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Chlorine 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:

Fluorine (F) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-8268 Compound, PDB code: 8f8e:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 8f8e

Go back to Chlorine Binding Sites List in 8f8e
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1401

b:24.9
occ:1.00
 CL1 A:XJI1401 0.0 24.9 1.0
C13 A:XJI1401 1.7 22.5 1.0
C12 A:XJI1401 2.7 20.3 1.0
C14 A:XJI1401 2.7 21.6 1.0
F1 A:XJI1401 3.0 25.1 1.0
CG2 A:ILE1354 3.5 20.4 1.0
CB A:ALA1311 3.5 20.3 1.0
CG A:LEU1357 3.7 24.6 1.0
CD2 A:LEU1357 3.8 24.7 1.0
CD2 A:PHE1330 3.8 19.4 1.0
CE2 A:PHE1330 3.8 19.5 1.0
N A:LEU1357 4.0 18.6 1.0
C11 A:XJI1401 4.0 20.1 1.0
C15 A:XJI1401 4.0 22.3 1.0
C A:ASP1356 4.0 17.9 1.0
CG A:PHE1330 4.2 19.2 1.0
CA A:ASP1356 4.2 18.1 1.0
CZ A:PHE1330 4.2 20.2 1.0
CB A:LEU1357 4.3 23.5 1.0
C16 A:XJI1401 4.5 19.8 1.0
O A:ASP1356 4.5 18.6 1.0
CD1 A:PHE1330 4.5 19.0 1.0
N A:ASP1356 4.6 17.7 1.0
CE1 A:PHE1330 4.6 21.2 1.0
CB A:ILE1354 4.7 20.4 1.0
CA A:LEU1357 4.8 20.3 1.0
CB A:PHE1330 4.9 19.3 1.0
CA A:ALA1311 4.9 20.3 1.0
CD1 A:LEU1357 5.0 24.7 1.0

Chlorine binding site 2 out of 4 in 8f8e

Go back to Chlorine Binding Sites List in 8f8e
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1401

b:31.2
occ:1.00
 CL A:XJI1401 0.0 31.2 1.0
C7 A:XJI1401 1.7 21.9 1.0
C8 A:XJI1401 2.7 22.6 1.0
C6 A:XJI1401 2.7 20.2 1.0
O A:ARG1225 3.1 20.0 1.0
SG A:CYS1227 3.2 22.1 1.0
CB A:ARG1225 3.6 23.9 1.0
C5 A:XJI1401 4.0 19.6 1.0
C9 A:XJI1401 4.0 21.2 1.0
C A:ARG1225 4.0 18.9 1.0
CD A:ARG1298 4.1 17.6 1.0
O A:HOH1559 4.2 24.5 1.0
CA A:ARG1225 4.2 20.9 1.0
NE A:ARG1225 4.3 33.4 1.0
NH2 A:ARG1225 4.4 41.2 1.0
NE A:ARG1298 4.5 17.9 1.0
NH2 A:ARG1298 4.5 20.0 1.0
C4 A:XJI1401 4.5 19.6 1.0
CZ A:ARG1225 4.5 35.2 1.0
CZ A:ARG1298 4.6 19.9 1.0
CG A:ARG1225 4.7 26.7 1.0
CB A:CYS1227 4.7 17.6 1.0
CG A:ARG1298 4.9 17.5 1.0

Chlorine binding site 3 out of 4 in 8f8e

Go back to Chlorine Binding Sites List in 8f8e
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1401

b:21.5
occ:1.00
 CL1 B:XJI1401 0.0 21.5 1.0
C13 B:XJI1401 1.7 18.8 1.0
C12 B:XJI1401 2.7 17.9 1.0
C14 B:XJI1401 2.7 19.1 1.0
F1 B:XJI1401 2.9 21.8 1.0
CB B:ALA1311 3.5 17.8 1.0
CB B:LEU1357 3.5 20.3 1.0
CG2 B:ILE1354 3.6 16.9 1.0
CE2 B:PHE1330 3.8 16.9 1.0
CD2 B:PHE1330 3.9 16.2 1.0
C15 B:XJI1401 4.0 18.2 1.0
C11 B:XJI1401 4.0 17.9 1.0
N B:LEU1357 4.0 14.6 1.0
C B:ASP1356 4.1 14.4 1.0
CD1 B:LEU1357 4.2 21.3 1.0
CG B:PHE1330 4.2 16.2 1.0
CZ B:PHE1330 4.2 16.6 1.0
CA B:ASP1356 4.4 13.7 1.0
CG B:LEU1357 4.5 22.0 1.0
C16 B:XJI1401 4.5 17.8 1.0
CA B:LEU1357 4.5 16.7 1.0
CD1 B:PHE1330 4.6 17.2 1.0
O B:ASP1356 4.6 15.5 1.0
CE1 B:PHE1330 4.6 16.9 1.0
CB B:ILE1354 4.7 16.9 1.0
N B:ASP1356 4.7 13.9 1.0
CA B:ALA1311 4.9 16.9 1.0
CB B:PHE1330 5.0 17.0 1.0

Chlorine binding site 4 out of 4 in 8f8e

Go back to Chlorine Binding Sites List in 8f8e
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1401

b:34.0
occ:1.00
 CL B:XJI1401 0.0 34.0 1.0
C7 B:XJI1401 1.7 22.2 1.0
C8 B:XJI1401 2.7 21.5 1.0
C6 B:XJI1401 2.7 22.3 1.0
NH1 B:ARG1225 3.2 29.3 0.5
SG B:CYS1227 3.2 23.3 1.0
O B:ARG1225 3.3 19.7 1.0
CZ B:ARG1225 3.4 27.0 0.5
NE B:ARG1225 3.7 26.7 0.5
CB B:ARG1225 3.9 20.7 0.5
CB B:ARG1225 3.9 18.6 0.5
C5 B:XJI1401 4.0 19.4 1.0
C9 B:XJI1401 4.0 19.2 1.0
NH2 B:ARG1225 4.0 26.1 0.5
CD B:ARG1298 4.1 18.7 1.0
C B:ARG1225 4.1 18.9 1.0
CA B:ARG1225 4.3 19.2 0.5
CA B:ARG1225 4.3 20.2 0.5
NE B:ARG1225 4.4 21.1 0.5
NE B:ARG1298 4.5 19.2 1.0
C4 B:XJI1401 4.5 18.6 1.0
CG B:ARG1225 4.6 23.3 0.5
O B:HOH1521 4.6 27.3 1.0
NH2 B:ARG1225 4.6 23.3 0.5
CD B:ARG1225 4.6 24.6 0.5
NH1 B:ARG1298 4.7 22.4 1.0
CB B:CYS1227 4.8 18.9 1.0
CZ B:ARG1298 4.8 20.5 1.0
CZ B:ARG1225 4.8 21.9 0.5
CG B:ARG1298 4.8 17.5 1.0
O B:ASN1226 4.9 17.8 1.0
CG B:ARG1225 4.9 19.5 0.5

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: Tue Jul 30 09:22:36 2024

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