Atomistry » Fluorine » PDB 4l3o-4luv » 4l4m
Atomistry »
  Fluorine »
    PDB 4l3o-4luv »
      4l4m »

Fluorine in PDB 4l4m: Structural Analysis of A Phosphoribosylated Inhibitor in Complex with Human Nicotinamide Phosphoribosyltransferase

Enzymatic activity of Structural Analysis of A Phosphoribosylated Inhibitor in Complex with Human Nicotinamide Phosphoribosyltransferase

All present enzymatic activity of Structural Analysis of A Phosphoribosylated Inhibitor in Complex with Human Nicotinamide Phosphoribosyltransferase:
2.4.2.12;

Protein crystallography data

The structure of Structural Analysis of A Phosphoribosylated Inhibitor in Complex with Human Nicotinamide Phosphoribosyltransferase, PDB code: 4l4m was solved by A.Oh, Y.Ho, M.Zak, Y.Liu, P.Yuen, X.Zheng, S.P.Dragovich, W.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.10 / 2.44
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 60.579, 107.056, 82.998, 90.00, 96.47, 90.00
R / Rfree (%) 20.8 / 25.1

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structural Analysis of A Phosphoribosylated Inhibitor in Complex with Human Nicotinamide Phosphoribosyltransferase (pdb code 4l4m). 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 Analysis of A Phosphoribosylated Inhibitor in Complex with Human Nicotinamide Phosphoribosyltransferase, PDB code: 4l4m:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 4l4m

Go back to Fluorine Binding Sites List in 4l4m
Fluorine binding site 1 out of 4 in the Structural Analysis of A Phosphoribosylated Inhibitor in Complex with 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 Analysis of A Phosphoribosylated Inhibitor in Complex with Human Nicotinamide Phosphoribosyltransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:56.2
occ:1.00
 F29 A:1XD601 0.0 56.2 1.0
C27 A:1XD601 1.4 57.2 1.0
C28 A:1XD601 2.4 57.8 1.0
C26 A:1XD601 2.4 57.6 1.0
CD1 A:TYR188 3.5 15.3 1.0
C23 A:1XD601 3.6 58.9 1.0
C25 A:1XD601 3.6 58.2 1.0
O A:HOH837 3.8 18.0 1.0
CE1 A:TYR188 3.8 15.8 1.0
O A:TYR240 3.9 12.7 1.0
C24 A:1XD601 4.1 59.1 1.0
C A:TYR240 4.2 14.0 1.0
CA A:SER241 4.2 17.6 1.0
CE1 A:HIS191 4.2 13.9 1.0
ND1 A:HIS191 4.3 13.5 1.0
N A:SER241 4.3 15.9 1.0
CA A:GLY217 4.5 9.8 1.0
CB A:TYR240 4.5 12.5 1.0
C A:SER241 4.6 19.3 1.0
CG A:TYR188 4.6 12.5 1.0
CG1 A:VAL242 4.7 17.7 1.0
F30 A:1XD601 4.7 57.9 1.0
CA A:TYR240 5.0 12.1 1.0
O A:SER241 5.0 20.6 1.0
N A:VAL242 5.0 19.0 1.0

Fluorine binding site 2 out of 4 in 4l4m

Go back to Fluorine Binding Sites List in 4l4m
Fluorine binding site 2 out of 4 in the Structural Analysis of A Phosphoribosylated Inhibitor in Complex with 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 Analysis of A Phosphoribosylated Inhibitor in Complex with Human Nicotinamide Phosphoribosyltransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:57.9
occ:1.00
 F30 A:1XD601 0.0 57.9 1.0
C25 A:1XD601 1.4 58.2 1.0
C26 A:1XD601 2.4 57.6 1.0
C24 A:1XD601 2.4 59.1 1.0
C23 A:1XD601 3.6 58.9 1.0
C27 A:1XD601 3.6 57.2 1.0
O A:HOH830 3.7 16.2 1.0
CB A:PRO273 3.9 11.3 1.0
CG A:PRO273 3.9 10.6 1.0
CG1 A:VAL242 4.0 17.7 1.0
C28 A:1XD601 4.1 57.8 1.0
CD1 A:ILE309 4.3 13.6 1.0
O A:HOH826 4.4 28.4 1.0
F29 A:1XD601 4.7 56.2 1.0
CG2 A:VAL242 5.0 20.0 1.0

Fluorine binding site 3 out of 4 in 4l4m

Go back to Fluorine Binding Sites List in 4l4m
Fluorine binding site 3 out of 4 in the Structural Analysis of A Phosphoribosylated Inhibitor in Complex with 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 Analysis of A Phosphoribosylated Inhibitor in Complex with Human Nicotinamide Phosphoribosyltransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F601

b:63.4
occ:1.00
 F29 B:1XD601 0.0 63.4 1.0
C27 B:1XD601 1.4 64.2 1.0
C26 B:1XD601 2.4 63.9 1.0
C28 B:1XD601 2.4 64.8 1.0
C23 B:1XD601 3.6 65.4 1.0
C25 B:1XD601 3.6 63.8 1.0
CG1 B:VAL242 3.8 16.4 1.0
CB B:PRO273 3.9 16.6 1.0
C24 B:1XD601 4.1 64.8 1.0
CG B:PRO273 4.2 14.9 1.0
CD1 B:ILE309 4.3 4.5 1.0
F30 B:1XD601 4.7 62.7 1.0
CG2 B:VAL242 4.9 16.0 1.0
CB B:VAL242 4.9 17.0 1.0

Fluorine binding site 4 out of 4 in 4l4m

Go back to Fluorine Binding Sites List in 4l4m
Fluorine binding site 4 out of 4 in the Structural Analysis of A Phosphoribosylated Inhibitor in Complex with 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 Analysis of A Phosphoribosylated Inhibitor in Complex with Human Nicotinamide Phosphoribosyltransferase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F601

b:62.7
occ:1.00
 F30 B:1XD601 0.0 62.7 1.0
C25 B:1XD601 1.4 63.8 1.0
C26 B:1XD601 2.4 63.9 1.0
C24 B:1XD601 2.4 64.8 1.0
CD1 B:TYR188 3.4 16.7 1.0
C27 B:1XD601 3.6 64.2 1.0
C23 B:1XD601 3.6 65.4 1.0
CE1 B:TYR188 3.8 17.1 1.0
O B:HOH782 3.9 1.9 1.0
O B:TYR240 4.0 9.1 1.0
C28 B:1XD601 4.1 64.8 1.0
C B:TYR240 4.2 8.3 1.0
CB B:TYR240 4.4 4.8 1.0
CA B:SER241 4.4 16.4 1.0
CE1 B:HIS191 4.4 8.6 1.0
N B:SER241 4.4 12.3 1.0
CG B:TYR188 4.4 14.0 1.0
ND1 B:HIS191 4.5 7.4 1.0
CA B:GLY217 4.6 14.2 1.0
CG1 B:VAL242 4.6 16.4 1.0
C B:SER241 4.7 18.1 1.0
F29 B:1XD601 4.7 63.4 1.0
CB B:TYR188 4.8 11.3 1.0
CA B:TYR240 4.9 6.8 1.0
N B:VAL242 4.9 18.7 1.0
CZ B:TYR188 5.0 17.4 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: Thu Aug 1 03:21:59 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy