Magnesium in PDB 3vc1: Crystal Structure of Geranyl Diphosphate C-Methyltransferase From Streptomyces Coelicolor A3(2) in Complex with MG2+, Geranyl-S- Thiolodiphosphate, and S-Adenosyl-L-Homocysteine
Protein crystallography data
The structure of Crystal Structure of Geranyl Diphosphate C-Methyltransferase From Streptomyces Coelicolor A3(2) in Complex with MG2+, Geranyl-S- Thiolodiphosphate, and S-Adenosyl-L-Homocysteine, PDB code: 3vc1
was solved by
M.Koksal,
D.W.Christianson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
46.28 /
1.82
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
97.029,
102.903,
203.582,
90.00,
99.59,
90.00
|
R / Rfree (%)
|
16.7 /
19.4
|
Magnesium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Magnesium atom in the Crystal Structure of Geranyl Diphosphate C-Methyltransferase From Streptomyces Coelicolor A3(2) in Complex with MG2+, Geranyl-S- Thiolodiphosphate, and S-Adenosyl-L-Homocysteine
(pdb code 3vc1). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 12 binding sites of Magnesium where determined in the
Crystal Structure of Geranyl Diphosphate C-Methyltransferase From Streptomyces Coelicolor A3(2) in Complex with MG2+, Geranyl-S- Thiolodiphosphate, and S-Adenosyl-L-Homocysteine, PDB code: 3vc1:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Magnesium binding site 1 out
of 12 in 3vc1
Go back to
Magnesium Binding Sites List in 3vc1
Magnesium binding site 1 out
of 12 in the Crystal Structure of Geranyl Diphosphate C-Methyltransferase From Streptomyces Coelicolor A3(2) in Complex with MG2+, Geranyl-S- Thiolodiphosphate, and S-Adenosyl-L-Homocysteine
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 Geranyl Diphosphate C-Methyltransferase From Streptomyces Coelicolor A3(2) in Complex with MG2+, Geranyl-S- Thiolodiphosphate, and S-Adenosyl-L-Homocysteine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg301
b:19.3
occ:1.00
|
O2B
|
A:GST303
|
2.0
|
17.8
|
1.0
|
OD1
|
A:ASN37
|
2.0
|
19.6
|
1.0
|
O
|
A:HOH402
|
2.1
|
19.2
|
1.0
|
O2A
|
A:GST303
|
2.1
|
18.9
|
1.0
|
O
|
A:HOH401
|
2.2
|
17.3
|
1.0
|
O
|
A:HOH403
|
2.2
|
16.3
|
1.0
|
CG
|
A:ASN37
|
3.1
|
19.7
|
1.0
|
PB
|
A:GST303
|
3.2
|
19.6
|
1.0
|
PA
|
A:GST303
|
3.3
|
20.0
|
1.0
|
O1B
|
A:GST303
|
3.5
|
19.1
|
1.0
|
ND2
|
A:ASN37
|
3.8
|
20.1
|
1.0
|
OE2
|
A:GLU81
|
3.9
|
16.0
|
1.0
|
O1A
|
A:GST303
|
4.0
|
23.9
|
1.0
|
NH1
|
A:ARG260
|
4.0
|
18.6
|
1.0
|
O
|
A:VAL36
|
4.2
|
20.7
|
