Chlorine in PDB 6wvn: Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7- Methyl-Gpppa and S-Adenosylmethionine.
Protein crystallography data
The structure of Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7- Methyl-Gpppa and S-Adenosylmethionine., PDB code: 6wvn
was solved by
G.Minasov,
L.Shuvalova,
M.Rosas-Lemus,
O.Kiryukhina,
J.S.Brunzelle,
K.J.F.Satchell,
Center For Structural Genomics Of Infectious Diseases(Csgid),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.35 /
2.00
|
Space group
|
P 31 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
169.372,
169.372,
52.083,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
16.2 /
17.8
|
Other elements in 6wvn:
The structure of Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7- Methyl-Gpppa and S-Adenosylmethionine. also contains other interesting chemical elements:
Chlorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
15;
Binding sites:
The binding sites of Chlorine atom in the Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7- Methyl-Gpppa and S-Adenosylmethionine.
(pdb code 6wvn). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 15 binding sites of Chlorine where determined in the
Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7- Methyl-Gpppa and S-Adenosylmethionine., PDB code: 6wvn:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 15 in 6wvn
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Chlorine Binding Sites List in 6wvn
Chlorine binding site 1 out
of 15 in the Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7- Methyl-Gpppa and S-Adenosylmethionine.
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7- Methyl-Gpppa and S-Adenosylmethionine. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl7101
b:98.6
occ:1.00
|
NE
|
A:ARG7077
|
3.0
|
73.9
|
1.0
|
NH2
|
A:ARG7053
|
3.2
|
78.3
|
1.0
|
NH2
|
A:ARG7077
|
3.2
|
83.0
|
1.0
|
CZ
|
A:ARG7077
|
3.5
|
81.2
|
1.0
|
O
|
A:HOH7275
|
3.6
|
60.9
|
1.0
|
CD
|
A:ARG7077
|
4.0
|
66.3
|
1.0
|
CZ
|
A:ARG7053
|
4.2
|
77.0
|
1.0
|
CG
|
A:ARG7077
|
4.3
|
57.3
|
1.0
|
O
|
A:HOH7347
|
4.4
|
62.9
|
1.0
|
NE
|
A:ARG7053
|
4.6
|
72.8
|
1.0
|
NH1
|
A:ARG7077
|
4.8
|
84.3
|
1.0
|
O
|
A:LYS7075
|
4.9
|
44.0
|
1.0
|
|
Chlorine binding site 2 out
of 15 in 6wvn
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Chlorine Binding Sites List in 6wvn
Chlorine binding site 2 out
of 15 in the Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7- Methyl-Gpppa and S-Adenosylmethionine.
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7- Methyl-Gpppa and S-Adenosylmethionine. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl7102
b:0.4
occ:1.00
|
O
|
A:HOH7396
|
2.9
|
50.9
|
0.5
|
O
|
A:HOH7396
|
3.2
|
60.7
|
0.5
|
CG
|
A:GLN7036
|
3.7
|
53.6
|
1.0
|
O
|
A:PRO7034
|
3.7
|
37.2
|
1.0
|
NE2
|
A:GLN7036
|
4.0
|
62.1
|
1.0
|
CD
|
A:GLN7036
|
4.2
|
60.7
|
1.0
|
C
|
A:PRO7034
|
4.3
|
38.2
|
1.0
|
CB
|
A:PRO7034
|
4.3
|
41.5
|
1.0
|
N
|
A:GLN7036
|
4.6
|
40.1
|
1.0
|
O
|
A:HOH7432
|
4.7
|
45.7
|
0.5
|
O
|
A:HOH7286
|
4.7
|
43.5
|
1.0
|
CB
|
A:GLN7036
|
4.8
|
47.6
|
1.0
|
CA
|
A:PRO7034
|
4.9
|
39.6
|
1.0
|
C
|
A:ILE7035
|
5.0
|
38.4
|
1.0
|
N
|
A:ILE7035
|
5.0
|
36.8
|
1.0
|
|
Chlorine binding site 3 out
of 15 in 6wvn
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Chlorine Binding Sites List in 6wvn
Chlorine binding site 3 out
of 15 in the Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7- Methyl-Gpppa and S-Adenosylmethionine.
