Zinc in PDB 7drk: Crystal Structure of Phosphatidylglycerol Phosphate Synthase in Complex with Cytidine Diphosphate-Diacylglycerol
Enzymatic activity of Crystal Structure of Phosphatidylglycerol Phosphate Synthase in Complex with Cytidine Diphosphate-Diacylglycerol
All present enzymatic activity of Crystal Structure of Phosphatidylglycerol Phosphate Synthase in Complex with Cytidine Diphosphate-Diacylglycerol:
2.7.8.5;
Protein crystallography data
The structure of Crystal Structure of Phosphatidylglycerol Phosphate Synthase in Complex with Cytidine Diphosphate-Diacylglycerol, PDB code: 7drk
was solved by
B.W.Yang,
Z.F.Liu,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
9.99 /
3.00
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
127.781,
59.432,
73.027,
90,
106.66,
90
|
R / Rfree (%)
|
25 /
29.9
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Crystal Structure of Phosphatidylglycerol Phosphate Synthase in Complex with Cytidine Diphosphate-Diacylglycerol
(pdb code 7drk). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the
Crystal Structure of Phosphatidylglycerol Phosphate Synthase in Complex with Cytidine Diphosphate-Diacylglycerol, PDB code: 7drk:
Jump to Zinc binding site number:
1;
2;
3;
4;
Zinc binding site 1 out
of 4 in 7drk
Go back to
Zinc Binding Sites List in 7drk
Zinc binding site 1 out
of 4 in the Crystal Structure of Phosphatidylglycerol Phosphate Synthase in Complex with Cytidine Diphosphate-Diacylglycerol
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Crystal Structure of Phosphatidylglycerol Phosphate Synthase in Complex with Cytidine Diphosphate-Diacylglycerol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn201
b:56.8
occ:1.00
|
OD1
|
A:ASP60
|
2.0
|
73.1
|
1.0
|
OD2
|
A:ASP60
|
2.0
|
69.2
|
1.0
|
OD1
|
A:ASP57
|
2.0
|
49.8
|
1.0
|
OD2
|
A:ASP78
|
2.1
|
49.1
|
1.0
|
O
|
A:ASP57
|
2.1
|
46.4
|
1.0
|
OAT
|
A:58A203
|
2.2
|
52.4
|
1.0
|
CG
|
A:ASP60
|
2.3
|
55.4
|
1.0
|
C
|
A:ASP57
|
3.0
|
54.0
|
1.0
|
CG
|
A:ASP57
|
3.2
|
59.5
|
1.0
|
CG
|
A:ASP78
|
3.2
|
58.9
|
1.0
|
CA
|
A:ASP57
|
3.2
|
59.0
|
1.0
|
PAR
|
A:58A203
|
3.6
|
54.0
|
1.0
|
ZN
|
A:ZN202
|
3.6
|
61.5
|
1.0
|
N
|
A:GLY61
|
3.7
|
63.9
|
1.0
|
OD1
|
A:ASP78
|
3.8
|
48.6
|
1.0
|
CB
|
A:ASP57
|
3.8
|
53.5
|
1.0
|
CB
|
A:ASP60
|
3.8
|
52.2
|
1.0
|
NH2
|
A:ARG11
|
3.8
|
60.7
|
1.0
|
OAU
|
A:58A203
|
4.0
|
74.0
|
1.0
|
OAA
|
A:58A203
|
4.1
|
68.9
|
1.0
|
OD2
|
A:ASP57
|
4.2
|
57.0
|
1.0
|
N
|
A:PHE58
|
4.2
|
64.7
|
1.0
|
O
|
A:SER56
|
4.4
|
66.8
|
1.0
|
CA
|
A:GLY61
|
4.4
|
68.8
|
1.0
|
CB
|
A:ASP78
|
4.4
|
45.9
|
1.0
|
C
|
A:ASP60
|
4.5
|
60.9
|
1.0
|
CA
|
A:ASP60
|
4.5
|
59.8
|
1.0
|
OAS
|
A:58A203
|
4.5
|
60.6
|
1.0
|
N
|
A:ASP57
|
4.5
|
57.2
|
1.0
|
OAX
|
A:58A203
|
4.6
|
64.0
|
1.0
|
O5'
|
A:58A203
|
4.6
|
52.0
|
1.0
|
CZ
|
