Magnesium in PDB 4mgg: Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121
Protein crystallography data
The structure of Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121, PDB code: 4mgg
was solved by
M.W.Vetting,
X.Zhang,
S.R.Wasserman,
L.L.Morisco,
S.Sojitra,
J.B.Bonanno,
J.A.Gerlt,
S.C.Almo,
New York Structural Genomics Research Consortium(Nysgrc),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
40.81 /
2.20
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
110.313,
154.897,
181.983,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
15 /
21.6
|
Other elements in 4mgg:
The structure of Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121 also contains other interesting chemical elements:
Magnesium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
17;
Binding sites:
The binding sites of Magnesium atom in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121
(pdb code 4mgg). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 17 binding sites of Magnesium where determined in the
Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121, PDB code: 4mgg:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Magnesium binding site 1 out
of 17 in 4mgg
Go back to
Magnesium Binding Sites List in 4mgg
Magnesium binding site 1 out
of 17 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg403
b:19.6
occ:1.00
|
O
|
A:HOH797
|
2.0
|
13.0
|
1.0
|
|
O
|
A:HOH507
|
2.0
|
22.0
|
1.0
|
|
O
|
A:HOH506
|
2.1
|
9.6
|
1.0
|
|
O
|
E:HOH804
|
2.1
|
17.0
|
1.0
|
|
O
|
A:HOH505
|
2.1
|
10.3
|
1.0
|
|
O
|
A:GLY197
|
2.1
|
14.1
|
1.0
|
|
C
|
A:GLY197
|
3.2
|
16.4
|
1.0
|
|
HA
|
A:TRP198
|
3.5
|
12.5
|
1.0
|
|
HA2
|
A:GLY197
|
3.8
|
13.9
|
1.0
|
|
OE2
|
E:GLU314
|
4.0
|
28.9
|
1.0
|
|
OE1
|
A:GLU202
|
4.0
|
20.1
|
1.0
|
|
CA
|
A:GLY197
|
4.0
|
11.6
|
1.0
|
|
O
|
A:GLY167
|
4.1
|
12.2
|
1.0
|
|
O
|
A:HOH690
|
4.2
|
48.2
|
1.0
|
|
HA3
|
A:GLY197
|
4.2
|
13.9
|
1.0
|
|
N
|
A:TRP198
|
4.2
|
14.3
|
1.0
|
|
HD1
|
A:TRP198
|
4.2
|
20.7
|
1.0
|
|
OD1
|
A:ASN24
|
4.3
|
39.4
|
1.0
|
|
O
|
A:HOH553
|
4.3
|
22.0
|
1.0
|
|
CA
|
A:TRP198
|
4.3
|
10.4
|
1.0
|
|
OE1
|
E:GLU314
|
4.3
|
38.5
|
1.0
|
|
O
|
A:HOH550
|
4.3
|
23.2
|
1.0
|
|
OE2
|
A:GLU202
|
4.3
|
15.5
|
1.0
|
|
O
|
A:GLY168
|
4.4
|
11.3
|
1.0
|
|
H
|
A:ASN24
|
4.6
|
18.3
|
1.0
|
|
CD
|
E:GLU314
|
4.6
|
38.8
|
1.0
|
|
CD
|
A:GLU202
|
4.6
|
14.9
|
1.0
|
|
H
|
A:THR199
|
4.6
|
19.7
|
1.0
|
|
HA
|
A:ASN24
|
4.6
|
18.9
|
