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Chlorine in PDB 6wji: 2.05 Angstrom Resolution Crystal Structure of C-Terminal Dimerization Domain of Nucleocapsid Phosphoprotein From Sars-Cov-2

Protein crystallography data

The structure of 2.05 Angstrom Resolution Crystal Structure of C-Terminal Dimerization Domain of Nucleocapsid Phosphoprotein From Sars-Cov-2, PDB code: 6wji was solved by G.Minasov, L.Shuvalova, G.Wiersum, K.J.F.Satchell, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.88 / 2.05
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 43.612, 122.317, 130.633, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 22.8

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Chlorine atom in the 2.05 Angstrom Resolution Crystal Structure of C-Terminal Dimerization Domain of Nucleocapsid Phosphoprotein From Sars-Cov-2 (pdb code 6wji). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the 2.05 Angstrom Resolution Crystal Structure of C-Terminal Dimerization Domain of Nucleocapsid Phosphoprotein From Sars-Cov-2, PDB code: 6wji:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in 6wji

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Chlorine binding site 1 out of 13 in the 2.05 Angstrom Resolution Crystal Structure of C-Terminal Dimerization Domain of Nucleocapsid Phosphoprotein From Sars-Cov-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.05 Angstrom Resolution Crystal Structure of C-Terminal Dimerization Domain of Nucleocapsid Phosphoprotein From Sars-Cov-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:35.2
occ:1.00
 NE1 A:TRP301 3.2 14.1 1.0
O B:HOH562 3.4 22.1 1.0
CB B:ALA311 3.7 14.4 1.0
CD1 A:TRP301 4.0 14.7 1.0
CE2 A:TRP301 4.2 13.7 1.0
CB A:ALA305 4.4 14.9 1.0
O B:HOH545 4.4 21.4 1.0
CZ2 A:TRP301 4.6 12.9 1.0
CG2 A:THR296 4.6 16.5 1.0
O A:HOH510 4.8 27.7 1.0
CA B:ALA311 5.0 13.5 1.0

Chlorine binding site 2 out of 13 in 6wji

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Chlorine binding site 2 out of 13 in the 2.05 Angstrom Resolution Crystal Structure of C-Terminal Dimerization Domain of Nucleocapsid Phosphoprotein From Sars-Cov-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.05 Angstrom Resolution Crystal Structure of C-Terminal Dimerization Domain of Nucleocapsid Phosphoprotein From Sars-Cov-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:28.4
occ:0.50
 CL B:CL401 0.0 28.4 0.5
CL B:CL401 2.0 30.5 0.5
NE1 B:TRP301 3.2 15.0 1.0
O A:HOH570 3.2 18.1 1.0
CB A:ALA311 3.7 10.8 1.0
CE2 B:TRP301 4.1 14.9 1.0
CD1 B:TRP301 4.1 15.2 1.0
CB B:ALA305 4.3 13.1 1.0
CZ2 B:TRP301 4.4 14.9 1.0
CG2 B:THR296 4.4 13.8 1.0
O A:HOH556 4.5 23.0 1.0
O B:HOH523 4.9 24.6 1.0
CA A:ALA311 4.9 10.4 1.0

Chlorine binding site 3 out of 13 in 6wji

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Chlorine binding site 3 out of 13 in the 2.05 Angstrom Resolution Crystal Structure of C-Terminal Dimerization Domain of Nucleocapsid Phosphoprotein From Sars-Cov-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 2.05 Angstrom Resolution Crystal Structure of C-Terminal Dimerization Domain of Nucleocapsid Phosphoprotein From Sars-Cov-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:30.5
occ:0.50
 CL B:CL401 0.0 30.5 0.5
CL B:CL401 2.0 28.4 0.5
CB A:ALA311 4.0 10.8 1.0
O A:HOH556 4.1 23.0 1.0
CB B:ALA305 4.4 13.1 1.0
O A:HOH570 4.4 18.1 1.0
NE1 B:TRP301 4.7 15.0 1.0
O A:HOH583 4.9 21.6 1.0