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7- Methyl-Gpppa and S-Adenosylmethionine. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl7103
b:69.4
occ:1.00
|
N
|
A:GLU6945
|
3.2
|
38.0
|
0.6
|
N
|
A:GLU6945
|
3.2
|
37.4
|
0.4
|
O
|
A:HOH7474
|
3.9
|
66.0
|
1.0
|
CL
|
A:CL7104
|
3.9
|
56.9
|
0.3
|
CA
|
A:LYS6944
|
4.0
|
36.2
|
1.0
|
CA
|
A:GLU6945
|
4.0
|
40.2
|
0.6
|
CB
|
A:GLU6945
|
4.0
|
44.8
|
0.6
|
CA
|
A:GLU6945
|
4.0
|
38.5
|
0.4
|
CB
|
A:GLU6945
|
4.0
|
41.3
|
0.4
|
C
|
A:LYS6944
|
4.0
|
36.3
|
1.0
|
CB
|
A:LYS6944
|
4.3
|
34.4
|
1.0
|
C
|
A:GLU6945
|
4.3
|
39.0
|
0.6
|
C
|
A:GLU6945
|
4.3
|
38.1
|
0.4
|
CD
|
A:LYS6944
|
4.4
|
37.7
|
1.0
|
N
|
A:GLY6946
|
4.4
|
39.5
|
1.0
|
CG
|
A:GLU6945
|
4.6
|
48.5
|
0.6
|
CG
|
A:GLU6945
|
4.6
|
43.0
|
0.4
|
CL
|
A:CL7104
|
4.8
|
66.6
|
0.7
|
CG
|
A:LYS6944
|
5.0
|
35.2
|
1.0
|
O
|
A:GLU6945
|
5.0
|
37.3
|
0.6
|
|
Chlorine binding site 4 out
of 15 in 6wvn
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Chlorine Binding Sites List in 6wvn
Chlorine binding site 4 out
of 15 in the Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7- Methyl-Gpppa and S-Adenosylmethionine.
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7- Methyl-Gpppa and S-Adenosylmethionine. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl7104
b:66.6
occ:0.65
|
CL
|
A:CL7104
|
0.0
|
66.6
|
0.7
|
CL
|
A:CL7104
|
2.4
|
56.9
|
0.3
|
O
|
A:HOH7382
|
2.6
|
43.5
|
0.3
|
N
|
A:GLY6946
|
3.2
|
39.5
|
1.0
|
O
|
A:HOH7382
|
3.4
|
45.7
|
0.7
|
CA
|
A:GLY6946
|
3.5
|
38.5
|
1.0
|
CB
|
A:GLU6945
|
4.1
|
41.3
|
0.4
|
CB
|
A:GLU6945
|
4.1
|
44.8
|
0.6
|
C
|
A:GLU6945
|
4.4
|
39.0
|
0.6
|
C
|
A:GLU6945
|
4.4
|
38.1
|
0.4
|
OE2
|
A:GLU6945
|
4.6
|
60.7
|
0.6
|
C
|
A:GLY6946
|
4.8
|
36.9
|
1.0
|
CL
|
A:CL7103
|
4.8
|
69.4
|
1.0
|
CA
|
A:GLU6945
|
4.8
|
40.2
|
0.6
|
CA
|
A:GLU6945
|
4.8
|
38.5
|
0.4
|
O
|
A:HOH7437
|
5.0
|
56.1
|
1.0
|
|
Chlorine binding site 5 out
of 15 in 6wvn
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Chlorine Binding Sites List in 6wvn
Chlorine binding site 5 out
of 15 in the Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7- Methyl-Gpppa and S-Adenosylmethionine.
