Fluorine in PDB 4oha: Crystal Structure of T877A-Ar-Lbd Bound with Co-Regulator Peptide

The structure of Crystal Structure of T877A-Ar-Lbd Bound with Co-Regulator Peptide, PDB code: 4oha 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)	47.67 / 1.42
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.189, 66.506, 68.355, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 20

The binding sites of Fluorine atom in the Crystal Structure of T877A-Ar-Lbd Bound with Co-Regulator Peptide (pdb code 4oha). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of T877A-Ar-Lbd Bound with Co-Regulator Peptide, PDB code: 4oha:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of T877A-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 T877A-Ar-Lbd Bound with Co-Regulator Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:16.8 occ:1.00 F1 A:HFT1001 0.0 16.8 1.0 C7 A:HFT1001 1.3 16.1 1.0 F3 A:HFT1001 2.1 16.4 1.0 F2 A:HFT1001 2.1 17.0 1.0 C3 A:HFT1001 2.3 14.2 1.0 C2 A:HFT1001 2.7 12.8 1.0 CD1 A:LEU873 3.4 12.4 1.0 C4 A:HFT1001 3.6 14.5 1.0 SD A:MET787 3.7 14.3 1.0 CE A:MET787 3.9 13.0 1.0 CG2 A:VAL746 4.0 11.1 1.0 CE1 A:PHE764 4.0 11.9 1.0 C1 A:HFT1001 4.1 12.7 1.0 CD2 A:LEU873 4.2 13.3 1.0 O1 A:HFT1001 4.2 28.1 1.0 N1 A:HFT1001 4.2 18.0 1.0 SD A:MET742 4.3 12.5 1.0 O10 A:HFT1001 4.3 16.6 1.0 CG A:LEU873 4.4 11.7 1.0 CA A:VAL746 4.7 9.3 1.0 C5 A:HFT1001 4.8 14.1 1.0 CD1 A:PHE764 4.8 11.0 1.0 N A:VAL746 4.8 9.2 1.0 CE A:MET749 4.9 14.2 1.0 C6 A:HFT1001 4.9 12.3 1.0 CB A:VAL746 4.9 10.5 1.0 CZ A:PHE764 5.0 12.2 1.0 N9 A:HFT1001 5.0 13.1 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of T877A-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 T877A-Ar-Lbd Bound with Co-Regulator Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:17.0 occ:1.00 F2 A:HFT1001 0.0 17.0 1.0 C7 A:HFT1001 1.3 16.1 1.0 F3 A:HFT1001 2.1 16.4 1.0 F1 A:HFT1001 2.1 16.8 1.0 C3 A:HFT1001 2.3 14.2 1.0 O1 A:HFT1001 2.8 28.1 1.0 N A:VAL746 3.0 9.2 1.0 C4 A:HFT1001 3.1 14.5 1.0 CB A:MET745 3.2 13.3 1.0 C A:MET745 3.2 9.6 1.0 C2 A:HFT1001 3.3 12.8 1.0 N1 A:HFT1001 3.3 18.0 1.0 CA A:VAL746 3.4 9.3 1.0 CG2 A:VAL746 3.5 11.1 1.0 O A:MET745 3.6 11.4 1.0 CA A:MET745 3.8 11.1 1.0 O A:MET742 3.9 8.7 1.0 CE A:MET745 4.0 20.0 1.0 CB A:VAL746 4.0 10.5 1.0 SD A:MET742 4.2 12.5 1.0 C5 A:HFT1001 4.4 14.1 1.0 CG A:MET745 4.4 18.2 1.0 C1 A:HFT1001 4.5 12.7 1.0 CD1 A:LEU873 4.6 12.4 1.0 SD A:MET745 4.6 20.1 1.0 O2 A:HFT1001 4.6 23.6 1.0 C A:VAL746 4.7 9.1 1.0 SD A:MET787 4.8 14.3 1.0 N A:MET745 4.8 9.4 1.0 C6 A:HFT1001 4.9 12.3 1.0 CB A:MET749 4.9 9.7 1.0 C A:MET742 5.0 8.7 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of T877A-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 T877A-Ar-Lbd Bound with Co-Regulator Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:16.4 occ:1.00 F3 A:HFT1001 0.0 16.4 1.0 C7 A:HFT1001 1.3 16.1 1.0 F1 A:HFT1001 2.1 16.8 1.0 F2 A:HFT1001 2.1 17.0 1.0 C3 A:HFT1001 2.3 14.2 1.0 O1 A:HFT1001 2.7 28.1 1.0 N1 A:HFT1001 2.8 18.0 1.0 C4 A:HFT1001 2.9 14.5 1.0 CE1 A:PHE764 3.4 11.9 1.0 CE A:MET749 3.5 14.2 1.0 C2 A:HFT1001 3.5 12.8 1.0 CB A:MET749 3.7 9.7 1.0 CD1 A:PHE764 3.7 11.0 1.0 CG A:MET749 3.8 10.6 1.0 O2 A:HFT1001 3.8 23.6 1.0 SD A:MET787 3.9 14.3 1.0 O A:MET745 4.0 11.4 1.0 CA A:VAL746 4.1 9.3 1.0 C5 A:HFT1001 4.3 14.1 1.0 C A:MET745 4.3 9.6 1.0 N A:VAL746 4.3 9.2 1.0 CE A:MET787 4.4 13.0 1.0 SD A:MET749 4.5 12.4 1.0 CZ A:PHE764 4.5 12.2 1.0 CG2 A:VAL746 4.6 11.1 1.0 C1 A:HFT1001 4.7 12.7 1.0 CB A:MET745 4.8 13.3 1.0 CB A:VAL746 4.9 10.5 1.0 C6 A:HFT1001 4.9 12.3 1.0 CG A:PHE764 4.9 10.7 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