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Fluorine in PDB 4o0z: 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: 4o0z 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) 46.25 / 2.05
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 60.396, 106.331, 82.974, 90.00, 96.14, 90.00
R / Rfree (%) 21 / 26.1

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation By Human Nicotinamide Phosphoribosyltransferase (pdb code 4o0z). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Structural and Biochemical Analyses of the Catalysis and Potency Impact of Inhibitor Phosphoribosylation By Human Nicotinamide Phosphoribosyltransferase, PDB code: 4o0z:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 4o0z

Go back to Fluorine Binding Sites List in 4o0z
Fluorine 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 Fluorine with other atoms in the F 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:F601

b:24.5
occ:1.00
 F29 A:2RM601 0.0 24.5 1.0
C27 A:2RM601 1.3 29.5 1.0
C26 A:2RM601 2.4 29.7 1.0
C28 A:2RM601 2.4 32.0 1.0
O A:HOH997 3.1 29.7 1.0
C25 A:2RM601 3.6 32.6 1.0
C23 A:2RM601 3.6 34.9 1.0
CB A:PRO273 3.7 10.6 1.0
CG A:PRO273 3.7 9.5 1.0
CG1 A:VAL242 3.9 13.2 1.0
O A:HOH1019 4.1 30.6 1.0
C24 A:2RM601 4.1 35.1 1.0
CG2 A:VAL242 4.3 13.2 1.0
O A:HOH914 4.5 28.3 1.0
CD1 A:ILE309 4.5 9.2 1.0
CB A:VAL242 4.7 14.9 1.0
F30 A:2RM601 4.7 31.7 1.0

Fluorine binding site 2 out of 4 in 4o0z

Go back to Fluorine Binding Sites List in 4o0z
Fluorine 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 Fluorine with other atoms in the F 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:F601

b:31.7
occ:1.00
 F30 A:2RM601 0.0 31.7 1.0
C25 A:2RM601 1.4 32.6 1.0
C26 A:2RM601 2.4 29.7 1.0
C24 A:2RM601 2.4 35.1 1.0
CD1 A:TYR188 3.4 12.1 1.0
C27 A:2RM601 3.6 29.5 1.0
C23 A:2RM601 3.6 34.9 1.0
CE1 A:TYR188 3.7 12.7 1.0
O A:TYR240 3.8 11.5 1.0
C A:TYR240 4.0 10.9 1.0
CA A:SER241 4.1 11.2 1.0
C28 A:2RM601 4.1 32.0 1.0
O A:HOH773 4.2 13.1 1.0
CE1 A:HIS191 4.2 11.1 1.0
N A:SER241 4.2 7.7 1.0
CB A:TYR240 4.3 11.6 1.0
ND1 A:HIS191 4.4 9.2 1.0
O A:HOH914 4.4 28.3 1.0
C A:SER241 4.5 13.1 1.0
CG A:TYR188 4.5 12.0 1.0
CA A:GLY217 4.5 9.8 1.0
CG1 A:VAL242 4.5 13.2 1.0
O A:HOH976 4.7 35.8 1.0
F29 A:2RM601 4.7 24.5 1.0
CA A:TYR240 4.8 9.0 1.0
N A:VAL242 4.9 14.2 1.0
CZ A:TYR188 4.9 12.2 1.0
O A:SER241 4.9 8.8 1.0
CB A:TYR188 5.0 11.9 1.0

Fluorine binding site 3 out of 4 in 4o0z

Go back to Fluorine Binding Sites List in 4o0z
Fluorine 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 Fluorine with other atoms in the F 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:F601

b:38.6
occ:1.00
 F29 B:2RM601 0.0 38.6 1.0
C27 B:2RM601 1.3 38.2 1.0
C26 B:2RM601 2.4 37.7 1.0
C28 B:2RM601 2.4 39.5 1.0
C25 B:2RM601 3.6 36.9 1.0
C23 B:2RM601 3.6 41.8 1.0
CB B:PRO273 4.0 12.1 1.0
CG1 B:VAL242 4.0 11.3 1.0
CG B:PRO273 4.1 12.8 1.0
C24 B:2RM601 4.1 40.5 1.0
CD1 B:ILE309 4.6 5.4 1.0
F30 B:2RM601 4.7 33.4 1.0
O B:HOH888 4.8 27.1 1.0
CG2 B:VAL242 4.8 3.2 1.0

Fluorine binding site 4 out of 4 in 4o0z

Go back to Fluorine Binding Sites List in 4o0z
Fluorine 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 Fluorine with other atoms in the F 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:F601

b:33.4
occ:1.00
 F30 B:2RM601 0.0 33.4 1.0
C25 B:2RM601 1.3 36.9 1.0
C24 B:2RM601 2.4 40.5 1.0
C26 B:2RM601 2.4 37.7 1.0
CD1 B:TYR188 3.3 11.9 1.0
C23 B:2RM601 3.6 41.8 1.0
C27 B:2RM601 3.6 38.2 1.0
CE1 B:TYR188 3.6 14.4 1.0
O B:HOH710 3.8 11.7 1.0
O B:TYR240 3.9 5.3 1.0
C B:TYR240 4.1 8.1 1.0
C28 B:2RM601 4.1 39.5 1.0
CA B:SER241 4.1 13.0 1.0
N B:SER241 4.3 7.5 1.0
CE1 B:HIS191 4.3 6.1 1.0
ND1 B:HIS191 4.4 9.2 1.0
CG B:TYR188 4.4 13.2 1.0
CB B:TYR240 4.4 9.0 1.0
CG1 B:VAL242 4.5 11.3 1.0
C B:SER241 4.5 15.7 1.0
CA B:GLY217 4.6 9.2 1.0
F29 B:2RM601 4.7 38.6 1.0
N B:VAL242 4.8 15.2 1.0
CB B:TYR188 4.9 12.0 1.0
CZ B:TYR188 4.9 12.2 1.0
CA B:TYR240 4.9 8.2 1.0
O B:SER241 5.0 17.9 1.0
C16 B:2RM601 5.0 26.3 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: Sun Dec 13 12:09:16 2020

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