Fluorine in PDB 8f8e: Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-8268 Compound

Enzymatic activity of Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-8268 Compound

All present enzymatic activity of Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-8268 Compound:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-8268 Compound, PDB code: 8f8e was solved by S.Kimani, A.Li, A.Dong, Y.Li, A.Hutchinson, A.Seitova, B.Wilson, R.Al-Awar, M.Vedadi, P.Brown, C.H.Arrowsmith, A.M.Edwards, L.Halabelian, Structuralgenomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.08 / 1.55
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 48.865, 88.084, 73.562, 90, 97.56, 90
R / Rfree (%) 18.1 / 20.9

Other elements in 8f8e:

The structure of Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-8268 Compound also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-8268 Compound (pdb code 8f8e). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-8268 Compound, PDB code: 8f8e:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 8f8e

Go back to Fluorine Binding Sites List in 8f8e
Fluorine binding site 1 out of 4 in the Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-8268 Compound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-8268 Compound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1401

b:25.1
occ:1.00
 F1 A:XJI1401 0.0 25.1 1.0
C14 A:XJI1401 1.4 21.6 1.0
C15 A:XJI1401 2.3 22.3 1.0
C13 A:XJI1401 2.4 22.5 1.0
CL1 A:XJI1401 3.0 24.9 1.0
CB A:ALA1311 3.1 20.3 1.0
N A:ALA1311 3.3 19.8 1.0
CD2 A:LEU1357 3.5 24.7 1.0
C A:GLY1310 3.5 21.6 1.0
C16 A:XJI1401 3.6 19.8 1.0
C12 A:XJI1401 3.6 20.3 1.0
CA A:ALA1311 3.8 20.3 1.0
CG A:LEU1357 3.9 24.6 1.0
CA A:GLY1310 3.9 19.6 1.0
N A:GLY1310 4.0 19.3 1.0
O A:GLY1310 4.0 22.6 1.0
C11 A:XJI1401 4.1 20.1 1.0
CB A:PHE1334 4.1 25.2 1.0
C A:TYR1309 4.2 19.7 1.0
O A:ARG1298 4.2 17.2 1.0
CB A:TYR1309 4.3 19.9 1.0
O A:TYR1309 4.3 21.2 1.0
CD1 A:LEU1357 4.4 24.7 1.0
CA A:TYR1309 4.9 20.0 1.0
CG A:PHE1334 4.9 24.2 1.0
C A:ALA1311 5.0 20.7 1.0

Fluorine binding site 2 out of 4 in 8f8e

Go back to Fluorine Binding Sites List in 8f8e
Fluorine binding site 2 out of 4 in the Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-8268 Compound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-8268 Compound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1401

b:20.0
occ:1.00
 F A:XJI1401 0.0 20.0 1.0
C5 A:XJI1401 1.3 19.6 1.0
C6 A:XJI1401 2.3 20.2 1.0
C4 A:XJI1401 2.3 19.6 1.0
C3 A:XJI1401 2.8 18.4 1.0
O A:XJI1401 3.1 20.2 1.0
C1 A:XJI1401 3.2 18.3 1.0
CD2 A:HIS1140 3.3 22.7 1.0
CE1 A:TYR1181 3.3 20.9 1.0
NH1 A:ARG1298 3.3 19.1 1.0
C A:XJI1401 3.3 18.9 1.0
C7 A:XJI1401 3.6 21.9 1.0
C9 A:XJI1401 3.6 21.2 1.0
CG A:HIS1140 3.8 20.9 1.0
CD1 A:TYR1181 3.8 20.6 1.0
CZ A:ARG1298 3.8 19.9 1.0
N1 A:XJI1401 3.8 20.0 1.0
NE A:ARG1298 3.9 17.9 1.0
NE2 A:HIS1140 4.0 23.9 1.0
C8 A:XJI1401 4.1 22.6 1.0
CB A:HIS1140 4.1 20.1 1.0
C2 A:XJI1401 4.3 19.6 1.0
CZ A:TYR1181 4.3 20.9 1.0
N2 A:XJI1401 4.4 19.0 1.0
N A:XJI1401 4.5 18.9 1.0
ND1 A:HIS1140 4.6 24.2 1.0
OH A:TYR1181 4.6 20.4 1.0
CE1 A:HIS1140 4.7 22.7 1.0
NH2 A:ARG1298 4.8 20.0 1.0
CD A:ARG1298 5.0 17.6 1.0