Chlorine binding site 4 out of 13 in 6wji

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Chlorine binding site 4 out of 13 in the 2.05 Angstrom Resolution Crystal Structure of C-Terminal Dimerization Domain of Nucleocapsid Phosphoprotein From Sars-Cov-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 2.05 Angstrom Resolution Crystal Structure of C-Terminal Dimerization Domain of Nucleocapsid Phosphoprotein From Sars-Cov-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:41.2
occ:1.00
 NE1 C:TRP301 3.3 14.3 1.0
O D:HOH570 3.5 9.3 1.0
CB D:ALA311 3.8 12.5 1.0
CD1 C:TRP301 4.2 15.0 1.0
O D:HOH558 4.2 22.5 1.0
CB C:ALA305 4.3 14.5 1.0
CE2 C:TRP301 4.3 13.9 1.0
CZ2 C:TRP301 4.7 13.6 1.0
O C:HOH530 4.8 22.2 1.0

Chlorine binding site 5 out of 13 in 6wji

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Chlorine binding site 5 out of 13 in the 2.05 Angstrom Resolution Crystal Structure of C-Terminal Dimerization Domain of Nucleocapsid Phosphoprotein From Sars-Cov-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 2.05 Angstrom Resolution Crystal Structure of C-Terminal Dimerization Domain of Nucleocapsid Phosphoprotein From Sars-Cov-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl401

b:19.9
occ:0.50
 O B:HOH589 2.7 30.6 1.0
O B:HOH580 2.7 45.8 1.0
O C:HOH575 2.9 18.6 1.0
NE1 D:TRP301 3.0 14.0 1.0
CA B:ALA267 3.8 18.8 1.0
O B:LYS266 3.9 17.6 1.0
CD1 D:TRP301 3.9 14.7 1.0
CG2 D:THR296 3.9 15.7 1.0
O B:HOH558 4.0 18.9 1.0
CE2 D:TRP301 4.0 13.8 1.0
CB C:ALA311 4.1 13.3 1.0
CB B:ALA267 4.3 19.9 1.0
C B:LYS266 4.3 17.4 1.0
N B:ALA267 4.3 17.5 1.0
CZ2 D:TRP301 4.3 13.2 1.0
O D:HOH510 4.4 27.8 1.0
CB D:THR296 4.6 15.1 1.0
CB D:ALA305 4.6 13.4 1.0
O C:HOH503 4.7 29.1 1.0
C B:ALA267 4.8 17.9 1.0
N C:SER312 4.9 13.2 1.0
O B:ALA267 5.0 18.9 1.0

Chlorine binding site 6 out of 13 in 6wji

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Chlorine binding site 6 out of 13 in the 2.05 Angstrom Resolution Crystal Structure of C-Terminal Dimerization Domain of Nucleocapsid Phosphoprotein From Sars-Cov-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of 2.05 Angstrom Resolution Crystal Structure of C-Terminal Dimerization Domain of Nucleocapsid Phosphoprotein From Sars-Cov-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl402

b:23.8
occ:0.50
 CL D:CL402 0.0 23.8 0.5
CL D:CL402 1.7 28.4 0.5
N D:THR263 3.4 16.6 1.0
CA D:ARG262 3.8 15.9 1.0
O D:THR263 4.0 17.4 1.0
CB D:ARG262 4.1 15.3 1.0
CE2 D:TYR268 4.1 18.2 1.0
C D:ARG262 4.1 16.1 1.0
CD2 D:TYR268 4.3 18.6 1.0
CD D:LYS257 4.3 49.5 1.0
CA D:THR263 4.4 17.3 1.0
CG D:ARG262 4.5 16.4 1.0
CB D:THR263 4.6 19.4 1.0
C D:THR263 4.7 17.0 1.0
CG D:LYS257 4.7 47.8 1.0
CE D:LYS257 4.8 54.3 1.0
O D:LYS261 4.8 16.7 1.0
CB D:LYS257 4.9 43.3 1.0
OG1 D:THR263 4.9 21.1 1.0
N D:ARG262 5.0 15.4 1.0

Chlorine binding site 7 out of 13 in 6wji

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Chlorine binding site 7 out of 13 in the 2.05 Angstrom Resolution Crystal Structure of C-Terminal Dimerization Domain of Nucleocapsid Phosphoprotein From Sars-Cov-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of 2.05 Angstrom Resolution Crystal Structure of C-Terminal Dimerization Domain of Nucleocapsid Phosphoprotein From Sars-Cov-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl402

b:28.4
occ:0.50
 CL D:CL402 0.0 28.4 0.5
CL D:CL402 1.7 23.8 0.5
CG D:LYS257 3.8 47.8 1.0
CD D:LYS257 3.8 49.5 1.0
CB D:LYS257 4.0 43.3 1.0
N D:LYS257 4.3 41.8 1.0
CE D:LYS257 4.4 54.3 1.0
CE2 D:TYR268 4.4 18.2 1.0
CG D:ARG262 4.6 16.4 1.0
CA D:ARG262 4.6 15.9 1.0
CB D:ARG262 4.8 15.3 1.0
CD2 D:TYR268 4.8 18.6 1.0
CA D:LYS257 4.8 40.1 1.0
N D:THR263 5.0 16.6 1.0

