Fluorine in PDB 7ufv: Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-6766

All present enzymatic activity of Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-6766:
2.7.11.1;

The structure of Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-6766, PDB code: 7ufv was solved by S.Kimani, A.Li, Y.Li, A.Dong, 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)	43.98 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.14, 87.875, 73.807, 90, 98.54, 90
R / Rfree (%)	20.4 / 25.4

The structure of Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-6766 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Fluorine atom in the Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-6766 (pdb code 7ufv). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-6766, PDB code: 7ufv:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-6766


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-6766 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1401 b:42.8 occ:1.00 F A:N6O1401 0.0 42.8 1.0 C18 A:N6O1401 1.3 38.0 1.0 C17 A:N6O1401 2.3 37.2 1.0 C13 A:N6O1401 2.4 37.2 1.0 C12 A:N6O1401 2.8 33.8 1.0 O A:N6O1401 3.1 34.4 1.0 C10 A:N6O1401 3.3 32.9 1.0 NH1 A:ARG1298 3.3 43.4 1.0 CE1 A:TYR1181 3.3 39.8 1.0 C9 A:N6O1401 3.3 35.2 1.0 CD2 A:HIS1140 3.6 46.3 1.0 C16 A:N6O1401 3.6 38.1 1.0 C14 A:N6O1401 3.6 39.1 1.0 CD1 A:TYR1181 3.6 41.0 1.0 CZ A:ARG1298 3.8 43.2 1.0 NE A:ARG1298 3.8 40.6 1.0 N3 A:N6O1401 3.8 33.2 1.0 CG A:HIS1140 3.8 45.0 1.0 CB A:HIS1140 4.1 42.6 1.0 C15 A:N6O1401 4.1 40.7 1.0 NE2 A:HIS1140 4.3 43.5 1.0 N1 A:N6O1401 4.4 34.6 1.0 C11 A:N6O1401 4.4 33.9 1.0 CZ A:TYR1181 4.5 39.7 1.0 N2 A:N6O1401 4.6 34.8 1.0 ND1 A:HIS1140 4.6 42.7 1.0 NH2 A:ARG1298 4.8 44.7 1.0 CD A:ARG1298 4.9 41.7 1.0 CE1 A:HIS1140 4.9 41.5 1.0 OH A:TYR1181 4.9 40.5 1.0 CG A:TYR1181 4.9 39.3 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-6766


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-6766 within 5.0Å range: probe atom residue distance (Å) B Occ B:F1401 b:43.8 occ:1.00 F B:N6O1401 0.0 43.8 1.0 C18 B:N6O1401 1.4 43.6 1.0 C17 B:N6O1401 2.3 44.9 1.0 C13 B:N6O1401 2.4 44.8 1.0 C12 B:N6O1401 2.8 44.0 1.0 O B:N6O1401 3.1 44.7 1.0 C10 B:N6O1401 3.2 44.4 1.0 C9 B:N6O1401 3.3 44.1 1.0 CE2 B:TYR1181 3.4 36.8 1.0 NH2 B:ARG1298 3.5 43.2 1.0 C16 B:N6O1401 3.6 46.5 1.0 C14 B:N6O1401 3.6 44.2 1.0 CD2 B:HIS1140 3.8 49.2 1.0 CD2 B:TYR1181 3.8 34.1 1.0 N3 B:N6O1401 3.8 46.1 1.0 NE B:ARG1298 3.9 43.4 1.0 CZ B:ARG1298 3.9 46.0 1.0 CG B:HIS1140 4.0 43.9 1.0 C15 B:N6O1401 4.1 46.1 1.0 CB B:HIS1140 4.2 42.3 1.0 N1 B:N6O1401 4.3 48.9 1.0 C11 B:N6O1401 4.3 42.6 1.0 NE2 B:HIS1140 4.4 47.2 1.0 CZ B:TYR1181 4.5 38.4 1.0 N2 B:N6O1401 4.5 43.3 1.0 ND1 B:HIS1140 4.7 44.7 1.0 OH B:TYR1181 4.8 41.1 1.0 NH1 B:ARG1298 4.9 47.5 1.0 CD B:ARG1298 4.9 40.5 1.0 CE1 B:HIS1140 5.0 46.0 1.0

S.Kimani, A.Li, Y.Li, A.Dong, A.Hutchinson, A.Seitova, B.Wilson, R.Al-Awar, M.Vedadi, P.Brown, C.H.Arrowsmith, A.M.Edwards, L.Halabelian, Structural Genomics Consortium (Sgc). Crystal Structure of the Wdr Domain of Human DCAF1 in Complex with Oicr-6766 To Be Published.