1.0
|
OE1
|
A:GLU81
|
4.2
|
18.3
|
1.0
|
O
|
A:HIS50
|
4.3
|
17.9
|
1.0
|
O3B
|
A:GST303
|
4.3
|
22.6
|
1.0
|
CB
|
A:ASN37
|
4.3
|
20.2
|
1.0
|
O
|
A:HIS48
|
4.3
|
20.0
|
1.0
|
N
|
A:HIS50
|
4.4
|
17.0
|
1.0
|
CA
|
A:HIS49
|
4.4
|
17.9
|
1.0
|
S1
|
A:GST303
|
4.4
|
24.5
|
1.0
|
CD
|
A:GLU81
|
4.4
|
20.2
|
1.0
|
O3A
|
A:GST303
|
4.5
|
23.0
|
1.0
|
CA
|
A:ASN37
|
4.6
|
20.3
|
1.0
|
CG1
|
A:VAL36
|
4.6
|
18.0
|
1.0
|
CE1
|
A:TYR51
|
4.7
|
18.0
|
1.0
|
C
|
A:HIS49
|
4.7
|
18.7
|
1.0
|
C
|
A:VAL36
|
4.7
|
20.3
|
1.0
|
OH
|
A:TYR256
|
4.8
|
19.2
|
1.0
|
N
|
A:ASN37
|
4.8
|
19.8
|
1.0
|
ND1
|
A:HIS49
|
4.9
|
17.7
|
1.0
|
C
|
A:HIS50
|
4.9
|
16.9
|
1.0
|
CD1
|
A:TYR51
|
5.0
|
17.0
|
1.0
|
|
Magnesium binding site 2 out
of 12 in 3vc1
Go back to
Magnesium Binding Sites List in 3vc1
Magnesium binding site 2 out
of 12 in the Crystal Structure of Geranyl Diphosphate C-Methyltransferase From Streptomyces Coelicolor A3(2) in Complex with MG2+, Geranyl-S- Thiolodiphosphate, and S-Adenosyl-L-Homocysteine
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 Geranyl Diphosphate C-Methyltransferase From Streptomyces Coelicolor A3(2) in Complex with MG2+, Geranyl-S- Thiolodiphosphate, and S-Adenosyl-L-Homocysteine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg301
b:21.1
occ:1.00
|
O3B
|
B:GST303
|
2.0
|
18.3
|
1.0
|
O3A
|
B:GST303
|
2.0
|
18.5
|
1.0
|
OD1
|
B:ASN37
|
2.1
|
20.3
|
1.0
|
O
|
B:HOH403
|
2.2
|
16.8
|
1.0
|
O
|
B:HOH401
|
2.2
|
20.1
|
1.0
|
O
|
B:HOH402
|
2.2
|
18.7
|
1.0
|
PB
|
B:GST303
|
3.2
|
21.9
|
1.0
|
PA
|
B:GST303
|
3.2
|
21.4
|
1.0
|
CG
|
B:ASN37
|
3.2
|
21.8
|
1.0
|
O1B
|
B:GST303
|
3.5
|
24.0
|
1.0
|
O1A
|
B:GST303
|
3.9
|
24.4
|
1.0
|
OE2
|
B:GLU81
|
3.9
|
22.2
|
1.0
|
ND2
|
B:ASN37
|
3.9
|
21.8
|
1.0
|
NH1
|
B:ARG260
|
4.0
|
21.1
|
1.0
|
O2B
|
B:GST303
|
4.2
|
24.5
|
1.0
|
O
|
B:HIS50
|
4.2
|
23.1
|
1.0
|
OE1
|
B:GLU81
|
4.2
|
21.3
|
1.0
|
O
|
B:VAL36
|
4.3
|
21.1
|
1.0
|
CB
|
B:ASN37
|
4.3
|
22.3
|
1.0
|
O
|
B:HIS48
|
4.4
|
21.0
|
1.0
|
N
|
B:HIS50
|
4.4
|
17.9
|
1.0
|
O2A
|
B:GST303
|
4.4
|
25.0
|
1.0
|
CD
|
B:GLU81
|
4.4
|
21.5
|
1.0
|
CG1
|
B:VAL36
|
4.5
|
19.7
|
1.0
|
S1
|
B:GST303
|
4.5
|
28.5
|
1.0
|
CA
|
B:HIS49
|
4.5
|
17.9
|
1.0
|
CA
|
B:ASN37
|
4.6
|
22.1
|
1.0
|
C
|
B:VAL36
|
4.7
|
22.3
|
1.0
|
CE1
|
B:TYR51
|
4.7
|
21.6
|
1.0
|
C
|
B:HIS49
|
4.8
|
19.9
|
1.0
|
OH
|
B:TYR256
|
4.8
|
19.9
|
1.0
|
N
|
B:ASN37
|
4.9
|
20.0
|
1.0
|
ND1
|
B:HIS49
|
4.9
|
21.4
|
1.0
|