1.0
|
|
HA2
|
A:GLY168
|
4.8
|
13.0
|
1.0
|
|
C
|
A:GLY167
|
4.9
|
18.5
|
1.0
|
|
H
|
A:TRP198
|
5.0
|
17.2
|
1.0
|
|
CD1
|
A:TRP198
|
5.0
|
17.2
|
1.0
|
|
Magnesium binding site 2 out
of 17 in 4mgg
Go back to
Magnesium Binding Sites List in 4mgg
Magnesium binding site 2 out
of 17 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg404
b:18.6
occ:1.00
|
O
|
A:HOH512
|
1.9
|
19.7
|
1.0
|
|
OE2
|
A:GLU218
|
2.0
|
16.0
|
1.0
|
|
OD2
|
A:ASP241
|
2.1
|
19.1
|
1.0
|
|
O
|
A:HOH511
|
2.1
|
17.4
|
1.0
|
|
O
|
A:HOH510
|
2.2
|
18.2
|
1.0
|
|
OD2
|
A:ASP193
|
2.2
|
12.7
|
1.0
|
|
HD21
|
A:ASN263
|
2.9
|
35.4
|
1.0
|
|
HZ1
|
A:LYS265
|
3.0
|
30.8
|
1.0
|
|
CG
|
A:ASP193
|
3.0
|
13.1
|
1.0
|
|
CD
|
A:GLU218
|
3.2
|
25.9
|
1.0
|
|
CG
|
A:ASP241
|
3.2
|
18.0
|
1.0
|
|
OD1
|
A:ASP193
|
3.3
|
11.7
|
1.0
|
|
ND2
|
A:ASN263
|
3.4
|
29.5
|
1.0
|
|
HD22
|
A:ASN263
|
3.5
|
35.4
|
1.0
|
|
HG2
|
A:GLU218
|
3.6
|
10.8
|
1.0
|
|
HB2
|
A:ASP241
|
3.7
|
18.8
|
1.0
|
|
NZ
|
A:LYS265
|
3.8
|
25.6
|
1.0
|
|
HZ3
|
A:LYS165
|
3.8
|
26.8
|
1.0
|
|
HZ3
|
A:LYS265
|
3.8
|
30.8
|
1.0
|
|
CB
|
A:ASP241
|
3.9
|
15.7
|
1.0
|
|
HB3
|
A:ASP241
|
3.9
|
18.8
|
1.0
|
|
CG
|
A:GLU218
|
4.0
|
9.0
|
1.0
|
|
OE1
|
A:GLN163
|
4.0
|
27.0
|
1.0
|
|
HZ1
|
A:LYS165
|
4.0
|
26.8
|
1.0
|
|
OE2
|
A:GLU292
|
4.0
|
26.5
|
1.0
|
|
OD1
|
A:ASN195
|
4.1
|
52.5
|
1.0
|
|
OE1
|
A:GLU218
|
4.1
|
23.2
|
1.0
|
|
HZ2
|
A:LYS165
|
4.2
|
26.8
|
1.0
|
|
NZ
|
A:LYS165
|
4.2
|
22.3
|
1.0
|
|
OE1
|
A:GLU242
|
4.2
|
20.9
|
1.0
|
|
OD1
|
A:ASP241
|
4.2
|
17.3
|
1.0
|
|
HZ2
|
A:LYS265
|
4.2
|
30.8
|
1.0
|
|
HB2
|
A:ASP193
|
4.3
|
11.1
|
1.0
|
|
CB
|
A:ASP193
|
4.3
|
9.3
|
1.0
|
|
OE2
|
A:GLU242
|
4.3
|
27.6
|
1.0
|
|
HG3
|
A:GLU218
|
4.4
|
10.8
|
1.0
|
|
CG
|
A:ASN263
|
4.5
|
27.2
|
1.0
|
|
HB2
|
A:ASN263
|
4.5
|
23.2
|
1.0
|
|
HE2
|
A:LYS265
|
4.5
|
23.9
|
1.0
|
|
CD
|
A:GLN163
|
4.6
|
31.0
|
1.0
|
|
CD
|
A:GLU242
|
4.7
|
20.7
|
1.0
|
|
HE22
|
A:GLN163
|
4.7
|
35.5
|
1.0
|
|
HB3
|
A:ASP193
|
4.7
|
11.1
|
1.0
|
|
CE
|
A:LYS265
|
4.7
|
19.9
|
1.0
|
|
HB3
|
A:ASN263
|
4.8
|
23.2
|
1.0
|
|
HA
|
A:ASN195
|
4.8
|
17.2
|
1.0
|
|
CB
|
A:ASN263
|
4.8
|
19.4
|
1.0
|
|
HB2
|
A:GLN219
|
4.9
|
11.8
|
1.0
|
|
HE3
|
A:LYS265
|
4.9
|
23.9
|
1.0
|
|
NE2
|
A:GLN163
|
4.9
|
29.6
|
1.0
|
|
H
|
A:ASN195
|
5.0
|
14.7
|
1.0
|
|
HB3
|
A:GLN219
|
5.0
|
11.8
|
1.0
|
|
Magnesium binding site 3 out
of 17 in 4mgg
Go back to
Magnesium Binding Sites List in 4mgg
Magnesium binding site 3 out
of 17 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg401
b:21.1
occ:1.00
|
O
|
B:HOH721
|
2.0
|
16.9
|
1.0
|
|
OE2
|
B:GLU218
|
2.0
|
24.1
|
1.0
|
|
O
|
B:HOH806
|
2.0
|
17.3
|
1.0
|
|
O
|
B:HOH501
|
2.1
|
20.5
|
1.0
|
|
OD2
|
B:ASP193
|
2.1
|
18.1
|
1.0
|
|
OD2
|
B:ASP241
|
2.1
|
18.2
|
1.0
|
|
CG
|
B:ASP193
|
3.0
|
11.9
|
1.0
|
|
HD21
|
B:ASN263
|
3.0
|
36.6
|
1.0
|
|
CG
|
B:ASP241
|
3.2
|
21.2
|
1.0
|
|
HZ1
|
B:LYS265
|
3.2
|
38.2
|
1.0
|
|
CD
|
B:GLU218
|
3.2
|
15.1
|
1.0
|
|
OD1
|
B:ASP193
|
3.3
|
13.6
|
1.0
|
|
ND2
|
B:ASN263
|
3.5
|
30.5
|
1.0
|
|
HD22
|
B:ASN263
|
3.5
|
36.6
|
1.0
|
|
HG2
|
B:GLU218
|
3.6
|
12.5
|
1.0
|
|
HZ3
|
B:LYS165
|
3.6
|
30.8
|
1.0
|
|
HB2
|
B:ASP241
|
3.6
|
11.9
|
1.0
|
|
HB3
|
B:ASP241
|
3.6
|
11.9
|
1.0
|
|
CB
|
B:ASP241
|
3.7
|
9.9
|
1.0
|
|
OE1
|
B:GLN163
|
4.0
|
31.6
|
1.0
|
|
CG
|
B:GLU218
|
4.0
|
10.4
|
1.0
|
|
HZ1
|
B:LYS165
|
4.0
|
30.8
|
1.0
|
|
NZ
|
B:LYS265
|
4.1
|
31.9
|
1.0
|
|
OE1
|
B:GLU242
|
4.1
|
23.8
|
1.0
|
|
OE2
|
B:GLU242
|
4.1
|
36.0
|
1.0
|
|
OD1
|
B:ASN195
|
4.2
|
39.3
|
1.0
|
|
OE1
|
B:GLU218
|
4.2
|
16.6
|
1.0
|
|
OD1
|
B:ASP241
|
4.2
|
24.0
|
1.0
|
|
HZ3
|
B:LYS265
|
4.2
|
38.2
|
1.0
|
|
NZ
|
B:LYS165
|
4.2
|
25.6
|
1.0
|
|
HB2
|
B:ASP193
|
4.2
|
16.5
|
1.0
|
|
CB
|
B:ASP193
|
4.2
|
13.7
|
1.0
|
|
HE22
|
B:GLN163
|
4.3
|
51.6
|
1.0
|
|
OE2
|
B:GLU292
|
4.3
|
23.6
|
1.0
|
|
HZ2
|
B:LYS265
|
4.5
|
38.2
|
1.0
|
|
HZ2
|
B:LYS165
|
4.5
|
30.8
|
1.0
|
|
CG
|
B:ASN263
|
4.5
|
32.4
|
1.0
|
|
HG3
|
B:GLU218
|
4.5
|
12.5
|
1.0
|
|
CD
|
B:GLU242
|
4.6
|
31.6
|
1.0
|
|
HB2
|
B:ASN263
|
4.6
|
19.5
|
1.0
|
|
HB3
|
B:ASP193
|
4.7
|
16.5
|
1.0
|
|
CD
|
B:GLN163
|
4.7
|
37.4
|
1.0
|
|
HA
|
B:ASN195
|
4.7
|
20.8
|
1.0
|
|
NE2
|
B:GLN163
|
4.8
|
43.0
|
1.0
|
|
HB3
|
B:GLN219
|
4.8
|
19.5
|
1.0
|
|
HE2
|
B:LYS265
|
4.8
|
35.2
|
1.0
|
|
H
|
B:ASN195
|
4.9
|
13.1
|
1.0
|
|
HB2
|
B:GLN219
|
4.9
|
19.5
|
1.0
|
|
HB3
|
B:ASN263
|
5.0
|
19.5
|
1.0
|
|
CE
|
B:LYS265
|
5.0
|
29.3
|
1.0
|
|
CB
|
B:ASN263
|
5.0
|
16.3
|
1.0
|
|
Magnesium binding site 4 out
of 17 in 4mgg
Go back to
Magnesium Binding Sites List in 4mgg
Magnesium binding site 4 out
of 17 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg402
b:21.2
occ:1.00
|
O
|
B:HOH505
|
2.0
|
13.2
|
1.0
|
|
O
|
B:HOH503
|
2.1
|
15.5
|
1.0
|
|
O
|
B:HOH504
|
2.1
|
15.2
|
1.0
|
|
O
|
B:GLY197
|
2.1
|
16.3
|
1.0
|
|
O
|
B:HOH506
|
2.1
|
17.6
|
1.0
|
|
O
|
D:HOH503
|
2.1
|
16.4
|
1.0
|
|
C
|
B:GLY197
|
3.2
|
19.6
|
1.0
|
|
HA
|
B:TRP198
|
3.6
|
23.7
|
1.0
|
|
HA2
|
B:GLY197
|
3.8
|
23.5
|
1.0
|
|
O
|
B:HOH610
|
3.9
|
40.7
|
1.0
|
|
CA
|
B:GLY197
|
4.0
|
19.6
|
1.0
|
|
HA3
|
B:GLY197
|
4.1
|
23.5
|
1.0
|
|
OE1
|
B:GLU202
|
4.2
|
23.4
|
1.0
|
|
N
|
B:TRP198
|
4.2
|
21.2
|
1.0
|
|
O
|
B:HOH528
|
4.2
|
13.8
|
1.0
|
|
OE2
|
D:GLU314
|
4.2
|
35.9
|
1.0
|
|
O
|
B:GLY167
|
4.2
|
19.9
|
1.0
|
|
O
|
B:GLY168
|
4.3
|
17.6
|
1.0
|
|
HD1
|
B:TRP198
|
4.3
|
15.2
|
1.0
|
|
CA
|
B:TRP198
|
4.3
|
19.8
|
1.0
|
|
OD1
|
B:ASN24
|
4.4
|
38.5
|
1.0
|
|
OE2
|
B:GLU202
|
4.4
|
25.9
|
1.0
|
|
O
|
B:HOH674
|
4.5
|
39.2
|
1.0
|
|
OE1
|
D:GLU314
|
4.5
|
59.2
|
1.0
|
|
O
|
D:HOH634
|
4.6
|
38.5
|
1.0
|
|
H
|
B:THR199
|
4.6
|
19.8
|
1.0
|
|
CD
|
B:GLU202
|
4.7
|
22.6
|
1.0
|
|
CD
|
D:GLU314
|
4.8
|
51.0
|
1.0
|
|
HA2
|
B:GLY168
|
4.8
|
17.1
|
1.0
|
|
HA
|
B:ASN24
|
4.8
|
31.1
|
1.0
|
|
H
|
B:ASN24
|
4.9
|
31.6
|
1.0
|
|
H
|
B:TRP198
|
5.0
|
25.4
|
1.0
|
|
Magnesium binding site 5 out
of 17 in 4mgg
Go back to
Magnesium Binding Sites List in 4mgg
Magnesium binding site 5 out
of 17 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg402
b:19.7
occ:1.00
|
O
|
C:HOH730
|
2.1
|
17.5
|
1.0
|
|
O
|
C:GLY197
|
2.1
|
13.8
|
1.0
|
|
O
|
G:HOH506
|
2.1
|
14.0
|
1.0
|
|
O
|
C:HOH663
|
2.1
|
11.8
|
1.0
|
|
O
|
C:HOH503
|
2.1
|
18.4
|
1.0
|
|
O
|
C:HOH504
|
2.2
|
18.4
|
1.0
|
|
C
|
C:GLY197
|
3.2
|
10.8
|
1.0
|
|
HA
|
C:TRP198
|
3.4
|
16.6
|
1.0
|
|
HA2
|
C:GLY197
|
3.8
|
12.9
|
1.0
|
|
OE1
|
G:GLU314
|
4.0
|
50.6
|
1.0
|
|
OE2
|
G:GLU314
|
4.0
|
29.1
|
1.0
|
|
O
|
C:HOH544
|
4.0
|
21.8
|
1.0
|
|
CA
|
C:GLY197
|
4.0
|
10.8
|
1.0
|
|
OE1
|
C:GLU202
|
4.0
|
15.0
|
1.0
|
|
N
|
C:TRP198
|
4.0
|
13.8
|
1.0
|
|
O
|
C:GLY167
|
4.1
|
13.9
|
1.0
|
|
CA
|
C:TRP198
|
4.1
|
13.9
|
1.0
|
|
HA3
|
C:GLY197
|
4.2
|
12.9
|
1.0
|
|
OD1
|
C:ASN24
|
4.2
|
62.3
|
1.0
|
|
HD1
|
C:TRP198
|
4.2
|
18.1
|
1.0
|
|
O
|
C:GLY168
|
4.3
|
19.7
|
1.0
|
|
OE2
|
C:GLU202
|
4.3
|
13.3
|
1.0
|
|
CD
|
G:GLU314
|
4.4
|
39.4
|
1.0
|
|
H
|
C:THR199
|
4.5
|
13.0
|
1.0
|
|
CD
|
C:GLU202
|
4.6
|
11.9
|
1.0
|
|
O
|
C:HOH536
|
4.7
|
20.2
|
1.0
|
|
O
|
G:HOH572
|
4.7
|
22.1
|
1.0
|
|
HA
|
C:ASN24
|
4.7
|
22.6
|
1.0
|
|
HA2
|
C:GLY168
|
4.8
|
20.4
|
1.0
|
|
C
|
C:TRP198
|
4.8
|
15.1
|
1.0
|
|
HG23
|
C:THR199
|
4.9
|
26.6
|
1.0
|
|
H
|
C:TRP198
|
4.9
|
16.6
|
1.0
|
|
C
|
C:GLY167
|
4.9
|
17.1
|
1.0
|
