Fluorine in PDB 4okb: 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: 4okb 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)	28.66 / 2.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.243, 66.554, 69.988, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 26

The binding sites of Fluorine atom in the Crystal Structure of W741L-Ar-Lbd Bound with Co-Regulator Peptide (pdb code 4okb). 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: 4okb:
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:58.6 occ:1.00 F18 A:1981002 0.0 58.6 1.0 C18 A:1981002 1.4 49.7 1.0 C19 A:1981002 2.4 48.1 1.0 C17 A:1981002 2.4 47.1 1.0 NE2 A:HIS874 3.2 41.6 1.0 O A:GLN738 3.6 44.4 1.0 C20 A:1981002 3.6 49.8 1.0 C16 A:1981002 3.7 45.1 1.0 CD2 A:HIS874 3.9 37.5 1.0 CG2 A:VAL903 3.9 29.2 1.0 CG2 A:ILE898 4.1 36.5 1.0 CB A:LEU741 4.2 34.7 1.0 C15 A:1981002 4.2 47.6 1.0 CD2 A:LEU741 4.3 36.0 1.0 CE1 A:HIS874 4.4 39.9 1.0 N A:MET742 4.5 32.5 1.0 CG A:LEU741 4.6 35.6 1.0 CE A:MET742 4.7 34.0 1.0 C A:GLN738 4.8 35.8 1.0 CB A:MET742 4.8 31.3 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:36.8 occ:1.00 F7B A:1981002 0.0 36.8 1.0 C7 A:1981002 1.3 38.3 1.0 F7A A:1981002 2.2 40.1 1.0 F7C A:1981002 2.2 35.5 1.0 C3 A:1981002 2.3 38.7 1.0 C2 A:1981002 2.6 39.9 1.0 CD1 A:LEU873 3.5 38.2 1.0 C4 A:1981002 3.7 39.5 1.0 CG2 A:VAL746 3.8 29.7 1.0 C1 A:1981002 4.0 41.7 1.0 SD A:MET742 4.1 31.7 1.0 SD A:MET787 4.1 48.6 1.0 O10 A:1981002 4.2 43.2 1.0 C8 A:1981002 4.2 42.2 1.0 CE2 A:PHE764 4.4 40.1 1.0 CD2 A:LEU873 4.6 34.3 1.0 CG A:LEU873 4.6 36.7 1.0 CA A:VAL746 4.6 29.5 1.0 N A:VAL746 4.7 29.8 1.0 C5 A:1981002 4.7 39.2 1.0 CB A:VAL746 4.8 29.7 1.0 C6 A:1981002 4.8 39.9 1.0 CB A:MET745 4.8 28.0 1.0 N9 A:1981002 4.9 43.6 1.0 C10 A:1981002 4.9 42.9 1.0 N8 A:1981002 4.9 43.3 1.0 CE A:MET745 4.9 29.9 1.0 CE A:MET787 5.0 46.1 1.0 C A:MET745 5.0 29.1 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:35.5 occ:1.00 F7C A:1981002 0.0 35.5 1.0 C7 A:1981002 1.3 38.3 1.0 F7A A:1981002 2.1 40.1 1.0 F7B A:1981002 2.2 36.8 1.0 C3 A:1981002 2.3 38.7 1.0 C A:MET745 2.9 29.1 1.0 N A:VAL746 2.9 29.8 1.0 CB A:MET745 2.9 28.0 1.0 C4 A:1981002 3.1 39.5 1.0 C8 A:1981002 3.2 42.2 1.0 O A:MET745 3.2 25.4 1.0 CA A:VAL746 3.2 29.5 1.0 C2 A:1981002 3.3 39.9 1.0 CG2 A:VAL746 3.4 29.7 1.0 CA A:MET745 3.5 28.2 1.0 N8 A:1981002 3.6 43.3 1.0 O A:MET742 3.8 29.4 1.0 CB A:VAL746 3.9 29.7 1.0 CE A:MET745 4.3 29.9 1.0 CG A:MET745 4.3 28.6 1.0 C5 A:1981002 4.3 39.2 1.0 C A:VAL746 4.5 29.1 1.0 C1 A:1981002 4.5 41.7 1.0 N A:MET745 4.5 26.0 1.0 CB A:MET749 4.6 35.6 1.0 SD A:MET742 4.7 31.7 1.0 SD A:MET745 4.7 28.5 1.0 C6 A:1981002 4.9 39.9 1.0 C A:MET742 4.9 29.1 1.0 O A:VAL746 5.0 29.6 1.0 CD1 A:LEU873 5.0 38.2 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:40.1 occ:1.00 F7A A:1981002 0.0 40.1 1.0 C7 A:1981002 1.3 38.3 1.0 F7C A:1981002 2.1 35.5 1.0 F7B A:1981002 2.2 36.8 1.0 C3 A:1981002 2.4 38.7 1.0 C8 A:1981002 3.0 42.2 1.0 C4 A:1981002 3.0 39.5 1.0 N8 A:1981002 3.3 43.3 1.0 CE A:MET749 3.5 44.1 1.0 C2 A:1981002 3.5 39.9 1.0 CE2 A:PHE764 3.6 40.1 1.0 CB A:MET749 3.7 35.6 1.0 CG A:MET749 3.8 38.8 1.0 CD2 A:PHE764 3.8 39.5 1.0 SD A:MET787 4.0 48.6 1.0 O A:MET745 4.0 25.4 1.0 CA A:VAL746 4.1 29.5 1.0 C A:MET745 4.3 29.1 1.0 N A:VAL746 4.3 29.8 1.0 C5 A:1981002 4.4 39.2 1.0 SD A:MET749 4.4 42.7 1.0 CG2 A:VAL746 4.4 29.7 1.0 CZ A:PHE764 4.6 42.9 1.0 C1 A:1981002 4.7 41.7 1.0 CB A:VAL746 4.8 29.7 1.0 CB A:MET745 4.9 28.0 1.0 CG A:PHE764 5.0 40.2 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