C
|
B:HIS50
|
5.0
|
20.2
|
1.0
|
|
Magnesium binding site 3 out
of 12 in 3vc1
Go back to
Magnesium Binding Sites List in 3vc1
Magnesium binding site 3 out
of 12 in the Crystal Structure of Geranyl Diphosphate C-Methyltransferase From Streptomyces Coelicolor A3(2) in Complex with MG2+, Geranyl-S- Thiolodiphosphate, and S-Adenosyl-L-Homocysteine
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 Geranyl Diphosphate C-Methyltransferase From Streptomyces Coelicolor A3(2) in Complex with MG2+, Geranyl-S- Thiolodiphosphate, and S-Adenosyl-L-Homocysteine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mg301
b:26.4
occ:1.00
|
O
|
C:HOH401
|
2.0
|
20.8
|
1.0
|
OD1
|
C:ASN37
|
2.0
|
26.4
|
1.0
|
O1A
|
C:GST303
|
2.0
|
24.5
|
1.0
|
O3B
|
C:GST303
|
2.1
|
22.1
|
1.0
|
O
|
C:HOH402
|
2.2
|
21.9
|
1.0
|
O
|
C:HOH403
|
2.3
|
22.2
|
1.0
|
CG
|
C:ASN37
|
3.2
|
24.4
|
1.0
|
PB
|
C:GST303
|
3.3
|
26.5
|
1.0
|
PA
|
C:GST303
|
3.3
|
25.0
|
1.0
|
O1B
|
C:GST303
|
3.6
|
30.0
|
1.0
|
ND2
|
C:ASN37
|
3.8
|
22.8
|
1.0
|
OE2
|
C:GLU81
|
3.9
|
22.2
|
1.0
|
NH1
|
C:ARG260
|
4.0
|
24.1
|
1.0
|
O2A
|
C:GST303
|
4.0
|
27.3
|
1.0
|
OE1
|
C:GLU81
|
4.1
|
23.2
|
1.0
|
O
|
C:VAL36
|
4.2
|
26.3
|
1.0
|
O
|
C:HIS50
|
4.3
|
20.2
|
1.0
|
CD
|
C:GLU81
|
4.3
|
20.5
|
1.0
|
CB
|
C:ASN37
|
4.4
|
23.1
|
1.0
|
O
|
C:HIS48
|
4.4
|
20.8
|
1.0
|
O2B
|
C:GST303
|
4.4
|
24.3
|
1.0
|
N
|
C:HIS50
|
4.5
|
19.0
|
1.0
|
O3A
|
C:GST303
|
4.5
|
27.0
|
1.0
|
CA
|
C:HIS49
|
4.5
|
21.1
|
1.0
|
S1
|
C:GST303
|
4.5
|
30.9
|
1.0
|
CG1
|
C:VAL36
|
4.5
|
27.2
|
1.0
|
CA
|
C:ASN37
|
4.6
|
27.4
|
1.0
|
OH
|
C:TYR256
|
4.6
|
22.1
|
1.0
|
CE1
|
C:TYR51
|
4.7
|
22.9
|
1.0
|
C
|
C:VAL36
|
4.7
|
26.7
|
1.0
|
C
|
C:HIS49
|
4.8
|
23.3
|
1.0
|
N
|
C:ASN37
|
4.8
|
25.3
|
1.0
|
C
|
C:HIS50
|
4.9
|
20.7
|
1.0
|
CD1
|
C:TYR51
|
5.0
|
22.5
|
1.0
|
|
Magnesium binding site 4 out
of 12 in 3vc1
Go back to
Magnesium Binding Sites List in 3vc1
Magnesium binding site 4 out
of 12 in the Crystal Structure of Geranyl Diphosphate C-Methyltransferase From Streptomyces Coelicolor A3(2) in Complex with MG2+, Geranyl-S- Thiolodiphosphate, and S-Adenosyl-L-Homocysteine
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 Geranyl Diphosphate C-Methyltransferase From Streptomyces Coelicolor A3(2) in Complex with MG2+, Geranyl-S- Thiolodiphosphate, and S-Adenosyl-L-Homocysteine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mg301
b:16.8
occ:1.00
|
O2B
|
D:GST303
|
1.9
|
