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Chlorine in PDB 4o12: Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation By Human Nicotinamide Phosphoribosyltransferase

Enzymatic activity of Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation By Human Nicotinamide Phosphoribosyltransferase

All present enzymatic activity of Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation By Human Nicotinamide Phosphoribosyltransferase:
2.4.2.12;

Protein crystallography data

The structure of Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation By Human Nicotinamide Phosphoribosyltransferase, PDB code: 4o12 was solved by A.Oh, W.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.76 / 2.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 60.570, 106.505, 83.174, 90.00, 96.64, 90.00
R / Rfree (%) 20.9 / 25.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation By Human Nicotinamide Phosphoribosyltransferase (pdb code 4o12). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation By Human Nicotinamide Phosphoribosyltransferase, PDB code: 4o12:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4o12

Go back to Chlorine Binding Sites List in 4o12
Chlorine binding site 1 out of 4 in the Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation By Human Nicotinamide Phosphoribosyltransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation By Human Nicotinamide Phosphoribosyltransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:34.4
occ:0.50
 CL1 A:2QG601 0.0 34.4 0.5
C3 A:2QG601 1.7 13.6 0.5
C4 A:2QG601 2.7 13.1 0.5
C2 A:2QG601 2.7 13.3 0.5
O A:HOH911 3.9 23.9 1.0
CB A:TYR240 4.0 16.7 1.0
C5 A:2QG601 4.0 13.1 0.5
C1 A:2QG601 4.0 13.6 0.5
CG1 A:VAL242 4.1 15.4 1.0
CE2 A:TYR188 4.1 18.0 1.0
CD2 A:TYR188 4.4 16.7 1.0
C6 A:2QG601 4.5 13.0 0.5
O A:SER241 4.8 17.0 1.0
N A:SER241 4.8 15.2 1.0
CG A:TYR240 4.8 18.9 1.0
CZ A:TYR188 4.8 19.8 1.0
C A:TYR240 4.9 14.7 1.0
C A:SER241 4.9 16.5 1.0

Chlorine binding site 2 out of 4 in 4o12

Go back to Chlorine Binding Sites List in 4o12
Chlorine binding site 2 out of 4 in the Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation By Human Nicotinamide Phosphoribosyltransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation By Human Nicotinamide Phosphoribosyltransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:12.9
occ:0.50
 CL1 A:2QG601 0.0 12.9 0.5
C3 A:2QG601 1.7 3.5 0.5
C2 A:2QG601 2.7 5.1 0.5
C4 A:2QG601 2.7 6.3 0.5
O A:GLU376 3.3 19.0 1.0
NZ A:LYS189 3.5 21.9 1.0
CD A:ARG349 3.5 15.9 1.0
C A:ILE378 3.7 15.0 1.0
CG A:ARG349 3.8 16.1 1.0
O A:ASN377 3.8 18.9 1.0
N A:ILE378 3.8 17.8 1.0
C A:ASN377 3.8 17.3 1.0
O A:ILE378 3.9 14.7 1.0
N A:ALA379 4.0 15.5 1.0
C5 A:2QG601 4.0 6.9 0.5
C1 A:2QG601 4.0 3.5 0.5
CB A:ARG349 4.0 15.8 1.0
NE A:ARG349 4.0 17.1 1.0
CA A:ILE378 4.1 16.1 1.0
C A:GLU376 4.2 18.5 1.0
CB A:ALA379 4.4 16.8 1.0
O A:HOH897 4.5 26.1 1.0
C6 A:2QG601 4.5 7.8 0.5
CA A:ASN377 4.6 13.7 1.0
CA A:ALA379 4.7 16.2 1.0
O A:VAL350 4.7 12.7 1.0
N A:ASN377 4.8 13.9 1.0
CE A:LYS189 4.9 21.5 1.0

Chlorine binding site 3 out of 4 in 4o12

Go back to Chlorine Binding Sites List in 4o12
Chlorine binding site 3 out of 4 in the Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation By Human Nicotinamide Phosphoribosyltransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation By Human Nicotinamide Phosphoribosyltransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl601

b:3.8
occ:0.50
 CL1 B:2QG601 0.0 3.8 0.5
C3 B:2QG601 1.7 3.1 0.5
C4 B:2QG601 2.7 3.1 0.5
C2 B:2QG601 2.7 3.5 0.5
O B:GLU376 3.1 19.9 1.0
NZ B:LYS189 3.4 14.1 1.0
C B:ILE378 3.5 10.0 1.0
O B:ILE378 3.6 13.4 1.0
N B:ILE378 3.6 10.2 1.0
CD B:ARG349 3.7 16.7 1.0
C B:ASN377 3.8 11.3 1.0
O B:ASN377 3.8 10.4 1.0
CA B:ILE378 3.9 8.4 1.0
N B:ALA379 3.9 10.5 1.0
CG B:ARG349 3.9 15.0 1.0
C5 B:2QG601 4.0 5.6 0.5
C1 B:2QG601 4.0 4.6 0.5
C B:GLU376 4.1 19.8 1.0
NE B:ARG349 4.2 18.9 1.0
CB B:ARG349 4.2 14.4 1.0
CB B:ALA379 4.4 12.7 1.0
O B:HOH785 4.4 27.3 1.0
C6 B:2QG601 4.5 6.6 0.5
CA B:ASN377 4.6 14.0 1.0
CA B:ALA379 4.6 12.8 1.0
O B:VAL350 4.7 10.6 1.0
N B:ASN377 4.7 15.5 1.0
O B:HOH985 4.8 25.1 1.0
CE B:LYS189 4.9 15.9 1.0
CA B:GLU376 5.0 23.5 1.0

Chlorine binding site 4 out of 4 in 4o12

Go back to Chlorine Binding Sites List in 4o12
Chlorine binding site 4 out of 4 in the Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation By Human Nicotinamide Phosphoribosyltransferase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation By Human Nicotinamide Phosphoribosyltransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl601

b:62.2
occ:0.50
 CL1 B:2QG601 0.0 62.2 0.5
C3 B:2QG601 1.7 14.2 0.5
C2 B:2QG601 2.7 14.4 0.5
C4 B:2QG601 2.7 14.1 0.5
O B:HOH862 2.9 29.3 1.0
O B:HOH938 3.0 27.8 1.0
C1 B:2QG601 4.0 14.5 0.5
C5 B:2QG601 4.0 13.7 0.5
CE2 B:TYR188 4.3 25.1 1.0
CG1 B:VAL242 4.4 13.5 1.0
CB B:TYR240 4.5 14.3 1.0
C6 B:2QG601 4.5 14.2 0.5
CD2 B:TYR188 4.7 24.7 1.0
CZ B:TYR188 4.7 24.6 1.0
OH B:TYR188 4.9 25.7 1.0

Reference:

A.Oh, Y.C.Ho, M.Zak, Y.Liu, X.Chen, P.W.Yuen, X.Zheng, Y.Liu, P.S.Dragovich, W.Wang. Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation By Human Nicotinamide Phosphoribosyltransferase. Chembiochem V. 15 1121 2014.
ISSN: ISSN 1439-4227
PubMed: 24797455
DOI: 10.1002/CBIC.201402023
Page generated: Sat Dec 12 10:59:52 2020

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