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7- Methyl-Gpppa and S-Adenosylmethionine. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl7104
b:56.9
occ:0.35
|
CL
|
A:CL7104
|
0.0
|
56.9
|
0.3
|
CL
|
A:CL7104
|
2.4
|
66.6
|
0.7
|
CA
|
A:GLY6946
|
3.8
|
38.5
|
1.0
|
N
|
A:GLY6946
|
3.8
|
39.5
|
1.0
|
CL
|
A:CL7103
|
3.9
|
69.4
|
1.0
|
O
|
A:HOH7382
|
4.2
|
43.5
|
0.3
|
O
|
A:HOH7437
|
4.8
|
56.1
|
1.0
|
C
|
A:GLU6945
|
4.8
|
39.0
|
0.6
|
C
|
A:GLU6945
|
4.8
|
38.1
|
0.4
|
|
Chlorine binding site 6 out
of 15 in 6wvn
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Chlorine Binding Sites List in 6wvn
Chlorine binding site 6 out
of 15 in the Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7- Methyl-Gpppa and S-Adenosylmethionine.
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7- Methyl-Gpppa and S-Adenosylmethionine. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl7105
b:70.2
occ:1.00
|
N
|
A:LEU6812
|
3.0
|
36.4
|
1.0
|
N
|
A:ASN6811
|
3.4
|
35.5
|
1.0
|
CB
|
A:PRO6810
|
3.5
|
35.5
|
1.0
|
CB
|
A:LEU6812
|
3.5
|
37.9
|
1.0
|
CA
|
A:LEU6812
|
3.8
|
36.8
|
1.0
|
C
|
A:PRO6810
|
3.9
|
35.2
|
1.0
|
O
|
A:HOH7357
|
3.9
|
40.1
|
1.0
|
C
|
A:ASN6811
|
3.9
|
35.9
|
1.0
|
CA
|
A:ASN6811
|
4.0
|
37.2
|
1.0
|
CA
|
A:PRO6810
|
4.1
|
34.0
|
1.0
|
CB
|
A:ASN6811
|
4.2
|
39.9
|
1.0
|
O
|
A:PRO6810
|
4.6
|
34.7
|
1.0
|
CG
|
A:PRO6810
|
4.9
|
35.2
|
1.0
|
CG
|
A:LEU6812
|
4.9
|
39.9
|
1.0
|
N
|
A:TYR6813
|
4.9
|
33.7
|
1.0
|
C
|
A:LEU6812
|
4.9
|
34.5
|
1.0
|
|
Chlorine binding site 7 out
of 15 in 6wvn
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Chlorine Binding Sites List in 6wvn
Chlorine binding site 7 out
of 15 in the Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7- Methyl-Gpppa and S-Adenosylmethionine.
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7- Methyl-Gpppa and S-Adenosylmethionine. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl7106
b:72.6
occ:1.00
|
N
|
A:LEU6834
|
2.9
|
39.4
|
1.0
|
O
|
A:HOH7467
|
3.5
|
72.9
|
1.0
|
O
|
A:ALA6832
|
3.5
|
43.2
|
1.0
|
O
|
A:HOH7425
|
3.5
|
64.8
|
1.0
|
CB
|
A:LEU6834
|
3.6
|
38.8
|
1.0
|
CA
|
A:LEU6834
|
3.8
|
38.7
|
1.0
|
C
|
A:THR6833
|
3.9
|
41.4
|
1.0
|
CA
|
A:THR6833
|
3.9
|
43.8
|
1.0
|
O
|
A:LEU6834
|
3.9
|
37.6
|
1.0
|
CG
|
A:LEU6834
|
4.0
|
38.2
|
1.0
|
O
|
A:HOH7242
|
4.1
|
52.9
|
1.0
|
C
|
A:LEU6834
|
4.3
|
38.7
|
1.0
|
C
|
A:ALA6832
|
4.5
|
42.9
|
1.0
|
CD1
|
A:LEU6834
|
4.5
|
38.7
|
1.0
|
O
|
A:HOH7304
|
4.6
|
64.0
|
1.0
|
N
|
A:THR6833
|
4.7
|
42.8
|
1.0
|
O4
|
A:SO47121
|
4.9
|
83.4
|
0.7
|
CG2
|
A:THR6833
|
4.9
|
47.4
|
1.0
|
CB
|
A:THR6833
|
5.0
|
46.0
|
1.0
|
|
Chlorine binding site 8 out
of 15 in 6wvn
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Chlorine Binding Sites List in 6wvn
Chlorine binding site 8 out
of 15 in the Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7- Methyl-Gpppa and S-Adenosylmethionine.