18.1
|
1.0
|
O2A
|
D:GST303
|
2.0
|
18.2
|
1.0
|
OD1
|
D:ASN37
|
2.1
|
19.7
|
1.0
|
O
|
D:HOH401
|
2.1
|
17.6
|
1.0
|
O
|
D:HOH403
|
2.2
|
16.3
|
1.0
|
O
|
D:HOH402
|
2.2
|
16.3
|
1.0
|
PB
|
D:GST303
|
3.1
|
23.6
|
1.0
|
CG
|
D:ASN37
|
3.3
|
21.1
|
1.0
|
PA
|
D:GST303
|
3.3
|
21.2
|
1.0
|
O1B
|
D:GST303
|
3.4
|
21.5
|
1.0
|
ND2
|
D:ASN37
|
3.9
|
20.0
|
1.0
|
OE2
|
D:GLU81
|
3.9
|
19.5
|
1.0
|
NH1
|
D:ARG260
|
4.0
|
18.0
|
1.0
|
O1A
|
D:GST303
|
4.0
|
22.4
|
1.0
|
O3B
|
D:GST303
|
4.2
|
24.4
|
1.0
|
O
|
D:HIS50
|
4.2
|
19.8
|
1.0
|
OE1
|
D:GLU81
|
4.3
|
18.2
|
1.0
|
O
|
D:VAL36
|
4.3
|
20.2
|
1.0
|
S1
|
D:GST303
|
4.4
|
26.1
|
1.0
|
N
|
D:HIS50
|
4.4
|
18.3
|
1.0
|
O
|
D:HIS48
|
4.4
|
18.4
|
1.0
|
CB
|
D:ASN37
|
4.4
|
19.8
|
1.0
|
CA
|
D:HIS49
|
4.4
|
18.3
|
1.0
|
O3A
|
D:GST303
|
4.4
|
20.8
|
1.0
|
CG1
|
D:VAL36
|
4.5
|
22.1
|
1.0
|
CD
|
D:GLU81
|
4.5
|
20.3
|
1.0
|
CE1
|
D:TYR51
|
4.5
|
19.0
|
1.0
|
CA
|
D:ASN37
|
4.7
|
21.4
|
1.0
|
OH
|
D:TYR256
|
4.7
|
18.7
|
1.0
|
C
|
D:HIS49
|
4.7
|
19.8
|
1.0
|
C
|
D:VAL36
|
4.8
|
20.2
|
1.0
|
ND1
|
D:HIS49
|
4.9
|
19.1
|
1.0
|
CD1
|
D:TYR51
|
4.9
|
19.8
|
1.0
|
N
|
D:ASN37
|
5.0
|
19.9
|
1.0
|
C
|
D:HIS50
|
5.0
|
19.3
|
1.0
|
|
Magnesium binding site 5 out
of 12 in 3vc1
Go back to
Magnesium Binding Sites List in 3vc1
Magnesium binding site 5 out
of 12 in the Crystal Structure of Geranyl Diphosphate C-Methyltransferase From Streptomyces Coelicolor A3(2) in Complex with MG2+, Geranyl-S- Thiolodiphosphate, and S-Adenosyl-L-Homocysteine
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 Geranyl Diphosphate C-Methyltransferase From Streptomyces Coelicolor A3(2) in Complex with MG2+, Geranyl-S- Thiolodiphosphate, and S-Adenosyl-L-Homocysteine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mg301
b:20.2
occ:1.00
|
O1A
|
E:GST303
|
2.0
|
18.9
|
1.0
|
O3B
|
E:GST303
|
2.0
|
21.2
|
1.0
|
OD1
|
E:ASN37
|
2.1
|
19.1
|
1.0
|
O
|
E:HOH401
|
2.2
|
19.0
|
1.0
|
O
|
E:HOH402
|
2.2
|
20.2
|
1.0
|
O
|
E:HOH403
|
2.3
|
17.9
|
1.0
|
CG
|
E:ASN37
|
3.2
|
21.9
|
1.0
|
PB
|
E:GST303
|
3.2
|
21.0
|
1.0
|
PA
|
E:GST303
|
3.2
|
20.5
|
1.0
|
O1B
|
E:GST303
|
3.5
|
19.8
|
1.0
|
ND2
|
E:ASN37
|
3.7
|
19.4
|
1.0
|
OE2
|
E:GLU81
|
3.9
|
21.6
|
1.0
|
O2A
|
E:GST303
|
4.0
|
20.4
|
1.0
|
NH1
|
E:ARG260
|
4.1
|
19.2
|
1.0
|
O
|
E:HIS50
|
4.2
|
19.1
|
1.0
|
S1
|
E:GST303
|
4.3
|
22.1
|
1.0
|
O
|
E:VAL36
|
4.3
|
25.4
|
1.0
|
N
|
E:HIS50
|
4.3
|
18.3
|
1.0
|
OE1
|
E:GLU81
|