Fluorine binding site 3 out of 4 in 8f8e

Go back to Fluorine Binding Sites List in 8f8e
Fluorine binding site 3 out of 4 in the Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-8268 Compound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-8268 Compound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1401

b:21.8
occ:1.00
 F1 B:XJI1401 0.0 21.8 1.0
C14 B:XJI1401 1.4 19.1 1.0
C15 B:XJI1401 2.4 18.2 1.0
C13 B:XJI1401 2.4 18.8 1.0
CL1 B:XJI1401 2.9 21.5 1.0
CB B:ALA1311 3.1 17.8 1.0
N B:ALA1311 3.3 17.3 1.0
C B:GLY1310 3.4 18.4 1.0
C16 B:XJI1401 3.6 17.8 1.0
C12 B:XJI1401 3.6 17.9 1.0
CA B:ALA1311 3.7 16.9 1.0
CD1 B:LEU1357 3.8 21.3 1.0
O B:GLY1310 3.8 20.3 1.0
CA B:GLY1310 3.9 17.2 1.0
N B:GLY1310 4.0 18.9 1.0
CB B:PHE1334 4.0 21.5 1.0
C B:TYR1309 4.1 18.8 1.0
C11 B:XJI1401 4.1 17.9 1.0
CB B:TYR1309 4.2 18.4 1.0
O B:ARG1298 4.3 16.6 1.0
O B:TYR1309 4.3 20.2 1.0
CD2 B:LEU1357 4.4 22.4 1.0
CB B:LEU1357 4.4 20.3 1.0
CG B:LEU1357 4.4 22.0 1.0
CA B:TYR1309 4.8 18.2 1.0
CG B:PHE1334 4.9 22.3 1.0
CA B:PHE1334 5.0 21.6 1.0
C B:ALA1311 5.0 17.0 1.0

Fluorine binding site 4 out of 4 in 8f8e

Go back to Fluorine Binding Sites List in 8f8e
Fluorine binding site 4 out of 4 in the Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-8268 Compound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-8268 Compound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1401

b:20.7
occ:1.00
 F B:XJI1401 0.0 20.7 1.0
C5 B:XJI1401 1.4 19.4 1.0
C6 B:XJI1401 2.4 22.3 1.0
C4 B:XJI1401 2.4 18.6 1.0
C3 B:XJI1401 2.8 17.1 1.0
O B:XJI1401 3.1 17.8 1.0
C1 B:XJI1401 3.2 16.1 1.0
CE1 B:TYR1181 3.2 22.1 1.0
C B:XJI1401 3.4 17.5 1.0
CD2 B:HIS1140 3.4 22.9 1.0
NH2 B:ARG1298 3.4 21.0 1.0
C7 B:XJI1401 3.6 22.2 1.0
C9 B:XJI1401 3.6 19.2 1.0
CD1 B:TYR1181 3.6 21.7 1.0
CG B:HIS1140 3.8 20.8 1.0
N1 B:XJI1401 3.8 17.5 1.0
NE B:ARG1298 3.9 19.2 1.0
CZ B:ARG1298 3.9 20.5 1.0
CB B:HIS1140 4.0 20.1 1.0
NE2 B:HIS1140 4.1 22.6 1.0
C8 B:XJI1401 4.1 21.5 1.0
CZ B:TYR1181 4.3 21.2 1.0
C2 B:XJI1401 4.3 16.5 1.0
N2 B:XJI1401 4.4 17.2 1.0
O B:HOH1587 4.5 35.4 1.0
N B:XJI1401 4.6 16.9 1.0
ND1 B:HIS1140 4.6 24.8 1.0
OH B:TYR1181 4.6 20.8 1.0
CE1 B:HIS1140 4.7 24.7 1.0
NH1 B:ARG1298 4.8 22.4 1.0
CG B:TYR1181 4.9 21.1 1.0
CD B:ARG1298 4.9 18.7 1.0

Reference:

S.Kimani, A.Li, A.Dong, Y.Li, A.Hutchinson, A.Seitova, B.Wilson, R.Al-Awar, M.Vedadi, P.Brown, C.H.Arrowsmith, A.M.Edwards, L.Halabelian. Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-8268 Compound To Be Published.
Page generated: Fri Aug 2 18:35:42 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy