Magnesium in PDB 3tji: Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg
Protein crystallography data
The structure of Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg, PDB code: 3tji
was solved by
M.W.Vetting,
R.Toro,
R.Bhosle,
S.R.Wasserman,
L.L.Morisco,
B.Hillerich,
E.Washington,
A.Scott Glenn,
S.Chowdhury,
B.Evans,
J.Hammonds,
W.D.Zencheck,
H.J.Imker,
J.A.Gerlt,
S.C.Almo,
Enzyme Function Initiative(Efi),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
128.80 /
1.80
|
Space group
|
P 42 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
182.150,
182.150,
104.800,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
25.2 /
28.2
|
Other elements in 3tji:
The structure of Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg
(pdb code 3tji). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the
Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg, PDB code: 3tji:
Jump to Magnesium binding site number:
1;
2;
3;
4;
Magnesium binding site 1 out
of 4 in 3tji
Go back to
Magnesium Binding Sites List in 3tji
Magnesium binding site 1 out
of 4 in the Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg
 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 From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg601
b:12.7
occ:1.00
|
OE2
|
A:GLU231
|
2.1
|
14.0
|
1.0
|
OE1
|
A:GLU257
|
2.1
|
6.9
|
1.0
|
O
|
A:HOH460
|
2.1
|
5.4
|
1.0
|
O
|
A:HOH461
|
2.1
|
5.7
|
1.0
|
O
|
A:HOH436
|
2.1
|
9.4
|
1.0
|
OD2
|
A:ASP205
|
2.2
|
9.4
|
1.0
|
CD
|
A:GLU257
|
2.9
|
9.9
|
1.0
|
CD
|
A:GLU231
|
3.1
|
13.2
|
1.0
|
OE2
|
A:GLU257
|
3.2
|
8.4
|
1.0
|
CG
|
A:ASP205
|
3.2
|
8.0
|
1.0
|
OD1
|
A:ASP205
|
3.6
|
7.7
|
1.0
|
OE1
|
A:GLU231
|
3.8
|
11.8
|
1.0
|
NH2
|
A:ARG278
|
3.8
|
11.5
|
1.0
|
O
|
A:HOH682
|
4.1
|
8.0
|
1.0
|
CG
|
A:GLU231
|
4.1
|
10.6
|
1.0
|
O
|
A:HOH410
|
4.1
|
3.5
|
1.0
|
O
|
A:HOH531
|
4.1
|
7.0
|
1.0
|
O
|
A:HOH511
|
4.2
|
10.4
|
1.0
|
CG
|
A:GLU257
|
4.3
|
7.1
|
1.0
|
CD2
|
A:HIS207
|
4.3
|
14.4
|
1.0
|
O
|
A:HOH620
|
4.4
|
17.6
|
1.0
|
NE2
|
A:HIS307
|
4.4
|
11.2
|
1.0
|
OD2
|
A:ASP232
|
4.5
|
15.1
|
1.0
|
CB
|
A:ASP205
|
4.5
|
8.3
|
1.0
|
CD2
|
A:HIS307
|
4.7
|
10.6
|
1.0
|
CZ
|
A:ARG278
|
4.8
|
14.6
|
1.0
|
NE
|
A:ARG278
|
4.9
|
15.2
|
1.0
|
NE2
|
A:HIS207
|
4.9
|
16.4
|
1.0
|
CB
|
A:GLU257
|
4.9
|
8.3
|
1.0
|
CG
|
A:ASP232
|