4.3
|
21.3
|
1.0
|
CG1
|
E:VAL36
|
4.4
|
19.7
|
1.0
|
CB
|
E:ASN37
|
4.4
|
21.5
|
1.0
|
O
|
E:HIS48
|
4.4
|
19.3
|
1.0
|
CA
|
E:HIS49
|
4.4
|
18.6
|
1.0
|
O2B
|
E:GST303
|
4.4
|
23.9
|
1.0
|
O3A
|
E:GST303
|
4.4
|
25.1
|
1.0
|
CD
|
E:GLU81
|
4.5
|
20.7
|
1.0
|
CE1
|
E:TYR51
|
4.6
|
17.1
|
1.0
|
CA
|
E:ASN37
|
4.7
|
19.9
|
1.0
|
C
|
E:HIS49
|
4.7
|
23.8
|
1.0
|
C
|
E:VAL36
|
4.7
|
26.1
|
1.0
|
OH
|
E:TYR256
|
4.7
|
21.5
|
1.0
|
N
|
E:ASN37
|
4.8
|
22.1
|
1.0
|
C
|
E:HIS50
|
4.9
|
20.5
|
1.0
|
CD1
|
E:TYR51
|
4.9
|
19.0
|
1.0
|
ND1
|
E:HIS49
|
4.9
|
20.1
|
1.0
|
|
Magnesium binding site 6 out
of 12 in 3vc1
Go back to
Magnesium Binding Sites List in 3vc1
Magnesium binding site 6 out
of 12 in the Crystal Structure of Geranyl Diphosphate C-Methyltransferase From Streptomyces Coelicolor A3(2) in Complex with MG2+, Geranyl-S- Thiolodiphosphate, and S-Adenosyl-L-Homocysteine
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 Geranyl Diphosphate C-Methyltransferase From Streptomyces Coelicolor A3(2) in Complex with MG2+, Geranyl-S- Thiolodiphosphate, and S-Adenosyl-L-Homocysteine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mg301
b:35.5
occ:1.00
|
O2A
|
F:GST303
|
2.1
|
32.7
|
1.0
|
O
|
F:HOH401
|
2.1
|
33.8
|
1.0
|
O2B
|
F:GST303
|
2.2
|
35.5
|
1.0
|
O
|
F:HOH402
|
2.2
|
31.8
|
1.0
|
OD1
|
F:ASN37
|
2.2
|
37.0
|
1.0
|
O
|
F:HOH403
|
2.4
|
32.1
|
1.0
|
PA
|
F:GST303
|
3.3
|
32.8
|
1.0
|
PB
|
F:GST303
|
3.4
|
34.5
|
1.0
|
CG
|
F:ASN37
|
3.4
|
35.2
|
1.0
|
O1B
|
F:GST303
|
3.5
|
33.8
|
1.0
|
NH1
|
F:ARG260
|
3.9
|
33.9
|
1.0
|
OE2
|
F:GLU81
|
3.9
|
32.1
|
1.0
|
O
|
F:HIS50
|
4.0
|
32.9
|
1.0
|
O1A
|
F:GST303
|
4.1
|
38.0
|
1.0
|
ND2
|
F:ASN37
|
4.1
|
31.3
|
1.0
|
OE1
|
F:GLU81
|
4.2
|
30.8
|
1.0
|
N
|
F:HIS50
|
4.3
|
29.2
|
1.0
|
CE1
|
F:TYR51
|
4.3
|
30.0
|
1.0
|
O
|
F:VAL36
|
4.4
|
34.5
|
1.0
|
O3A
|
F:GST303
|
4.4
|
34.8
|
1.0
|
CD
|
F:GLU81
|
4.4
|
30.4
|
1.0
|
S1
|
F:GST303
|
4.5
|
35.0
|
1.0
|
O3B
|
F:GST303
|
4.5
|
35.0
|
1.0
|
CA
|
F:HIS49
|
4.6
|
32.9
|
1.0
|
CB
|
F:ASN37
|
4.6
|
40.2
|
1.0
|
OH
|
F:TYR256
|
4.6
|
30.4
|
1.0
|
C
|
F:HIS50
|
4.7
|
30.5
|
1.0
|
CD1
|
F:TYR51
|
4.7
|
27.9
|
1.0
|
O
|
F:HIS48
|
4.7
|
33.5
|
1.0
|
CG1
|
F:VAL36
|
4.8
|
38.1
|
1.0
|
C
|
F:HIS49
|
4.8
|
31.7
|
1.0
|
CA
|
F:ASN37
|
4.8
|
40.1
|
1.0
|
C
|
F:VAL36
|
4.9
|
35.3
|
1.0
|
|
Magnesium binding site 7 out
of 12 in 3vc1
Go back to
Magnesium Binding Sites List in 3vc1
Magnesium binding site 7 out