Chlorine binding site 8 out of 13 in 6wji

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Chlorine binding site 8 out of 13 in the 2.05 Angstrom Resolution Crystal Structure of C-Terminal Dimerization Domain of Nucleocapsid Phosphoprotein From Sars-Cov-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of 2.05 Angstrom Resolution Crystal Structure of C-Terminal Dimerization Domain of Nucleocapsid Phosphoprotein From Sars-Cov-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl401

b:18.7
occ:0.50
 CL E:CL401 0.0 18.7 0.5
CL E:CL401 1.6 26.6 0.5
O E:HOH604 2.9 44.1 1.0
O F:HOH568 3.1 14.2 1.0
NE1 E:TRP301 3.2 13.6 1.0
CB F:ALA311 4.0 12.5 1.0
CE2 E:TRP301 4.1 12.9 1.0
CD1 E:TRP301 4.2 14.0 1.0
O F:HOH551 4.3 14.7 1.0
CG2 E:THR296 4.3 14.8 1.0
CZ2 E:TRP301 4.4 12.4 1.0
O F:HOH597 4.4 30.6 1.0
O E:HOH603 4.4 34.7 1.0
CB E:ALA305 4.5 13.8 1.0

Chlorine binding site 9 out of 13 in 6wji

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Chlorine binding site 9 out of 13 in the 2.05 Angstrom Resolution Crystal Structure of C-Terminal Dimerization Domain of Nucleocapsid Phosphoprotein From Sars-Cov-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of 2.05 Angstrom Resolution Crystal Structure of C-Terminal Dimerization Domain of Nucleocapsid Phosphoprotein From Sars-Cov-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl401

b:26.6
occ:0.50
 CL E:CL401 0.0 26.6 0.5
CL E:CL401 1.6 18.7 0.5
O F:HOH597 2.9 30.6 1.0
O E:HOH604 3.6 44.1 1.0
O F:HOH551 3.9 14.7 1.0
O E:HOH603 3.9 34.7 1.0
CB F:ALA311 4.1 12.5 1.0
O F:HOH568 4.1 14.2 1.0
NE1 E:TRP301 4.3 13.6 1.0
CB E:ALA305 4.3 13.8 1.0

Chlorine binding site 10 out of 13 in 6wji

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Chlorine binding site 10 out of 13 in the 2.05 Angstrom Resolution Crystal Structure of C-Terminal Dimerization Domain of Nucleocapsid Phosphoprotein From Sars-Cov-2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of 2.05 Angstrom Resolution Crystal Structure of C-Terminal Dimerization Domain of Nucleocapsid Phosphoprotein From Sars-Cov-2 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl402

b:39.1
occ:1.00
 O E:HOH610 2.9 40.9 1.0
O E:HOH548 3.4 23.2 1.0
N E:THR263 3.6 15.3 1.0
O E:HOH534 3.7 24.1 1.0
CA E:ARG262 3.8 15.1 1.0
CD E:LYS257 4.0 39.2 1.0
CB E:ARG262 4.1 15.4 1.0
NZ E:LYS257 4.2 44.2 1.0
C E:ARG262 4.2 15.1 1.0
CE2 E:TYR268 4.2 15.1 1.0
CG E:ARG262 4.2 16.2 1.0
O E:THR263 4.3 14.6 1.0
CE E:LYS257 4.4 42.7 1.0
CD2 E:TYR268 4.4 14.8 1.0
CA E:THR263 4.6 15.9 1.0
CB E:THR263 4.8 17.9 1.0
CB E:LYS257 4.8 36.3 1.0
O E:LYS261 4.8 16.1 1.0
C E:THR263 4.9 14.7 1.0
CG E:LYS257 4.9 37.7 1.0
N E:ARG262 4.9 15.0 1.0

Reference:

G.Minasov, L.Shuvalova, G.Wiersum, K.J.F.Satchell. 2.05 Angstrom Resolution Crystal Structure of C-Terminal Dimerization Domain of Nucleocapsid Phosphoprotein From Sars-Cov-2 To Be Published.
Page generated: Mon Jul 29 16:47:40 2024

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