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

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