|
N
|
C:THR199
|
4.9
|
10.8
|
1.0
|
|
Magnesium binding site 6 out
of 17 in 4mgg
Go back to
Magnesium Binding Sites List in 4mgg
Magnesium binding site 6 out
of 17 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg403
b:22.5
occ:1.00
|
OD2
|
C:ASP241
|
2.0
|
21.0
|
1.0
|
|
O
|
C:HOH740
|
2.1
|
17.3
|
1.0
|
|
O
|
C:HOH507
|
2.1
|
26.1
|
1.0
|
|
O
|
C:HOH508
|
2.1
|
36.0
|
1.0
|
|
OE2
|
C:GLU218
|
2.2
|
31.9
|
1.0
|
|
OD2
|
C:ASP193
|
2.2
|
16.6
|
1.0
|
|
HD21
|
C:ASN263
|
2.9
|
50.3
|
1.0
|
|
HZ1
|
C:LYS265
|
3.0
|
29.8
|
1.0
|
|
CG
|
C:ASP241
|
3.1
|
32.4
|
1.0
|
|
CG
|
C:ASP193
|
3.2
|
14.4
|
1.0
|
|
HD22
|
C:ASN195
|
3.3
|
35.3
|
1.0
|
|
CD
|
C:GLU218
|
3.4
|
33.1
|
1.0
|
|
ND2
|
C:ASN263
|
3.4
|
41.9
|
1.0
|
|
HB2
|
C:ASP241
|
3.5
|
17.6
|
1.0
|
|
OD1
|
C:ASP193
|
3.5
|
15.4
|
1.0
|
|
HD22
|
C:ASN263
|
3.5
|
50.3
|
1.0
|
|
HZ3
|
C:LYS265
|
3.5
|
29.8
|
1.0
|
|
NZ
|
C:LYS265
|
3.7
|
24.8
|
1.0
|
|
HB3
|
C:ASP241
|
3.7
|
17.6
|
1.0
|
|
CB
|
C:ASP241
|
3.7
|
14.7
|
1.0
|
|
HG2
|
C:GLU218
|
3.8
|
14.3
|
1.0
|
|
ND2
|
C:ASN195
|
3.8
|
29.4
|
1.0
|
|
HD21
|
C:ASN195
|
4.0
|
35.3
|
1.0
|
|
HZ3
|
C:LYS165
|
4.0
|
29.8
|
1.0
|
|
HZ2
|
C:LYS265
|
4.1
|
29.8
|
1.0
|
|
OE1
|
C:GLU242
|
4.1
|
28.4
|
1.0
|
|
HZ1
|
C:LYS165
|
4.1
|
29.8
|
1.0
|
|
OD1
|
C:ASP241
|
4.2
|
28.5
|
1.0
|
|
CG
|
C:GLU218
|
4.2
|
11.9
|
1.0
|
|
OE1
|
C:GLN163
|
4.2
|
31.4
|
1.0
|
|
OE2
|
C:GLU292
|
4.2
|
34.8
|
1.0
|
|
HB2
|
C:ASN263
|
4.3
|
35.3
|
1.0
|
|
OE1
|
C:GLU218
|
4.3
|
33.6
|
1.0
|
|
CG
|
C:ASN263
|
4.3
|
44.5
|
1.0
|
|
HE22
|
C:GLN163
|
4.4
|
37.9
|
1.0
|
|
NZ
|
C:LYS165
|
4.4
|
24.9
|
1.0
|
|
HZ2
|
C:LYS165
|
4.5
|
29.8
|
1.0
|
|
CB
|
C:ASP193
|
4.5
|
12.5
|
1.0
|
|
OE2
|
C:GLU242
|
4.5
|
42.3
|
1.0
|
|
HB2
|
C:ASP193
|
4.5
|
14.9
|
1.0
|
|
HG3
|
C:GLU218
|
4.6
|
14.3
|
1.0
|
|
HB3
|
C:ASN263
|
4.6
|
35.3
|
1.0
|
|
CD
|
C:GLU242
|
4.7
|
34.6
|
1.0
|
|
CB
|
C:ASN263
|
4.7
|
29.4
|
1.0
|
|
CG
|
C:ASN195
|
4.7
|
30.9
|
1.0
|
|
HE2
|
C:LYS265
|
4.7
|
37.2
|
1.0
|
|
CE
|
C:LYS265
|
4.8
|
31.0
|
1.0
|
|
CD
|
C:GLN163
|
4.8
|
39.7
|
1.0
|
|
HB3
|
C:GLN219
|
4.8
|
14.4
|
1.0
|
|
NE2
|
C:GLN163
|
4.9
|
31.6
|
1.0
|
|
HA
|
C:ASN195
|
4.9
|
22.4
|
1.0
|
|
HB3
|
C:ASP193
|
4.9
|
14.9
|
1.0
|
|
OD1
|
C:ASN195
|
4.9
|
33.3
|
1.0
|
|
HB2
|
C:GLN219
|
5.0
|
14.4
|
1.0
|
|
Magnesium binding site 7 out
of 17 in 4mgg
Go back to
Magnesium Binding Sites List in 4mgg
Magnesium binding site 7 out