A:ARG11
|
4.6
|
60.0
|
1.0
|
N
|
A:ASP60
|
4.6
|
53.1
|
1.0
|
NH1
|
A:ARG11
|
4.7
|
54.3
|
1.0
|
PAV
|
A:58A203
|
4.8
|
64.7
|
1.0
|
CA
|
A:PHE58
|
4.8
|
64.0
|
1.0
|
C
|
A:SER56
|
4.9
|
53.2
|
1.0
|
C
|
A:PHE58
|
4.9
|
68.7
|
1.0
|
OCL
|
A:58A203
|
5.0
|
60.8
|
1.0
|
|
Zinc binding site 2 out
of 4 in 7drk
Go back to
Zinc Binding Sites List in 7drk
Zinc binding site 2 out
of 4 in the Crystal Structure of Phosphatidylglycerol Phosphate Synthase in Complex with Cytidine Diphosphate-Diacylglycerol
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Crystal Structure of Phosphatidylglycerol Phosphate Synthase in Complex with Cytidine Diphosphate-Diacylglycerol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn202
b:61.5
occ:1.00
|
OD2
|
A:ASP82
|
2.0
|
63.2
|
1.0
|
OD1
|
A:ASP57
|
2.0
|
49.8
|
1.0
|
OD2
|
A:ASP57
|
2.0
|
57.0
|
1.0
|
OD1
|
A:ASP78
|
2.0
|
48.6
|
1.0
|
OD1
|
A:ASP82
|
2.0
|
63.9
|
1.0
|
CG
|
A:ASP57
|
2.2
|
59.5
|
1.0
|
CG
|
A:ASP82
|
2.3
|
57.2
|
1.0
|
OAX
|
A:58A203
|
2.6
|
64.0
|
1.0
|
CG
|
A:ASP78
|
2.9
|
58.9
|
1.0
|
OD2
|
A:ASP78
|
3.2
|
49.1
|
1.0
|
ZN
|
A:ZN201
|
3.6
|
56.8
|
1.0
|
O
|
A:ASP78
|
3.6
|
39.2
|
1.0
|
CB
|
A:ASP57
|
3.7
|
53.5
|
1.0
|
NH1
|
A:ARG11
|
3.8
|
54.3
|
1.0
|
CB
|
A:ASP82
|
3.8
|
37.2
|
1.0
|
PAV
|
A:58A203
|
3.9
|
64.7
|
1.0
|
OAU
|
A:58A203
|
4.1
|
74.0
|
1.0
|
C
|
A:ASP78
|
4.2
|
46.0
|
1.0
|
CB
|
A:ASP78
|
4.3
|
45.9
|
1.0
|
CZ
|
A:ARG11
|
4.4
|
60.0
|
1.0
|
CA
|
A:ASP57
|
4.5
|
59.0
|
1.0
|
OAT
|
A:58A203
|
4.6
|
52.4
|
1.0
|
OAY
|
A:58A203
|
4.6
|
55.1
|
1.0
|
CA
|
A:ASP78
|
4.6
|
50.9
|
1.0
|
CA
|
A:ASP82
|
4.7
|
40.5
|
1.0
|
CG2
|
A:THR138
|
4.7
|
33.8
|
1.0
|
OD2
|
A:ASP60
|
4.7
|
69.2
|
1.0
|
NH2
|
A:ARG11
|
4.8
|
60.7
|
1.0
|
O
|
A:ASP57
|
4.9
|
46.4
|
1.0
|
N
|
A:ASP82
|
4.9
|
44.1
|
1.0
|
N
|
A:PRO79
|
4.9
|
40.4
|
1.0
|
OBD
|
A:58A203
|
5.0
|
60.7
|
1.0
|
OAW
|
A:58A203
|
5.0
|
62.1
|
1.0
|
|
Zinc binding site 3 out
of 4 in 7drk
Go back to
Zinc Binding Sites List in 7drk
Zinc binding site 3 out
of 4 in the Crystal Structure of Phosphatidylglycerol Phosphate Synthase in Complex with Cytidine Diphosphate-Diacylglycerol
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Crystal Structure of Phosphatidylglycerol Phosphate Synthase in Complex with Cytidine Diphosphate-Diacylglycerol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn201
b:61.1
occ:1.00
|
OD1
|
B:ASP57
|
1.9
|
44.6
|
1.0
|
OD2
|
B:ASP60
|
2.0
|
68.0
|
1.0
|
OD1
|
B:ASP60
|
2.0
|
73.6
|
1.0
|
OD2
|
B:ASP78
|
2.1
|
44.6
|
1.0
|
O
|
B:ASP57
|
2.1
|
56.7
|
1.0
|
CG
|
B:ASP60
|
2.2
|
56.2
|
1.0
|
OAS
|
B:58A203
|
2.5
|
59.3
|
1.0
|
C
|
B:ASP57
|
2.9
|
58.9
|
1.0
|
CG
|
B:ASP57
|
3.1
|
46.7
|
1.0
|
CA
|
B:ASP57
|
3.2
|
58.1
|
1.0
|
CG
|
B:ASP78
|
3.3
|
58.4
|
1.0
|
OAU
|
B:58A203
|
3.5
|
61.9
|
1.0
|
PAR
|
B:58A203