of 12 in the Crystal Structure of Geranyl Diphosphate C-Methyltransferase From Streptomyces Coelicolor A3(2) in Complex with MG2+, Geranyl-S- Thiolodiphosphate, and S-Adenosyl-L-Homocysteine
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 Geranyl Diphosphate C-Methyltransferase From Streptomyces Coelicolor A3(2) in Complex with MG2+, Geranyl-S- Thiolodiphosphate, and S-Adenosyl-L-Homocysteine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Mg301
b:23.0
occ:1.00
|
OD1
|
G:ASN37
|
2.0
|
21.4
|
1.0
|
O3B
|
G:GST303
|
2.1
|
21.0
|
1.0
|
O1A
|
G:GST303
|
2.1
|
20.9
|
1.0
|
O
|
G:HOH402
|
2.1
|
17.9
|
1.0
|
O
|
G:HOH403
|
2.2
|
20.8
|
1.0
|
O
|
G:HOH401
|
2.3
|
24.4
|
1.0
|
CG
|
G:ASN37
|
3.2
|
21.8
|
1.0
|
PB
|
G:GST303
|
3.3
|
22.8
|
1.0
|
PA
|
G:GST303
|
3.3
|
23.1
|
1.0
|
O1B
|
G:GST303
|
3.6
|
24.0
|
1.0
|
ND2
|
G:ASN37
|
3.8
|
19.7
|
1.0
|
OE2
|
G:GLU81
|
3.9
|
23.4
|
1.0
|
O2A
|
G:GST303
|
4.0
|
25.2
|
1.0
|
NH1
|
G:ARG260
|
4.1
|
19.3
|
1.0
|
OE1
|
G:GLU81
|
4.2
|
19.4
|
1.0
|
O
|
G:VAL36
|
4.2
|
23.6
|
1.0
|
O
|
G:HIS50
|
4.3
|
19.3
|
1.0
|
CB
|
G:ASN37
|
4.3
|
22.5
|
1.0
|
O2B
|
G:GST303
|
4.3
|
24.1
|
1.0
|
O
|
G:HIS48
|
4.4
|
18.9
|
1.0
|
CD
|
G:GLU81
|
4.4
|
19.5
|
1.0
|
CG1
|
G:VAL36
|
4.4
|
23.2
|
1.0
|
N
|
G:HIS50
|
4.4
|
21.9
|
1.0
|
CA
|
G:HIS49
|
4.5
|
19.2
|
1.0
|
CA
|
G:ASN37
|
4.5
|
20.4
|
1.0
|
O3A
|
G:GST303
|
4.5
|
24.3
|
1.0
|
S1
|
G:GST303
|
4.6
|
27.1
|
1.0
|
C
|
G:VAL36
|
4.6
|
22.3
|
1.0
|
OH
|
G:TYR256
|
4.6
|
20.5
|
1.0
|
N
|
G:ASN37
|
4.7
|
23.8
|
1.0
|
CE1
|
G:TYR51
|
4.7
|
22.5
|
1.0
|
C
|
G:HIS49
|
4.8
|
23.5
|
1.0
|
ND1
|
G:HIS49
|
4.9
|
23.2
|
1.0
|
C
|
G:HIS50
|
5.0
|
21.6
|
1.0
|
|
Magnesium binding site 8 out
of 12 in 3vc1
Go back to
Magnesium Binding Sites List in 3vc1
Magnesium binding site 8 out
of 12 in the Crystal Structure of Geranyl Diphosphate C-Methyltransferase From Streptomyces Coelicolor A3(2) in Complex with MG2+, Geranyl-S- Thiolodiphosphate, and S-Adenosyl-L-Homocysteine
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 Geranyl Diphosphate C-Methyltransferase From Streptomyces Coelicolor A3(2) in Complex with MG2+, Geranyl-S- Thiolodiphosphate, and S-Adenosyl-L-Homocysteine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Mg301
b:17.3
occ:1.00
|
O3B
|
H:GST303
|
2.0
|
18.7
|
1.0
|
O3A
|
H:GST303
|
2.0
|
18.1
|
1.0
|
O
|
H:HOH402
|
2.1
|
15.7
|
1.0
|
OD1
|
H:ASN37
|
2.1
|
19.1
|
1.0
|
O
|
H:HOH401
|
2.1
|
18.2
|
1.0
|
O
|