5.0
|
11.8
|
1.0
|
OH
|
C:TYR79
|
5.0
|
12.2
|
1.0
|
|
Magnesium binding site 2 out
of 4 in 3tji
Go back to
Magnesium Binding Sites List in 3tji
Magnesium binding site 2 out
of 4 in the Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg
 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 From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg601
b:12.4
occ:1.00
|
O
|
B:HOH542
|
2.0
|
5.9
|
1.0
|
OE1
|
B:GLU257
|
2.1
|
7.0
|
1.0
|
OE2
|
B:GLU231
|
2.1
|
13.5
|
1.0
|
O
|
B:HOH473
|
2.1
|
8.4
|
1.0
|
OD2
|
B:ASP205
|
2.1
|
9.0
|
1.0
|
O
|
B:HOH412
|
2.2
|
5.4
|
1.0
|
CD
|
B:GLU257
|
2.9
|
9.2
|
1.0
|
CG
|
B:ASP205
|
3.1
|
9.1
|
1.0
|
CD
|
B:GLU231
|
3.1
|
11.6
|
1.0
|
OE2
|
B:GLU257
|
3.2
|
9.1
|
1.0
|
OD1
|
B:ASP205
|
3.5
|
7.9
|
1.0
|
OE1
|
B:GLU231
|
3.8
|
11.5
|
1.0
|
NH2
|
B:ARG278
|
3.9
|
13.4
|
1.0
|
O
|
B:HOH463
|
4.0
|
4.8
|
1.0
|
CG
|
B:GLU231
|
4.1
|
9.8
|
1.0
|
O
|
B:HOH462
|
4.1
|
8.4
|
1.0
|
O
|
B:HOH441
|
4.2
|
6.7
|
1.0
|
CG
|
B:GLU257
|
4.3
|
8.0
|
1.0
|
CD2
|
B:HIS207
|
4.3
|
14.1
|
1.0
|
OD2
|
B:ASP232
|
4.3
|
16.3
|
1.0
|
O
|
B:HOH541
|
4.4
|
9.7
|
1.0
|
CB
|
B:ASP205
|
4.4
|
8.5
|
1.0
|
O
|
B:HOH573
|
4.5
|
15.4
|
1.0
|
NE2
|
B:HIS307
|
4.5
|
9.8
|
1.0
|
CD2
|
B:HIS307
|
4.7
|
9.1
|
1.0
|
CG
|
B:ASP232
|
4.9
|
12.9
|
1.0
|
NE2
|
B:HIS207
|
4.9
|
15.4
|
1.0
|
CZ
|
B:ARG278
|
4.9
|
14.7
|
1.0
|
OH
|
D:TYR79
|
4.9
|
12.6
|
1.0
|
CB
|
B:GLU257
|
5.0
|
9.0
|
1.0
|
|
Magnesium binding site 3 out
of 4 in 3tji
Go back to
Magnesium Binding Sites List in 3tji
Magnesium binding site 3 out
of 4 in the Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg
 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 From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg601
b:11.1
occ:1.00
|
O
|
C:HOH405
|
1.9
|
6.9
|
1.0
|
OE1
|
C:GLU257
|
2.1
|
8.8
|
1.0
|
O
|
C:HOH458
|
2.1
|
2.0
|
1.0
|
OD2
|
C:ASP205
|
2.2
|
11.0
|
1.0
|
OE2
|
C:GLU231
|
2.2
|
12.6
|
1.0
|
O
|
C:HOH438
|
2.2
|
8.4
|
1.0
|
CD
|
C:GLU257
|
3.0
|
10.4
|
1.0
|
CG
|
C:ASP205
|
3.1
|
8.6
|
1.0
|
CD
|
C:GLU231
|
3.1
|
12.9
|
1.0
|
OE2
|
C:GLU257
|
3.2
|
10.0
|
1.0
|
OD1
|
C:ASP205
|
3.5
|
9.4
|
1.0
|
O
|
C:HOH459
|
3.7
|
9.2
|
1.0
|
OE1
|
C:GLU231
|
3.7
|
12.5
|
1.0
|
NH2
|
C:ARG278
|
3.9
|
11.9
|
1.0
|
O
|
C:HOH417
|
4.2
|
3.2
|
1.0
|
CG
|
C:GLU231
|
4.2
|
10.3
|
1.0
|
O
|
