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Chlorine in PDB 3os4: The Crystal Structure of Nicotinate Phosphoribosyltransferase From Yersinia Pestis

Enzymatic activity of The Crystal Structure of Nicotinate Phosphoribosyltransferase From Yersinia Pestis

All present enzymatic activity of The Crystal Structure of Nicotinate Phosphoribosyltransferase From Yersinia Pestis:
2.4.2.11;

Protein crystallography data

The structure of The Crystal Structure of Nicotinate Phosphoribosyltransferase From Yersinia Pestis, PDB code: 3os4 was solved by N.Maltseva, Y.Kim, M.Gu, W.F.Anderson, A.Joachimiak, 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) 33.93 / 1.60
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 47.394, 50.681, 87.184, 81.95, 83.39, 71.95
R / Rfree (%) 16.2 / 19.3

Other elements in 3os4:

The structure of The Crystal Structure of Nicotinate Phosphoribosyltransferase From Yersinia Pestis also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of Nicotinate Phosphoribosyltransferase From Yersinia Pestis (pdb code 3os4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the The Crystal Structure of Nicotinate Phosphoribosyltransferase From Yersinia Pestis, PDB code: 3os4:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 3os4

Go back to Chlorine Binding Sites List in 3os4
Chlorine binding site 1 out of 5 in the The Crystal Structure of Nicotinate Phosphoribosyltransferase From Yersinia Pestis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Nicotinate Phosphoribosyltransferase From Yersinia Pestis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl417

b:32.7
occ:1.00
 O A:HOH686 2.9 35.1 1.0
N A:LEU47 3.1 19.9 1.0
N A:LEU107 3.2 25.0 1.0
O A:GLU45 3.5 46.6 1.0
CB A:LEU47 3.8 16.2 1.0
CA A:LYS106 3.8 30.5 1.0
CB A:LEU107 3.9 22.6 1.0
CA A:LEU46 3.9 38.5 1.0
CA A:LEU47 4.0 18.2 1.0
CG A:LEU47 4.0 16.7 1.0
C A:LEU46 4.0 32.9 1.0
C A:LYS106 4.0 26.7 1.0
CB A:CYS41 4.1 20.1 1.0
CA A:LEU107 4.1 23.6 1.0
CB A:LYS106 4.2 35.2 1.0
C A:GLU45 4.4 44.5 1.0
O A:LEU107 4.4 22.7 1.0
CD1 A:LEU47 4.5 16.8 1.0
N A:GLY48 4.5 19.9 1.0
C A:LEU47 4.6 20.6 1.0
O A:GLY105 4.6 27.6 1.0
CG A:LYS106 4.6 46.4 1.0
N A:LEU46 4.6 36.3 1.0
CD2 A:LEU46 4.7 47.6 1.0
CE1 A:PHE39 4.7 14.8 1.0
C A:LEU107 4.8 22.5 1.0
SG A:CYS41 4.8 30.7 1.0
CB A:LEU46 5.0 46.4 1.0

Chlorine binding site 2 out of 5 in 3os4

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Chlorine binding site 2 out of 5 in the The Crystal Structure of Nicotinate Phosphoribosyltransferase From Yersinia Pestis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Nicotinate Phosphoribosyltransferase From Yersinia Pestis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl419

b:60.0
occ:1.00
 O A:HOH747 2.8 26.4 1.0
O A:HOH918 2.9 36.1 1.0
O A:HOH808 3.0 47.5 1.0
NE A:ARG182 3.3 20.3 0.3
ND1 A:HIS186 3.4 26.9 1.0
NH1 A:ARG182 3.5 26.9 0.3
CZ A:ARG182 3.6 24.5 0.3
CB A:HIS186 3.7 10.8 1.0
O A:HOH520 3.8 17.5 1.0
CG A:ARG182 3.8 13.4 0.3
CG A:HIS186 3.9 16.9 1.0
CG A:ARG182 3.9 13.1 0.7
O A:HOH766 3.9 43.5 1.0
O A:HOH714 4.0 44.1 1.0
CD A:ARG182 4.1 20.5 0.7
CD A:ARG182 4.2 17.8 0.3
CD2 A:LEU207 4.2 15.3 1.0
OD2 A:ASP206 4.2 18.8 1.0
CE1 A:HIS186 4.4 22.7 1.0
O A:ARG182 4.4 11.2 0.3
O A:ARG182 4.5 11.3 0.7
O A:HOH634 4.5 22.0 1.0
NH2 A:ARG182 4.5 27.0 0.3
NE A:ARG182 4.6 21.9 0.7
CA A:HIS186 4.9 12.2 1.0
C A:ARG182 4.9 10.8 0.7
C A:ARG182 5.0 10.8 0.3
CD2 A:HIS186 5.0 24.2 1.0

