Fluorine in PDB 4okw: Crystal Structure of W741L-Ar-Lbd Bound with Co-Regulator Peptide

The structure of Crystal Structure of W741L-Ar-Lbd Bound with Co-Regulator Peptide, PDB code: 4okw was solved by J.S.Liu, C.L.Hsu, W.G.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.877, 66.411, 70.293, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 22.5

The binding sites of Fluorine atom in the Crystal Structure of W741L-Ar-Lbd Bound with Co-Regulator Peptide (pdb code 4okw). 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 W741L-Ar-Lbd Bound with Co-Regulator Peptide, PDB code: 4okw:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Crystal Structure of W741L-Ar-Lbd Bound with Co-Regulator Peptide


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 W741L-Ar-Lbd Bound with Co-Regulator Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:35.2 occ:1.00 F18 A:1981001 0.0 35.2 1.0 C18 A:1981001 1.4 32.2 1.0 C19 A:1981001 2.3 32.2 1.0 C17 A:1981001 2.5 29.0 1.0 O A:HOH1103 3.1 21.4 1.0 CG2 A:VAL903 3.3 22.1 1.0 CG2 A:ILE898 3.5 23.4 1.0 C20 A:1981001 3.6 31.1 1.0 C16 A:1981001 3.8 29.7 1.0 O A:GLN738 3.8 25.7 1.0 NE2 A:HIS874 3.8 26.3 1.0 CD2 A:HIS874 4.0 23.8 1.0 C15 A:1981001 4.2 29.0 1.0 CD2 A:LEU741 4.6 18.9 1.0 CB A:LEU741 4.7 19.3 1.0 CB A:ILE898 4.8 25.7 1.0 CB A:VAL903 4.9 23.6 1.0 C A:GLN738 5.0 21.0 1.0

Fluorine binding site 2 out of 4 in the Crystal Structure of W741L-Ar-Lbd Bound with Co-Regulator Peptide


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 W741L-Ar-Lbd Bound with Co-Regulator Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:24.4 occ:1.00 F7B A:1981001 0.0 24.4 1.0 C7 A:1981001 1.3 25.6 1.0 F7C A:1981001 2.0 26.3 1.0 F7A A:1981001 2.1 24.1 1.0 C3 A:1981001 2.3 22.8 1.0 C2 A:1981001 3.1 20.1 1.0 CG2 A:VAL746 3.3 22.3 1.0 C4 A:1981001 3.3 21.5 1.0 N A:VAL746 3.3 19.8 1.0 CB A:MET745 3.3 19.3 1.0 C A:MET745 3.5 21.5 1.0 CA A:VAL746 3.6 19.9 1.0 C8 A:1981001 3.6 25.7 1.0 O A:MET742 3.8 17.1 1.0 O A:MET745 3.9 18.0 1.0 CA A:MET745 4.0 19.0 1.0 CB A:VAL746 4.1 21.3 1.0 SD A:MET742 4.1 23.4 1.0 CE A:MET745 4.2 22.3 1.0 N8 A:1981001 4.3 22.7 1.0 C1 A:1981001 4.4 21.0 1.0 CD1 A:LEU873 4.4 26.0 1.0 C5 A:1981001 4.5 18.9 1.0 CG A:MET745 4.6 21.1 1.0 SD A:MET745 4.7 26.7 1.0 SD A:MET787 4.9 29.8 1.0 C A:MET742 4.9 17.8 1.0 N A:MET745 4.9 19.2 1.0 C6 A:1981001 4.9 18.4 1.0 O10 A:1981001 4.9 25.7 1.0 CG A:MET742 5.0 19.3 1.0 C A:VAL746 5.0 19.9 1.0

Fluorine binding site 3 out of 4 in the Crystal Structure of W741L-Ar-Lbd Bound with Co-Regulator Peptide


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 W741L-Ar-Lbd Bound with Co-Regulator Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:26.3 occ:1.00 F7C A:1981001 0.0 26.3 1.0 C7 A:1981001 1.3 25.6 1.0 F7B A:1981001 2.0 24.4 1.0 F7A A:1981001 2.1 24.1 1.0 C3 A:1981001 2.3 22.8 1.0 C8 A:1981001 2.7 25.7 1.0 C4 A:1981001 2.8 21.5 1.0 N8 A:1981001 3.0 22.7 1.0 CE2 A:PHE764 3.6 28.3 1.0 C2 A:1981001 3.6 20.1 1.0 CB A:MET749 3.6 23.2 1.0 O A:MET745 3.6 18.0 1.0 CD2 A:PHE764 3.8 24.6 1.0 CG A:MET749 3.9 25.1 1.0 C A:MET745 3.9 21.5 1.0 CA A:VAL746 3.9 19.9 1.0 CE A:MET749 3.9 34.0 1.0 N A:VAL746 4.0 19.8 1.0 C5 A:1981001 4.2 18.9 1.0 SD A:MET787 4.3 29.8 1.0 CG2 A:VAL746 4.3 22.3 1.0 CB A:MET745 4.4 19.3 1.0 CB A:VAL746 4.7 21.3 1.0 C1 A:1981001 4.8 21.0 1.0 CZ A:PHE764 4.8 26.5 1.0 SD A:MET749 4.8 31.2 1.0 CA A:MET745 4.8 19.0 1.0 CE A:MET787 4.9 24.7 1.0 C A:VAL746 4.9 19.9 1.0 C6 A:1981001 5.0 18.4 1.0

Fluorine binding site 4 out of 4 in the Crystal Structure of W741L-Ar-Lbd Bound with Co-Regulator Peptide


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 W741L-Ar-Lbd Bound with Co-Regulator Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:24.1 occ:1.00 F7A A:1981001 0.0 24.1 1.0 C7 A:1981001 1.3 25.6 1.0 F7C A:1981001 2.1 26.3 1.0 F7B A:1981001 2.1 24.4 1.0 C3 A:1981001 2.3 22.8 1.0 C2 A:1981001 2.8 20.1 1.0 CE2 A:PHE764 3.5 28.3 1.0 C4 A:1981001 3.6 21.5 1.0 SD A:MET787 3.7 29.8 1.0 CD1 A:LEU873 3.7 26.0 1.0 CE A:MET787 3.8 24.7 1.0 CG2 A:VAL746 4.0 22.3 1.0 C8 A:1981001 4.1 25.7 1.0 C1 A:1981001 4.2 21.0 1.0 CD2 A:PHE764 4.3 24.6 1.0 CZ A:PHE764 4.5 26.5 1.0 O10 A:1981001 4.6 25.7 1.0 CE A:MET749 4.7 34.0 1.0 C5 A:1981001 4.7 18.9 1.0 CD2 A:LEU873 4.8 25.8 1.0 SD A:MET742 4.8 23.4 1.0 N8 A:1981001 4.8 22.7 1.0 CA A:VAL746 4.8 19.9 1.0 CG A:LEU873 4.8 22.4 1.0 C6 A:1981001 4.9 18.4 1.0

C.L.Hsu, J.S.Liu, P.L.Wu, H.H.Guan, Y.L.Chen, A.C.Lin, H.J.Ting, S.T.Pang, S.D.Yeh, W.L.Ma, C.J.Chen, W.G.Wu, C.Chang. Identification of A New Androgen Receptor (Ar) Co-Regulator BUD31 and Related Peptides to Suppress Wild-Type and Mutated Ar-Mediated Prostate Cancer Growth Via Peptide Screening and X-Ray Structure Analysis. Mol Oncol 2014.
PubMed: 25091737
DOI: 10.1016/J.MOLONC.2014.06.009