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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:

Zinc (Zn) 2 atoms

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

Go back to 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 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 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 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

Go back to 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

Go back to 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

Go back to 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

Go back to 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

Go back to 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

Go back to 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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