of 17 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg402
b:26.0
occ:1.00
|
O
|
C:HOH505
|
2.0
|
28.1
|
1.0
|
|
O
|
D:HOH660
|
2.1
|
22.3
|
1.0
|
|
O
|
D:HOH505
|
2.1
|
20.7
|
1.0
|
|
O
|
D:HOH504
|
2.1
|
17.6
|
1.0
|
|
O
|
C:HOH506
|
2.1
|
19.1
|
1.0
|
|
O
|
D:GLY197
|
2.2
|
21.2
|
1.0
|
|
C
|
D:GLY197
|
3.3
|
20.3
|
1.0
|
|
HA
|
D:TRP198
|
3.6
|
25.7
|
1.0
|
|
HA2
|
D:GLY197
|
3.9
|
25.0
|
1.0
|
|
OE1
|
D:GLU202
|
4.0
|
29.5
|
1.0
|
|
O
|
D:GLY167
|
4.0
|
28.4
|
1.0
|
|
O
|
D:GLY168
|
4.1
|
36.1
|
1.0
|
|
OE2
|
C:GLU314
|
4.1
|
31.5
|
1.0
|
|
CA
|
D:GLY197
|
4.1
|
20.8
|
1.0
|
|
HA3
|
D:GLY197
|
4.2
|
25.0
|
1.0
|
|
OE1
|
C:GLU314
|
4.2
|
39.9
|
1.0
|
|
HD1
|
D:TRP198
|
4.3
|
24.4
|
1.0
|
|
OD1
|
D:ASN24
|
4.3
|
81.8
|
1.0
|
|
N
|
D:TRP198
|
4.3
|
20.0
|
1.0
|
|
O
|
D:HOH635
|
4.3
|
29.5
|
1.0
|
|
CA
|
D:TRP198
|
4.4
|
21.4
|
1.0
|
|
OE2
|
D:GLU202
|
4.4
|
35.6
|
1.0
|
|
O
|
D:HOH603
|
4.5
|
32.8
|
1.0
|
|
H
|
D:THR199
|
4.6
|
21.1
|
1.0
|
|
HA2
|
D:GLY168
|
4.6
|
42.3
|
1.0
|
|
CD
|
C:GLU314
|
4.6
|
38.2
|
1.0
|
|
CD
|
D:GLU202
|
4.6
|
30.5
|
1.0
|
|
C
|
D:GLY168
|
4.9
|
33.2
|
1.0
|
|
C
|
D:GLY167
|
4.9
|
26.7
|
1.0
|
|
H
|
D:ASN24
|
4.9
|
93.0
|
1.0
|
|
HA
|
D:ASN24
|
5.0
|
97.4
|
1.0
|
|
Magnesium binding site 8 out
of 17 in 4mgg
Go back to
Magnesium Binding Sites List in 4mgg
Magnesium binding site 8 out
of 17 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg403
b:48.2
occ:1.00
|
O
|
D:HOH512
|
2.1
|
25.9
|
1.0
|
|
O
|
D:HOH525
|
2.1
|
28.9
|
1.0
|
|
O
|
D:HOH540
|
2.1
|
27.9
|
1.0
|
|
OE2
|
D:GLU218
|
2.2
|
26.6
|
1.0
|
|
OD2
|
D:ASP241
|
2.2
|
32.3
|
1.0
|
|
OD2
|
D:ASP193
|
2.2
|
32.0
|
1.0
|
|
CG
|
D:ASP193
|
3.1
|
23.9
|
1.0
|
|
CG
|
D:ASP241
|
3.3
|
36.9
|
1.0
|
|
CD
|
D:GLU218
|
3.3
|
25.8
|
1.0
|
|
OD1
|
D:ASP193
|
3.3
|
21.8
|
1.0
|
|
HZ1
|
D:LYS265
|
3.3
|
39.7
|
1.0
|
|
HB2
|
D:ASP241
|
3.4
|
32.8
|
1.0
|
|
HG2
|
D:GLU218
|
3.5
|
24.6
|
1.0
|
|
OE1
|
D:GLN163
|
3.6
|
46.0
|
1.0
|
|
HB3
|
D:ASP241
|
3.7
|
32.8
|
1.0
|
|
CB
|
D:ASP241
|
3.7
|
27.4
|
1.0
|
|
OD1
|
D:ASN195
|
3.9
|
51.0
|
1.0
|
|
CG
|
D:GLU218
|
4.0
|
20.5
|
1.0
|
|
OD1
|
D:ASN263
|
4.0
|
52.2
|
1.0
|
|
HZ1
|
D:LYS165
|
4.1
|
49.5
|
1.0
|
|
OE1
|
D:GLU242
|
4.1
|
39.6
|
1.0
|
|
HZ3
|
D:LYS165
|
4.1
|
49.5
|
1.0
|
|
NZ
|
D:LYS265
|
4.1
|
33.1
|
1.0
|
|
OE2
|
D:GLU242
|
4.2
|
63.2
|
1.0
|
|
HZ3
|
D:LYS265
|
4.2
|
39.7
|
1.0
|
|
OE1
|
D:GLU218
|
4.3
|
38.7
|
1.0
|
|
CG
|
D:ASN263
|
4.3