Chlorine binding site 3 out of 5 in 3os4

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Chlorine binding site 3 out of 5 in the The Crystal Structure of Nicotinate Phosphoribosyltransferase From Yersinia Pestis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of Nicotinate Phosphoribosyltransferase From Yersinia Pestis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl420

b:27.8
occ:1.00
 N A:LEU319 3.2 14.5 1.0
NZ A:LYS153 3.3 20.8 1.0
O A:HOH881 3.3 28.9 1.0
CD A:LYS153 3.6 23.0 1.0
NH1 A:ARG342 3.6 40.7 0.7
CB A:ASP318 3.6 18.2 1.0
O A:ARG342 3.7 16.7 0.7
CD1 A:ILE339 3.7 14.7 0.5
O A:ARG342 3.7 16.4 0.3
CA A:ASP318 3.7 16.3 1.0
CB A:ARG342 3.8 12.2 0.7
CB A:LEU319 3.8 17.0 1.0
CB A:ARG342 3.8 14.8 0.3
CE A:LYS153 3.9 21.8 1.0
NE A:ARG342 3.9 35.0 0.7
C A:ASP318 3.9 13.2 1.0
CZ A:ARG342 4.0 42.0 0.7
CA A:LEU319 4.1 13.3 1.0
C A:ARG342 4.3 14.1 0.7
C A:ARG342 4.3 14.2 0.3
CA A:ARG342 4.6 12.9 0.7
OD2 A:ASP346 4.6 18.1 0.7
CA A:ARG342 4.7 13.2 0.3
CG A:ARG342 4.8 18.7 0.7
CG A:LYS153 4.8 20.3 1.0
CG2 A:ILE339 4.9 11.4 0.6
CG A:ASP318 4.9 28.5 1.0
CD A:ARG342 4.9 29.4 0.3
CG A:ARG342 4.9 19.1 0.3
CG1 A:ILE339 4.9 12.1 0.5
CD A:ARG342 4.9 26.2 0.7

Chlorine binding site 4 out of 5 in 3os4

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Chlorine binding site 4 out of 5 in the The Crystal Structure of Nicotinate Phosphoribosyltransferase From Yersinia Pestis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of Nicotinate Phosphoribosyltransferase From Yersinia Pestis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl415

b:31.3
occ:1.00
 O B:HOH687 2.9 39.3 1.0
N B:LEU107 3.2 24.3 1.0
N B:LEU47 3.2 23.7 1.0
CA B:LYS106 3.6 33.0 1.0
CB B:LEU47 3.6 20.8 1.0
CB B:LYS106 3.8 41.5 1.0
CB B:LEU107 3.8 25.9 1.0
O B:GLU45 3.9 39.9 0.8
CG B:LEU47 3.9 24.1 1.0
C B:LYS106 3.9 29.0 1.0
CB B:CYS41 3.9 25.4 1.0
CA B:LEU47 3.9 23.8 1.0
O B:GLU45 3.9 40.3 0.2
CA B:LEU107 4.1 25.0 1.0
C B:LEU46 4.2 33.4 1.0
CA B:LEU46 4.3 38.7 1.0
CD B:LYS106 4.3 62.1 1.0
CD1 B:LEU47 4.4 22.9 1.0
CG B:LYS106 4.4 52.2 1.0
N B:GLY48 4.5 23.7 1.0
O B:LEU107 4.5 25.6 1.0
C B:LEU47 4.5 21.0 1.0
SG B:CYS41 4.6 34.5 1.0
CE1 B:PHE39 4.7 22.7 1.0
O B:GLY105 4.7 25.5 1.0
C B:LEU107 4.8 25.1 1.0
C B:GLU45 4.9 40.3 0.8
N B:LYS106 4.9 27.4 1.0
C B:GLU45 4.9 40.5 0.2
O B:HOH574 4.9 27.4 1.0
CD2 B:LEU46 5.0 39.7 1.0

Chlorine binding site 5 out of 5 in 3os4

Go back to Chlorine Binding Sites List in 3os4
Chlorine binding site 5 out of 5 in the The Crystal Structure of Nicotinate Phosphoribosyltransferase From Yersinia Pestis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Crystal Structure of Nicotinate Phosphoribosyltransferase From Yersinia Pestis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl418

b:39.5
occ:1.00
 O B:HOH797 2.6 33.3 1.0
N B:HIS32 3.0 19.9 1.0
CB B:HIS32 3.5 29.0 1.0
C B:TYR30 3.6 21.1 1.0
CA B:HIS32 3.6 21.8 1.0
N B:ARG31 3.6 20.1 1.0
CA B:TYR30 3.7 16.9 1.0
N B:ILE33 3.8 15.6 1.0
C B:HIS32 3.9 16.8 1.0
CD2 B:HIS32 4.0 47.8 1.0
CG1 B:ILE33 4.1 21.4 1.0
O B:TYR30 4.1 16.5 1.0
C B:ARG31 4.1 20.5 1.0
CG B:HIS32 4.1 43.8 1.0
CD1 B:ILE33 4.3 21.9 1.0
CA B:ARG31 4.4 24.7 1.0
O B:HOH485 4.4 27.0 1.0
O B:HIS29 4.4 20.9 1.0
N B:TYR30 4.7 17.0 1.0
CB B:TYR30 4.7 14.0 1.0
CA B:ILE33 4.8 14.8 1.0
O B:HIS32 4.8 20.2 1.0
CB B:ILE33 4.9 18.8 1.0
C B:HIS29 5.0 23.1 1.0
CB B:ARG31 5.0 32.5 1.0

Reference:

N.Maltseva, Y.Kim, M.Gu, W.F.Anderson, A.Joachimiak. The Crystal Structure of Nicotinate Phosphoribosyltransferase From Yersinia Pestis To Be Published.
Page generated: Fri Jul 11 08:51:21 2025

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