Fluorine in PDB 4oh6: 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: 4oh6 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 / 3.56
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.792, 66.100, 70.225, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 26.1

The binding sites of Fluorine atom in the Crystal Structure of T877A-Ar-Lbd Bound with Co-Regulator Peptide (pdb code 4oh6). 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: 4oh6:
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:51.1 occ:1.00 F1 A:HFT1001 0.0 51.1 1.0 C7 A:HFT1001 1.3 53.3 1.0 F2 A:HFT1001 2.1 53.4 1.0 F3 A:HFT1001 2.2 51.8 1.0 C3 A:HFT1001 2.3 54.4 1.0 C2 A:HFT1001 2.5 53.9 1.0 CD2 A:LEU873 3.2 43.7 1.0 CG2 A:VAL746 3.5 42.5 1.0 CD1 A:LEU873 3.7 44.0 1.0 C4 A:HFT1001 3.8 54.6 1.0 SD A:MET787 3.8 54.4 1.0 C1 A:HFT1001 3.9 53.5 1.0 CG A:LEU873 4.1 44.5 1.0 SD A:MET742 4.3 42.5 1.0 O1 A:HFT1001 4.4 61.2 1.0 CE2 A:PHE764 4.4 43.0 1.0 CA A:VAL746 4.5 41.1 1.0 N1 A:HFT1001 4.5 57.5 1.0 CB A:VAL746 4.5 40.8 1.0 CE A:MET787 4.6 50.5 1.0 N A:VAL746 4.7 43.8 1.0 N9 A:HFT1001 4.7 51.0 1.0 C5 A:HFT1001 4.8 53.3 1.0 C6 A:HFT1001 4.9 53.5 1.0 CB A:LEU873 4.9 46.0 1.0 O10 A:HFT1001 4.9 50.7 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:53.4 occ:1.00 F2 A:HFT1001 0.0 53.4 1.0 C7 A:HFT1001 1.3 53.3 1.0 F1 A:HFT1001 2.1 51.1 1.0 F3 A:HFT1001 2.1 51.8 1.0 C3 A:HFT1001 2.3 54.4 1.0 O1 A:HFT1001 2.9 61.2 1.0 N A:VAL746 2.9 43.8 1.0 C A:MET745 3.1 44.9 1.0 C4 A:HFT1001 3.2 54.6 1.0 CB A:MET745 3.2 45.6 1.0 CG2 A:VAL746 3.2 42.5 1.0 CA A:VAL746 3.3 41.1 1.0 C2 A:HFT1001 3.3 53.9 1.0 N1 A:HFT1001 3.4 57.5 1.0 O A:MET745 3.5 44.5 1.0 CA A:MET745 3.8 44.4 1.0 CB A:VAL746 3.9 40.8 1.0 O A:MET742 4.1 42.8 1.0 CE A:MET745 4.2 49.4 1.0 SD A:MET742 4.3 42.5 1.0 C5 A:HFT1001 4.4 53.3 1.0 CG A:MET745 4.5 48.9 1.0 C1 A:HFT1001 4.5 53.5 1.0 C A:VAL746 4.6 39.7 1.0 CB A:MET749 4.6 43.9 1.0 N A:MET745 4.7 43.5 1.0 SD A:MET745 4.8 51.2 1.0 O2 A:HFT1001 4.8 54.9 1.0 CG1 A:VAL746 4.9 39.9 1.0 C6 A:HFT1001 5.0 53.5 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:51.8 occ:1.00 F3 A:HFT1001 0.0 51.8 1.0 C7 A:HFT1001 1.3 53.3 1.0 F2 A:HFT1001 2.1 53.4 1.0 F1 A:HFT1001 2.2 51.1 1.0 C3 A:HFT1001 2.4 54.4 1.0 O1 A:HFT1001 3.0 61.2 1.0 C4 A:HFT1001 3.1 54.6 1.0 N1 A:HFT1001 3.3 57.5 1.0 C2 A:HFT1001 3.4 53.9 1.0 CG A:MET749 3.5 48.6 1.0 CE2 A:PHE764 3.6 43.0 1.0 CB A:MET749 3.7 43.9 1.0 CE A:MET749 3.7 51.3 1.0 SD A:MET787 3.9 54.4 1.0 CD2 A:PHE764 4.0 44.1 1.0 CA A:VAL746 4.0 41.1 1.0 O A:MET745 4.1 44.5 1.0 CZ A:PHE764 4.2 44.2 1.0 SD A:MET749 4.2 53.4 1.0 N A:VAL746 4.3 43.8 1.0 C A:MET745 4.3 44.9 1.0 CG2 A:VAL746 4.4 42.5 1.0 O2 A:HFT1001 4.4 54.9 1.0 C5 A:HFT1001 4.4 53.3 1.0 C1 A:HFT1001 4.7 53.5 1.0 CB A:VAL746 4.8 40.8 1.0 CG A:PHE764 4.9 44.6 1.0 CB A:MET745 5.0 45.6 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