|
46.7
|
1.0
|
|
HE2
|
D:LYS265
|
4.3
|
43.1
|
1.0
|
|
HB3
|
D:ASN263
|
4.4
|
28.8
|
1.0
|
|
OD1
|
D:ASP241
|
4.4
|
35.6
|
1.0
|
|
HG3
|
D:GLU218
|
4.4
|
24.6
|
1.0
|
|
CB
|
D:ASP193
|
4.5
|
21.5
|
1.0
|
|
NZ
|
D:LYS165
|
4.5
|
41.2
|
1.0
|
|
HB2
|
D:ASP193
|
4.5
|
25.8
|
1.0
|
|
HB2
|
D:ASN263
|
4.6
|
28.8
|
1.0
|
|
CD
|
D:GLU242
|
4.6
|
49.9
|
1.0
|
|
CD
|
D:GLN163
|
4.6
|
53.0
|
1.0
|
|
CB
|
D:ASN263
|
4.7
|
24.0
|
1.0
|
|
HA
|
D:ASN195
|
4.7
|
30.1
|
1.0
|
|
HB3
|
D:GLN219
|
4.7
|
27.1
|
1.0
|
|
CE
|
D:LYS265
|
4.7
|
35.9
|
1.0
|
|
HZ2
|
D:LYS265
|
4.7
|
39.7
|
1.0
|
|
OE2
|
D:GLU292
|
4.8
|
51.8
|
1.0
|
|
HB2
|
D:GLN219
|
4.8
|
27.1
|
1.0
|
|
ND2
|
D:ASN263
|
4.8
|
50.2
|
1.0
|
|
HE3
|
D:LYS265
|
4.9
|
43.1
|
1.0
|
|
HB3
|
D:ASP193
|
4.9
|
25.8
|
1.0
|
|
CG
|
D:ASN195
|
4.9
|
42.6
|
1.0
|
|
H
|
D:ASN195
|
4.9
|
36.6
|
1.0
|
|
HD22
|
D:ASN263
|
5.0
|
60.2
|
1.0
|
|
Magnesium binding site 9 out
of 17 in 4mgg
Go back to
Magnesium Binding Sites List in 4mgg
Magnesium binding site 9 out
of 17 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg401
b:20.8
occ:1.00
|
O
|
E:HOH1041
|
2.0
|
22.5
|
1.0
|
|
O
|
E:HOH806
|
2.0
|
15.8
|
1.0
|
|
O
|
H:HOH504
|
2.0
|
13.7
|
1.0
|
|
O
|
E:HOH807
|
2.1
|
14.7
|
1.0
|
|
O
|
E:HOH805
|
2.1
|
23.9
|
1.0
|
|
O
|
E:GLY197
|
2.3
|
15.6
|
1.0
|
|
C
|
E:GLY197
|
3.3
|
13.9
|
1.0
|
|
OD1
|
E:ASN24
|
3.6
|
44.2
|
1.0
|
|
HA2
|
E:GLY197
|
3.7
|
16.3
|
1.0
|
|
HA
|
E:TRP198
|
3.9
|
22.0
|
1.0
|
|
OE2
|
H:GLU314
|
3.9
|
37.1
|
1.0
|
|
O
|
E:HOH837
|
4.0
|
14.4
|
1.0
|
|
CA
|
E:GLY197
|
4.0
|
13.6
|
1.0
|
|
OE1
|
H:GLU314
|
4.1
|
51.7
|
1.0
|
|
HA3
|
E:GLY197
|
4.1
|
16.3
|
1.0
|
|
O
|
H:HOH647
|
4.2
|
38.6
|
1.0
|
|
OE1
|
E:GLU202
|
4.2
|
25.1
|
1.0
|
|
N
|
E:TRP198
|
4.3
|
17.2
|
1.0
|
|
O
|
E:GLY167
|
4.4
|
19.4
|
1.0
|
|
CD
|
H:GLU314
|
4.4
|
45.9
|
1.0
|
|
CG
|
E:ASN24
|
4.6
|
36.7
|
1.0
|
|
HA
|
E:ASN24
|
4.6
|
40.1
|
1.0
|
|
CA
|
E:TRP198
|
4.6
|
18.3
|
1.0
|
|
O
|
E:GLY168
|
4.6
|
27.5
|
1.0
|
|
H
|
E:ASN24
|
4.6
|
33.4
|
1.0
|
|
HD1
|
E:TRP198
|
4.6
|
19.1
|
1.0
|
|
OE2
|
E:GLU202
|
4.7
|
33.3
|
1.0
|
|
HD22
|
E:ASN24
|
4.8
|
41.8
|
1.0
|
|
CD
|
E:GLU202
|
4.9
|
20.6
|
1.0
|
|
H
|
E:THR199
|
4.9
|
16.6
|
1.0
|
|
HA2
|
E:GLY168
|
5.0
|
28.2
|
1.0
|
|
Magnesium binding site 10 out
of 17 in 4mgg
Go back to
Magnesium Binding Sites List in 4mgg
Magnesium binding site 10 out
of 17 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121
