Fluorine in PDB 4ojb: Crystal Structure of W741L-Ar-Lbd

The structure of Crystal Structure of W741L-Ar-Lbd, PDB code: 4ojb 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)	48.32 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.796, 66.397, 70.467, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 24.7

The binding sites of Fluorine atom in the Crystal Structure of W741L-Ar-Lbd (pdb code 4ojb). 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, PDB code: 4ojb:
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


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:50.2 occ:1.00 F18 A:1981001 0.0 50.2 1.0 C18 A:1981001 1.4 35.0 1.0 C19 A:1981001 2.3 37.0 1.0 C17 A:1981001 2.4 33.2 1.0 O A:HOH1101 2.8 21.4 1.0 C20 A:1981001 3.6 36.5 1.0 NE2 A:HIS874 3.6 26.3 1.0 C16 A:1981001 3.7 38.1 1.0 CG2 A:VAL903 3.9 29.4 1.0 CG2 A:ILE898 4.0 27.8 1.0 O A:GLN738 4.0 24.7 1.0 CD2 A:HIS874 4.0 26.6 1.0 C15 A:1981001 4.1 34.8 1.0 CD2 A:LEU741 4.3 21.2 1.0 CB A:LEU741 4.4 18.9 1.0 N A:MET742 4.4 19.8 1.0 CB A:MET742 4.5 22.6 1.0 CE A:MET742 4.6 27.1 1.0 CG A:LEU741 4.7 20.2 1.0 CE1 A:HIS874 4.9 27.7 1.0 CA A:MET742 4.9 21.2 1.0

Fluorine binding site 2 out of 4 in the Crystal Structure of W741L-Ar-Lbd


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:27.3 occ:1.00 F7B A:1981001 0.0 27.3 1.0 C7 A:1981001 1.3 26.9 1.0 F7C A:1981001 2.0 30.8 1.0 F7A A:1981001 2.1 27.2 1.0 C3 A:1981001 2.3 25.9 1.0 C2 A:1981001 3.1 23.3 1.0 CG2 A:VAL746 3.3 22.0 1.0 C4 A:1981001 3.3 22.2 1.0 CB A:MET745 3.4 21.1 1.0 N A:VAL746 3.4 19.7 1.0 C A:MET745 3.6 22.2 1.0 C8 A:1981001 3.6 28.1 1.0 CA A:VAL746 3.7 21.2 1.0 O A:MET742 3.9 19.4 1.0 O A:MET745 4.0 19.3 1.0 CE A:MET745 4.1 28.8 1.0 SD A:MET742 4.1 25.1 1.0 CA A:MET745 4.1 21.5 1.0 CB A:VAL746 4.1 22.1 1.0 N8 A:1981001 4.2 24.8 1.0 C1 A:1981001 4.4 25.2 1.0 CD1 A:LEU873 4.4 31.0 1.0 C5 A:1981001 4.5 22.4 1.0 CG A:MET745 4.7 24.6 1.0 SD A:MET745 4.8 27.4 1.0 SD A:MET787 4.9 34.1 1.0 C6 A:1981001 4.9 22.8 1.0 O10 A:1981001 4.9 27.5 1.0 C A:MET742 4.9 19.3 1.0 N A:MET745 5.0 20.2 1.0 CG A:MET742 5.0 21.7 1.0

Fluorine binding site 3 out of 4 in the Crystal Structure of W741L-Ar-Lbd


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:30.8 occ:1.00 F7C A:1981001 0.0 30.8 1.0 C7 A:1981001 1.3 26.9 1.0 F7B A:1981001 2.0 27.3 1.0 F7A A:1981001 2.2 27.2 1.0 C3 A:1981001 2.4 25.9 1.0 C8 A:1981001 2.6 28.1 1.0 C4 A:1981001 2.8 22.2 1.0 N8 A:1981001 2.9 24.8 1.0 O A:MET745 3.6 19.3 1.0 C2 A:1981001 3.6 23.3 1.0 CB A:MET749 3.7 23.9 1.0 CE A:MET749 3.7 34.7 1.0 CE1 A:PHE764 3.7 24.9 1.0 CD1 A:PHE764 3.8 22.6 1.0 C A:MET745 3.9 22.2 1.0 CG A:MET749 3.9 29.3 1.0 CA A:VAL746 3.9 21.2 1.0 N A:VAL746 4.1 19.7 1.0 C5 A:1981001 4.1 22.4 1.0 CG2 A:VAL746 4.3 22.0 1.0 SD A:MET787 4.4 34.1 1.0 CB A:MET745 4.4 21.1 1.0 SD A:MET749 4.7 32.8 1.0 C1 A:1981001 4.8 25.2 1.0 CA A:MET745 4.8 21.5 1.0 CB A:VAL746 4.8 22.1 1.0 CZ A:PHE764 4.9 23.7 1.0 C A:VAL746 4.9 21.2 1.0 C6 A:1981001 4.9 22.8 1.0 O A:VAL746 5.0 22.5 1.0

Fluorine binding site 4 out of 4 in the Crystal Structure of W741L-Ar-Lbd


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:27.2 occ:1.00 F7A A:1981001 0.0 27.2 1.0 C7 A:1981001 1.3 26.9 1.0 F7B A:1981001 2.1 27.3 1.0 F7C A:1981001 2.2 30.8 1.0 C3 A:1981001 2.3 25.9 1.0 C2 A:1981001 2.7 23.3 1.0 C4 A:1981001 3.6 22.2 1.0 CE1 A:PHE764 3.7 24.9 1.0 CD1 A:LEU873 3.7 31.0 1.0 SD A:MET787 3.7 34.1 1.0 CG2 A:VAL746 4.1 22.0 1.0 CE A:MET787 4.1 32.8 1.0 C1 A:1981001 4.1 25.2 1.0 C8 A:1981001 4.1 28.1 1.0 CD1 A:PHE764 4.4 22.6 1.0 O10 A:1981001 4.5 27.5 1.0 C5 A:1981001 4.6 22.4 1.0 CZ A:PHE764 4.7 23.7 1.0 CE A:MET749 4.7 34.7 1.0 SD A:MET742 4.7 25.1 1.0 N8 A:1981001 4.8 24.8 1.0 CD2 A:LEU873 4.8 29.1 1.0 CG A:LEU873 4.8 27.5 1.0 C6 A:1981001 4.9 22.8 1.0 CA A:VAL746 4.9 21.2 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