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7- Methyl-Gpppa and S-Adenosylmethionine. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl7107
b:78.2
occ:1.00
|
N
|
A:ILE6910
|
3.0
|
43.2
|
1.0
|
CB
|
A:ILE6910
|
3.8
|
46.6
|
1.0
|
CA
|
A:LEU6909
|
3.8
|
41.9
|
1.0
|
O
|
A:ILE6910
|
3.8
|
45.4
|
1.0
|
CA
|
A:ILE6910
|
3.8
|
43.9
|
1.0
|
C
|
A:LEU6909
|
3.9
|
41.2
|
1.0
|
CG1
|
A:ILE6910
|
4.0
|
46.0
|
1.0
|
O
|
A:THR6908
|
4.1
|
42.2
|
1.0
|
O
|
A:HOH7412
|
4.1
|
63.1
|
1.0
|
C
|
A:ILE6910
|
4.3
|
43.8
|
1.0
|
CD2
|
A:LEU6909
|
4.5
|
45.9
|
1.0
|
CB
|
A:LEU6909
|
4.7
|
41.9
|
1.0
|
OG
|
A:SER7090
|
4.7
|
61.6
|
1.0
|
CB
|
A:SER7090
|
4.8
|
50.1
|
1.0
|
N
|
A:LEU6909
|
4.8
|
39.7
|
1.0
|
C
|
A:THR6908
|
4.8
|
41.1
|
1.0
|
|
Chlorine binding site 9 out
of 15 in 6wvn
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Chlorine Binding Sites List in 6wvn
Chlorine binding site 9 out
of 15 in the Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7- Methyl-Gpppa and S-Adenosylmethionine.
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7- Methyl-Gpppa and S-Adenosylmethionine. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl7108
b:92.5
occ:1.00
|
NZ
|
A:LYS6939
|
3.7
|
84.1
|
1.0
|
CD
|
A:LYS6939
|
3.9
|
77.0
|
1.0
|
CE
|
A:LYS6939
|
4.1
|
80.7
|
1.0
|
CG
|
A:LYS6939
|
4.7
|
75.1
|
1.0
|
|
Chlorine binding site 10 out
of 15 in 6wvn
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Chlorine Binding Sites List in 6wvn
Chlorine binding site 10 out
of 15 in the Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7- Methyl-Gpppa and S-Adenosylmethionine.
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 10 of Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7- Methyl-Gpppa and S-Adenosylmethionine. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl7109
b:96.9
occ:1.00
|
CB
|
A:ASN7066
|
3.8
|
78.6
|
1.0
|
N
|
A:ASP7067
|
3.8
|
74.1
|
1.0
|
CG
|
A:ASP7067
|
4.0
|
82.3
|
1.0
|
OD2
|
A:ASP7067
|
4.0
|
88.9
|
1.0
|
CB
|
A:ASP7067
|
4.2
|
79.7
|
1.0
|
OD1
|
A:ASP7067
|
4.4
|
79.5
|
1.0
|
CA
|
A:ASN7066
|
4.5
|
76.7
|
1.0
|
CA
|
A:ASP7067
|
4.6
|
74.5
|
1.0
|
C
|
A:ASN7066
|
4.7
|
73.9
|
1.0
|
CG
|
A:ASN7066
|
4.7
|
77.2
|
1.0
|
|
Reference:
G.Minasov,
L.Shuvalova,
M.Rosas-Lemus,
O.Kiryukhina,
J.S.Brunzelle,
K.J.F.Satchell,
Center For Structural Genomics Of Infectious Diseases(Csgid).
Crystal Structure of NSP16-NSP10 From Sars-Cov-2 in Complex with 7-Methyl-Gpppa and S-Adenosylmethionine. To Be Published.
Page generated: Mon Jul 29 16:56:36 2024
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