Fluorine in PDB 4okx: 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: 4okx 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)	27.18 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.861, 66.674, 70.291, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 24.8

The binding sites of Fluorine atom in the Crystal Structure of W741L-Ar-Lbd Bound with Co-Regulator Peptide (pdb code 4okx). 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: 4okx:
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:F1002 b:38.6 occ:1.00 F18 A:1981002 0.0 38.6 1.0 C18 A:1981002 1.4 34.9 1.0 C19 A:1981002 2.3 30.1 1.0 C17 A:1981002 2.5 28.2 1.0 O A:HOH1101 2.9 20.3 1.0 NE2 A:HIS874 3.5 32.4 1.0 C20 A:1981002 3.6 31.0 1.0 CG2 A:VAL903 3.7 26.7 1.0 C16 A:1981002 3.7 30.1 1.0 O A:GLN738 3.9 23.5 1.0 CD2 A:HIS874 3.9 31.0 1.0 CG2 A:ILE898 4.0 30.2 1.0 C15 A:1981002 4.2 28.6 1.0 CD2 A:LEU741 4.4 23.6 1.0 CB A:LEU741 4.5 19.5 1.0 N A:MET742 4.6 21.9 1.0 CE1 A:HIS874 4.7 38.2 1.0 CB A:MET742 4.8 24.4 1.0 CE A:MET742 4.8 27.5 1.0 CG A:LEU741 4.9 19.2 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:F1002 b:28.4 occ:1.00 F7B A:1981002 0.0 28.4 1.0 C7 A:1981002 1.3 28.2 1.0 F7C A:1981002 2.0 31.4 1.0 F7A A:1981002 2.1 27.7 1.0 C3 A:1981002 2.3 23.0 1.0 C2 A:1981002 3.2 21.2 1.0 CG2 A:VAL746 3.2 20.0 1.0 N A:VAL746 3.3 18.8 1.0 C4 A:1981002 3.3 21.5 1.0 CB A:MET745 3.4 20.1 1.0 C A:MET745 3.4 21.5 1.0 CA A:VAL746 3.6 18.6 1.0 C8 A:1981002 3.6 26.5 1.0 O A:MET742 3.7 20.7 1.0 O A:MET745 3.8 17.6 1.0 CE A:MET745 4.0 26.5 1.0 CB A:VAL746 4.0 22.0 1.0 CA A:MET745 4.0 21.6 1.0 SD A:MET742 4.1 24.5 1.0 N8 A:1981002 4.2 25.0 1.0 C1 A:1981002 4.4 23.8 1.0 CD1 A:LEU873 4.5 26.3 1.0 C5 A:1981002 4.5 22.1 1.0 CG A:MET745 4.7 22.9 1.0 SD A:MET745 4.8 25.5 1.0 C A:MET742 4.8 20.6 1.0 SD A:MET787 4.9 32.6 1.0 N A:MET745 4.9 18.5 1.0 C A:VAL746 4.9 21.9 1.0 CG A:MET742 4.9 24.0 1.0 C6 A:1981002 5.0 19.4 1.0 O10 A:1981002 5.0 27.9 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:F1002 b:31.4 occ:1.00 F7C A:1981002 0.0 31.4 1.0 C7 A:1981002 1.3 28.2 1.0 F7B A:1981002 2.0 28.4 1.0 F7A A:1981002 2.1 27.7 1.0 C3 A:1981002 2.3 23.0 1.0 C8 A:1981002 2.7 26.5 1.0 C4 A:1981002 2.9 21.5 1.0 N8 A:1981002 3.0 25.0 1.0 CE1 A:PHE764 3.6 25.9 1.0 O A:MET745 3.6 17.6 1.0 C2 A:1981002 3.6 21.2 1.0 CB A:MET749 3.7 29.4 1.0 CD1 A:PHE764 3.7 24.0 1.0 CE A:MET749 3.8 34.1 1.0 C A:MET745 3.9 21.5 1.0 CG A:MET749 3.9 32.4 1.0 CA A:VAL746 3.9 18.6 1.0 N A:VAL746 4.0 18.8 1.0 C5 A:1981002 4.2 22.1 1.0 CG2 A:VAL746 4.3 20.0 1.0 SD A:MET787 4.3 32.6 1.0 CB A:MET745 4.4 20.1 1.0 SD A:MET749 4.7 34.1 1.0 CZ A:PHE764 4.7 28.1 1.0 C1 A:1981002 4.8 23.8 1.0 CB A:VAL746 4.8 22.0 1.0 CA A:MET745 4.8 21.6 1.0 C A:VAL746 4.9 21.9 1.0 O A:VAL746 5.0 23.9 1.0 C6 A:1981002 5.0 19.4 1.0 CG A:PHE764 5.0 24.8 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:F1002 b:27.7 occ:1.00 F7A A:1981002 0.0 27.7 1.0 C7 A:1981002 1.3 28.2 1.0 F7C A:1981002 2.1 31.4 1.0 F7B A:1981002 2.1 28.4 1.0 C3 A:1981002 2.3 23.0 1.0 C2 A:1981002 2.8 21.2 1.0 CE1 A:PHE764 3.6 25.9 1.0 C4 A:1981002 3.6 21.5 1.0 CD1 A:LEU873 3.7 26.3 1.0 SD A:MET787 3.7 32.6 1.0 CG2 A:VAL746 4.0 20.0 1.0 C1 A:1981002 4.1 23.8 1.0 CE A:MET787 4.1 34.2 1.0 C8 A:1981002 4.2 26.5 1.0 CD1 A:PHE764 4.3 24.0 1.0 O10 A:1981002 4.5 27.9 1.0 CZ A:PHE764 4.5 28.1 1.0 C5 A:1981002 4.7 22.1 1.0 SD A:MET742 4.7 24.5 1.0 CE A:MET749 4.7 34.1 1.0 N8 A:1981002 4.8 25.0 1.0 C6 A:1981002 4.9 19.4 1.0 CA A:VAL746 4.9 18.6 1.0 CG A:LEU873 4.9 25.3 1.0 CD2 A:LEU873 4.9 25.1 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