H:HOH403
|
2.2
|
17.2
|
1.0
|
PB
|
H:GST303
|
3.2
|
22.0
|
1.0
|
CG
|
H:ASN37
|
3.3
|
20.2
|
1.0
|
PA
|
H:GST303
|
3.3
|
19.3
|
1.0
|
O1B
|
H:GST303
|
3.5
|
22.6
|
1.0
|
OE2
|
H:GLU81
|
3.9
|
18.2
|
1.0
|
ND2
|
H:ASN37
|
3.9
|
17.5
|
1.0
|
O1A
|
H:GST303
|
4.0
|
21.9
|
1.0
|
NH1
|
H:ARG260
|
4.0
|
17.8
|
1.0
|
O
|
H:HIS50
|
4.2
|
17.1
|
1.0
|
O
|
H:VAL36
|
4.2
|
20.7
|
1.0
|
OE1
|
H:GLU81
|
4.3
|
19.2
|
1.0
|
O2B
|
H:GST303
|
4.3
|
25.6
|
1.0
|
N
|
H:HIS50
|
4.4
|
15.0
|
1.0
|
S1
|
H:GST303
|
4.4
|
25.9
|
1.0
|
CB
|
H:ASN37
|
4.4
|
18.9
|
1.0
|
CD
|
H:GLU81
|
4.4
|
18.7
|
1.0
|
CA
|
H:HIS49
|
4.4
|
16.8
|
1.0
|
CG1
|
H:VAL36
|
4.5
|
19.5
|
1.0
|
O2A
|
H:GST303
|
4.5
|
21.1
|
1.0
|
O
|
H:HIS48
|
4.5
|
19.4
|
1.0
|
CE1
|
H:TYR51
|
4.6
|
19.4
|
1.0
|
OH
|
H:TYR256
|
4.6
|
19.1
|
1.0
|
CA
|
H:ASN37
|
4.6
|
18.5
|
1.0
|
C
|
H:HIS49
|
4.7
|
16.1
|
1.0
|
C
|
H:VAL36
|
4.8
|
21.0
|
1.0
|
N
|
H:ASN37
|
4.9
|
17.8
|
1.0
|
C
|
H:HIS50
|
4.9
|
16.9
|
1.0
|
CD1
|
H:TYR51
|
4.9
|
18.5
|
1.0
|
ND1
|
H:HIS49
|
5.0
|
18.5
|
1.0
|
|
Magnesium binding site 9 out
of 12 in 3vc1
Go back to
Magnesium Binding Sites List in 3vc1
Magnesium binding site 9 out
of 12 in the Crystal Structure of Geranyl Diphosphate C-Methyltransferase From Streptomyces Coelicolor A3(2) in Complex with MG2+, Geranyl-S- Thiolodiphosphate, and S-Adenosyl-L-Homocysteine
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 Geranyl Diphosphate C-Methyltransferase From Streptomyces Coelicolor A3(2) in Complex with MG2+, Geranyl-S- Thiolodiphosphate, and S-Adenosyl-L-Homocysteine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mg301
b:22.6
occ:1.00
|
O2B
|
I:GST303
|
2.0
|
19.8
|
1.0
|
O2A
|
I:GST303
|
2.0
|
19.0
|
1.0
|
O
|
I:HOH402
|
2.1
|
21.4
|
1.0
|
OD1
|
I:ASN37
|
2.2
|
19.1
|
1.0
|
O
|
I:HOH401
|
2.2
|
19.5
|
1.0
|
O3
|
I:GOL304
|
2.2
|
21.0
|
1.0
|
C3
|
I:GOL304
|
3.2
|
28.1
|
1.0
|
CG
|
I:ASN37
|
3.2
|
21.9
|
1.0
|
PB
|
I:GST303
|
3.2
|
20.5
|
1.0
|
PA
|
I:GST303
|
3.3
|
21.0
|
1.0
|
O1B
|
I:GST303
|
3.5
|
21.0
|
1.0
|
ND2
|
I:ASN37
|
3.8
|
21.4
|
1.0
|
O1A
|
I:GST303
|
3.9
|
21.1
|
1.0
|
OE2
|
I:GLU81
|
3.9
|
21.4
|
1.0
|
S1
|
I:GST303
|
4.2
|
22.9
|
1.0
|
OE1
|
I:GLU81
|
4.3
|
20.1
|
1.0
|
CB
|
I:ASN37
|
4.4
|
22.0
|
1.0
|
O
|
I:HIS50
|
4.5
|
19.6
|
1.0
|
C2
|
I:GOL304
|
4.5
|
28.7
|
1.0
|
O3B
|
I:GST303
|
4.5
|
24.3
|
1.0
|
CD
|
I:GLU81
|
4.5
|
20.6
|
1.0
|
NH1
|
I:ARG260
|
4.5
|
22.5
|
1.0
|
O2
|
I:GOL304
|
4.5
|
31.8
|