|
3.5
|
71.2
|
1.0
|
N
|
B:GLY61
|
3.6
|
68.7
|
1.0
|
ZN
|
B:ZN202
|
3.6
|
45.7
|
1.0
|
CB
|
B:ASP60
|
3.7
|
51.4
|
1.0
|
CB
|
B:ASP57
|
3.7
|
45.7
|
1.0
|
OAA
|
B:58A203
|
3.9
|
75.3
|
1.0
|
OD1
|
B:ASP78
|
4.0
|
43.1
|
1.0
|
NH2
|
B:ARG11
|
4.1
|
45.6
|
1.0
|
OD2
|
B:ASP57
|
4.1
|
44.9
|
1.0
|
N
|
B:PHE58
|
4.2
|
62.8
|
1.0
|
CA
|
B:GLY61
|
4.3
|
67.3
|
1.0
|
C
|
B:ASP60
|
4.3
|
71.2
|
1.0
|
O
|
B:SER56
|
4.3
|
47.7
|
1.0
|
CA
|
B:ASP60
|
4.3
|
65.0
|
1.0
|
CB
|
B:ASP78
|
4.4
|
61.6
|
1.0
|
OAT
|
B:58A203
|
4.5
|
77.0
|
1.0
|
N
|
B:ASP60
|
4.5
|
59.8
|
1.0
|
N
|
B:ASP57
|
4.5
|
49.7
|
1.0
|
C5'
|
B:58A203
|
4.6
|
50.2
|
1.0
|
NH1
|
B:ARG11
|
4.7
|
44.0
|
1.0
|
CZ
|
B:ARG11
|
4.7
|
43.0
|
1.0
|
O5'
|
B:58A203
|
4.7
|
51.6
|
1.0
|
CA
|
B:PHE58
|
4.8
|
63.1
|
1.0
|
C
|
B:SER56
|
4.9
|
39.7
|
1.0
|
CAB
|
B:58A203
|
4.9
|
69.1
|
1.0
|
PAV
|
B:58A203
|
4.9
|
57.3
|
1.0
|
C
|
B:PHE58
|
4.9
|
64.2
|
1.0
|
|
Zinc binding site 4 out
of 4 in 7drk
Go back to
Zinc Binding Sites List in 7drk
Zinc binding site 4 out
of 4 in the Crystal Structure of Phosphatidylglycerol Phosphate Synthase in Complex with Cytidine Diphosphate-Diacylglycerol
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Crystal Structure of Phosphatidylglycerol Phosphate Synthase in Complex with Cytidine Diphosphate-Diacylglycerol within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn202
b:45.7
occ:1.00
|
OD2
|
B:ASP82
|
2.0
|
56.0
|
1.0
|
OD1
|
B:ASP78
|
2.0
|
43.1
|
1.0
|
OD2
|
B:ASP57
|
2.0
|
44.9
|
1.0
|
OAX
|
B:58A203
|
2.1
|
62.0
|
1.0
|
OD1
|
B:ASP57
|
2.3
|
44.6
|
1.0
|
CG
|
B:ASP57
|
2.4
|
46.7
|
1.0
|
CG
|
B:ASP78
|
2.7
|
58.4
|
1.0
|
OD2
|
B:ASP78
|
2.7
|
44.6
|
1.0
|
OAU
|
B:58A203
|
2.9
|
61.9
|
1.0
|
CG
|
B:ASP82
|
2.9
|
57.2
|
1.0
|
PAV
|
B:58A203
|
3.1
|
57.3
|
1.0
|
OD1
|
B:ASP82
|
3.2
|
55.9
|
1.0
|
ZN
|
B:ZN201
|
3.6
|
61.1
|
1.0
|
CB
|
B:ASP57
|
3.9
|
45.7
|
1.0
|
O
|
B:ASP78
|
4.1
|
45.0
|
1.0
|
OAW
|
B:58A203
|
4.1
|
59.1
|
1.0
|
CB
|
B:ASP78
|
4.2
|
61.6
|
1.0
|
CAZ
|
B:58A203
|
4.2
|
50.8
|
1.0
|
OAY
|
B:58A203
|
4.2
|
53.2
|
1.0
|
CB
|
B:ASP82
|
4.3
|
45.2
|
1.0
|
PAR
|
B:58A203
|
4.3
|
71.2
|
1.0
|
NH2
|
B:ARG11
|
4.3
|
45.6
|
1.0
|
C
|
B:ASP78
|
4.4
|
45.6
|
1.0
|
OAS
|
B:58A203
|
4.4
|
59.3
|
1.0
|
CA
|
B:ASP57
|
4.7
|
58.1
|
1.0
|
CA
|
B:ASP78
|
4.7
|
45.7
|
1.0
|
OCK
|
B:58A203
|
4.8
|
55.7
|
1.0
|
CG2
|
B:THR138
|
4.9
|
42.5
|
1.0
|
OD1
|
B:ASP60
|
4.9
|
73.6
|
1.0
|
N
|
B:PRO79
|
4.9
|
48.1
|
1.0
|
O
|
B:ASP57
|
5.0
|
56.7
|
1.0
|
|
Reference:
B.Yang,
H.Yao,
D.Li,
Z.Liu.
The Phosphatidylglycerol Phosphate Synthase Pgsa Utilizes A Trifurcated Amphipathic Cavity For Catalysis at the Membrane-Cytosol Interface Curr Res Struct Biol 2021.
ISSN: ESSN 2665-928X
DOI: 10.1016/J.CRSTBI.2021.11.005
Page generated: Tue Oct 29 19:14:39 2024
|