 Mono view
 Stereo pair view
|
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 10 of Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg402
b:26.0
occ:1.00
|
OE2
|
E:GLU218
|
2.0
|
27.8
|
1.0
|
|
O
|
E:HOH812
|
2.1
|
21.0
|
1.0
|
|
OD2
|
E:ASP193
|
2.1
|
18.4
|
1.0
|
|
O
|
E:HOH811
|
2.1
|
19.7
|
1.0
|
|
O
|
E:HOH810
|
2.1
|
30.8
|
1.0
|
|
OD2
|
E:ASP241
|
2.2
|
30.3
|
1.0
|
|
HD21
|
E:ASN263
|
2.9
|
42.5
|
1.0
|
|
HZ1
|
E:LYS265
|
2.9
|
36.3
|
1.0
|
|
CG
|
E:ASP193
|
3.0
|
19.8
|
1.0
|
|
CD
|
E:GLU218
|
3.2
|
20.8
|
1.0
|
|
CG
|
E:ASP241
|
3.3
|
29.7
|
1.0
|
|
ND2
|
E:ASN263
|
3.3
|
35.4
|
1.0
|
|
OD1
|
E:ASP193
|
3.3
|
20.6
|
1.0
|
|
HD22
|
E:ASN263
|
3.5
|
42.5
|
1.0
|
|
NZ
|
E:LYS265
|
3.7
|
30.2
|
1.0
|
|
HB2
|
E:ASP241
|
3.7
|
26.7
|
1.0
|
|
HG2
|
E:GLU218
|
3.7
|
12.8
|
1.0
|
|
HZ3
|
E:LYS265
|
3.8
|
36.3
|
1.0
|
|
HB3
|
E:ASP241
|
3.9
|
26.7
|
1.0
|
|
HZ3
|
E:LYS165
|
3.9
|
33.4
|
1.0
|
|
CB
|
E:ASP241
|
3.9
|
22.2
|
1.0
|
|
HZ1
|
E:LYS165
|
4.0
|
33.4
|
1.0
|
|
OE1
|
E:GLN163
|
4.0
|
31.8
|
1.0
|
|
CG
|
E:GLU218
|
4.1
|
10.7
|
1.0
|
|
OE1
|
E:GLU218
|
4.1
|
25.2
|
1.0
|
|
HZ2
|
E:LYS265
|
4.1
|
36.3
|
1.0
|
|
OD1
|
E:ASN195
|
4.2
|
42.4
|
1.0
|
|
OE1
|
E:GLU242
|
4.2
|
26.2
|
1.0
|
|
OE2
|
E:GLU292
|
4.2
|
49.9
|
1.0
|
|
HE22
|
E:GLN163
|
4.2
|
37.3
|
1.0
|
|
CB
|
E:ASP193
|
4.3
|
15.7
|
1.0
|
|
HB2
|
E:ASP193
|
4.3
|
18.8
|
1.0
|
|
CG
|
E:ASN263
|
4.3
|
41.9
|
1.0
|
|
NZ
|
E:LYS165
|
4.3
|
27.8
|
1.0
|
|
OD1
|
E:ASP241
|
4.4
|
29.5
|
1.0
|
|
HB2
|
E:ASN263
|
4.4
|
33.5
|
1.0
|
|
CD
|
E:GLN163
|
4.4
|
35.9
|
1.0
|
|
HE2
|
E:LYS265
|
4.5
|
44.2
|
1.0
|
|
NE2
|
E:GLN163
|
4.5
|
31.1
|
1.0
|
|
HZ2
|
E:LYS165
|
4.5
|
33.4
|
1.0
|
|
HG3
|
E:GLU218
|
4.6
|
12.8
|
1.0
|
|
HB3
|
E:ASN263
|
4.6
|
33.5
|
1.0
|
|
HB3
|
E:ASP193
|
4.6
|
18.8
|
1.0
|
|
CE
|
E:LYS265
|
4.6
|
36.9
|
1.0
|
|
OE2
|
E:GLU242
|
4.7
|
47.0
|
1.0
|
|
CB
|
E:ASN263
|
4.7
|
27.9
|
1.0
|
|
HA
|
E:ASN195
|
4.8
|
18.9
|
1.0
|
|
HE3
|
E:LYS265
|
4.8
|
44.2
|
1.0
|
|
CD
|
E:GLU242
|
4.9
|
38.2
|
1.0
|
|
H
|
E:ASN195
|
4.9
|
19.0
|
1.0
|
|
HB2
|
E:GLN219
|
4.9
|
16.6
|
1.0
|
|
HB3
|
E:GLN219
|
4.9
|
16.6
|
1.0
|
|
Reference:
M.W.Vetting,
X.Zhang,
S.R.Wasserman,
L.L.Morisco,
S.Sojitra,
J.B.Bonanno,
J.A.Gerlt,
S.C.Almo,
New York Structural Genomics Research Consortium (Nysgrc).
Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121 To Be Published.
Page generated: Mon Aug 19 23:12:43 2024
|