1.0
|
O
|
I:HIS48
|
4.5
|
19.1
|
1.0
|
O3A
|
I:GST303
|
4.5
|
23.8
|
1.0
|
CE1
|
I:TYR51
|
4.7
|
21.1
|
1.0
|
CA
|
I:HIS49
|
4.7
|
19.1
|
1.0
|
OH
|
I:TYR256
|
4.8
|
22.4
|
1.0
|
N
|
I:HIS50
|
4.8
|
20.3
|
1.0
|
CA
|
I:ASN37
|
4.8
|
21.9
|
1.0
|
NH1
|
I:ARG34
|
4.8
|
27.3
|
1.0
|
ND1
|
I:HIS49
|
4.9
|
19.1
|
1.0
|
|
Magnesium binding site 10 out
of 12 in 3vc1
Go back to
Magnesium Binding Sites List in 3vc1
Magnesium binding site 10 out
of 12 in the Crystal Structure of Geranyl Diphosphate C-Methyltransferase From Streptomyces Coelicolor A3(2) in Complex with MG2+, Geranyl-S- Thiolodiphosphate, and S-Adenosyl-L-Homocysteine
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 Geranyl Diphosphate C-Methyltransferase From Streptomyces Coelicolor A3(2) in Complex with MG2+, Geranyl-S- Thiolodiphosphate, and S-Adenosyl-L-Homocysteine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Mg301
b:22.8
occ:1.00
|
O2B
|
J:GST303
|
2.0
|
18.9
|
1.0
|
O2A
|
J:GST303
|
2.0
|
20.7
|
1.0
|
OD1
|
J:ASN37
|
2.1
|
20.5
|
1.0
|
O
|
J:HOH403
|
2.2
|
19.1
|
1.0
|
O
|
J:HOH401
|
2.2
|
21.0
|
1.0
|
O
|
J:HOH402
|
2.2
|
19.6
|
1.0
|
PB
|
J:GST303
|
3.2
|
21.1
|
1.0
|
CG
|
J:ASN37
|
3.2
|
20.2
|
1.0
|
PA
|
J:GST303
|
3.3
|
20.7
|
1.0
|
O1B
|
J:GST303
|
3.5
|
24.5
|
1.0
|
OE2
|
J:GLU81
|
3.9
|
21.1
|
1.0
|
ND2
|
J:ASN37
|
3.9
|
19.3
|
1.0
|
O1A
|
J:GST303
|
3.9
|
22.3
|
1.0
|
NH1
|
J:ARG260
|
4.1
|
20.5
|
1.0
|
OE1
|
J:GLU81
|
4.2
|
21.1
|
1.0
|
O
|
J:VAL36
|
4.2
|
23.4
|
1.0
|
O3B
|
J:GST303
|
4.3
|
22.5
|
1.0
|
O
|
J:HIS50
|
4.3
|
19.2
|
1.0
|
O
|
J:HIS48
|
4.3
|
20.6
|
1.0
|
CB
|
J:ASN37
|
4.4
|
20.1
|
1.0
|
CG1
|
J:VAL36
|
4.4
|
20.1
|
1.0
|
CD
|
J:GLU81
|
4.4
|
20.4
|
1.0
|
S1
|
J:GST303
|
4.5
|
26.9
|
1.0
|
N
|
J:HIS50
|
4.5
|
22.1
|
1.0
|
CA
|
J:HIS49
|
4.5
|
21.7
|
1.0
|
CA
|
J:ASN37
|
4.5
|
20.8
|
1.0
|
O3A
|
J:GST303
|
4.5
|
21.5
|
1.0
|
C
|
J:VAL36
|
4.7
|
22.2
|
1.0
|
CE1
|
J:TYR51
|
4.7
|
21.2
|
1.0
|
N
|
J:ASN37
|
4.7
|
20.5
|
1.0
|
OH
|
J:TYR256
|
4.8
|
21.7
|
1.0
|
C
|
J:HIS49
|
4.8
|
21.1
|
1.0
|
ND1
|
J:HIS49
|
4.9
|
19.2
|
1.0
|
C
|
J:HIS50
|
5.0
|
20.8
|
1.0
|
|
Reference:
M.Koksal,
W.K.Chou,
D.E.Cane,
D.W.Christianson.
Structure of Geranyl Diphosphate C-Methyltransferase From Streptomyces Coelicolor and Implications For the Mechanism of Isoprenoid Modification. Biochemistry V. 51 3003 2012.
ISSN: ISSN 0006-2960
PubMed: 22455498
DOI: 10.1021/BI300109C
Page generated: Thu Aug 15 12:52:22 2024
|