C:HOH587
|
4.2
|
11.5
|
1.0
|
CD2
|
C:HIS207
|
4.2
|
13.5
|
1.0
|
O
|
C:HOH614
|
4.3
|
15.2
|
1.0
|
O
|
C:HOH498
|
4.3
|
16.5
|
1.0
|
CG
|
C:GLU257
|
4.3
|
8.2
|
1.0
|
CB
|
C:ASP205
|
4.4
|
8.4
|
1.0
|
NE2
|
C:HIS307
|
4.6
|
13.1
|
1.0
|
OD2
|
C:ASP232
|
4.7
|
15.3
|
1.0
|
NE2
|
C:HIS207
|
4.8
|
15.4
|
1.0
|
CD2
|
C:HIS307
|
4.8
|
12.0
|
1.0
|
CZ
|
C:ARG278
|
4.9
|
14.8
|
1.0
|
CB
|
C:GLU257
|
4.9
|
8.6
|
1.0
|
OH
|
A:TYR79
|
4.9
|
11.8
|
1.0
|
NE
|
C:ARG278
|
5.0
|
16.2
|
1.0
|
|
Magnesium binding site 4 out
of 4 in 3tji
Go back to
Magnesium Binding Sites List in 3tji
Magnesium binding site 4 out
of 4 in the Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg
 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 From Enterobacter Sp. 638 (Efi Target Efi-501662) with Bound Mg within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg601
b:10.7
occ:1.00
|
O
|
D:HOH437
|
2.1
|
8.9
|
1.0
|
OD2
|
D:ASP205
|
2.1
|
9.8
|
1.0
|
OE1
|
D:GLU257
|
2.1
|
8.9
|
1.0
|
O
|
D:HOH546
|
2.1
|
2.0
|
1.0
|
O
|
D:HOH426
|
2.1
|
7.1
|
1.0
|
OE2
|
D:GLU231
|
2.2
|
13.5
|
1.0
|
CD
|
D:GLU257
|
3.0
|
8.7
|
1.0
|
CG
|
D:ASP205
|
3.1
|
9.8
|
1.0
|
CD
|
D:GLU231
|
3.2
|
12.8
|
1.0
|
OE2
|
D:GLU257
|
3.3
|
10.3
|
1.0
|
OD1
|
D:ASP205
|
3.4
|
9.9
|
1.0
|
OE1
|
D:GLU231
|
3.8
|
14.4
|
1.0
|
NH2
|
D:ARG278
|
3.9
|
14.8
|
1.0
|
O
|
D:HOH458
|
3.9
|
6.9
|
1.0
|
O
|
D:HOH560
|
4.0
|
6.7
|
1.0
|
CG
|
D:GLU231
|
4.2
|
10.4
|
1.0
|
O
|
D:HOH435
|
4.2
|
5.4
|
1.0
|
CD2
|
D:HIS207
|
4.2
|
12.5
|
1.0
|
O
|
D:HOH745
|
4.3
|
10.3
|
1.0
|
CG
|
D:GLU257
|
4.3
|
8.6
|
1.0
|
CB
|
D:ASP205
|
4.4
|
8.6
|
1.0
|
O
|
D:HOH504
|
4.4
|
20.0
|
1.0
|
NE2
|
D:HIS307
|
4.6
|
10.0
|
1.0
|
OD2
|
D:ASP232
|
4.7
|
14.1
|
1.0
|
CD2
|
D:HIS307
|
4.8
|
8.8
|
1.0
|
NE2
|
D:HIS207
|
4.8
|
14.1
|
1.0
|
OH
|
B:TYR79
|
4.9
|
10.6
|
1.0
|
CZ
|
D:ARG278
|
4.9
|
14.4
|
1.0
|
CB
|
D:GLU257
|
5.0
|
8.6
|
1.0
|
CG
|
D:ASP232
|
5.0
|
10.5
|
1.0
|
|
Reference:
M.W.Vetting,
R.Toro,
R.Bhosle,
S.R.Wasserman,
L.L.Morisco,
B.Hillerich,
E.Washington,
A.Scott Glenn,
S.Chowdhury,
B.Evans,
J.Hammonds,
W.D.Zencheck,
H.J.Imker,
J.A.Gerlt,
S.C.Almo,
Enzyme Function Initiative (Efi).
Crystal Structure of An Enolase From Enterobacter Sp. 638 (Efi Target Efi-501662) with Boung Mg To Be Published.
Page generated: Thu Aug 15 12:09:00 2024
|