Fluorine in PDB 4oh5: 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: 4oh5 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)	32.85 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.230, 65.660, 70.365, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 25.7

The binding sites of Fluorine atom in the Crystal Structure of T877A-Ar-Lbd Bound with Co-Regulator Peptide (pdb code 4oh5). 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: 4oh5:
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:28.2 occ:1.00 F1 A:HFT1001 0.0 28.2 1.0 C7 A:HFT1001 1.3 24.0 1.0 F3 A:HFT1001 2.2 23.2 1.0 F2 A:HFT1001 2.2 20.1 1.0 C3 A:HFT1001 2.3 22.5 1.0 C2 A:HFT1001 2.7 20.2 1.0 CD1 A:LEU873 3.6 30.0 1.0 SD A:MET787 3.6 30.0 1.0 C4 A:HFT1001 3.6 22.0 1.0 CD2 A:LEU873 3.9 30.4 1.0 CG2 A:VAL746 3.9 19.4 1.0 CE A:MET787 4.0 27.5 1.0 CE2 A:PHE764 4.0 19.7 1.0 C1 A:HFT1001 4.1 21.8 1.0 O10 A:HFT1001 4.2 23.7 1.0 N1 A:HFT1001 4.3 22.8 1.0 O1 A:HFT1001 4.3 28.0 1.0 SD A:MET742 4.3 19.3 1.0 CG A:LEU873 4.3 27.3 1.0 C5 A:HFT1001 4.7 20.5 1.0 CA A:VAL746 4.8 18.4 1.0 CD2 A:PHE764 4.8 17.6 1.0 CZ A:PHE764 4.9 18.8 1.0 C6 A:HFT1001 4.9 20.7 1.0 N A:VAL746 4.9 18.3 1.0 CE A:MET749 5.0 24.9 1.0 CB A:VAL746 5.0 19.7 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:20.1 occ:1.00 F2 A:HFT1001 0.0 20.1 1.0 C7 A:HFT1001 1.3 24.0 1.0 F3 A:HFT1001 2.1 23.2 1.0 F1 A:HFT1001 2.2 28.2 1.0 C3 A:HFT1001 2.4 22.5 1.0 O1 A:HFT1001 2.9 28.0 1.0 N A:VAL746 3.0 18.3 1.0 C4 A:HFT1001 3.2 22.0 1.0 CB A:MET745 3.2 17.4 1.0 C A:MET745 3.3 18.8 1.0 N1 A:HFT1001 3.3 22.8 1.0 CA A:VAL746 3.4 18.4 1.0 C2 A:HFT1001 3.4 20.2 1.0 CG2 A:VAL746 3.4 19.4 1.0 O A:MET745 3.6 16.5 1.0 CA A:MET745 3.9 16.4 1.0 O A:MET742 3.9 14.4 1.0 CB A:VAL746 4.0 19.7 1.0 CE A:MET745 4.0 25.8 1.0 SD A:MET742 4.2 19.3 1.0 C5 A:HFT1001 4.4 20.5 1.0 CG A:MET745 4.5 20.1 1.0 C1 A:HFT1001 4.6 21.8 1.0 O2 A:HFT1001 4.6 25.7 1.0 CD1 A:LEU873 4.7 30.0 1.0 C A:VAL746 4.7 17.6 1.0 SD A:MET745 4.7 23.9 1.0 SD A:MET787 4.8 30.0 1.0 N A:MET745 4.8 15.1 1.0 CB A:MET749 4.9 17.5 1.0 C A:MET742 5.0 14.0 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:23.2 occ:1.00 F3 A:HFT1001 0.0 23.2 1.0 C7 A:HFT1001 1.3 24.0 1.0 F2 A:HFT1001 2.1 20.1 1.0 F1 A:HFT1001 2.2 28.2 1.0 C3 A:HFT1001 2.4 22.5 1.0 O1 A:HFT1001 2.6 28.0 1.0 N1 A:HFT1001 2.8 22.8 1.0 C4 A:HFT1001 2.9 22.0 1.0 CE2 A:PHE764 3.3 19.7 1.0 CE A:MET749 3.5 24.9 1.0 C2 A:HFT1001 3.6 20.2 1.0 CD2 A:PHE764 3.7 17.6 1.0 O2 A:HFT1001 3.7 25.7 1.0 CB A:MET749 3.7 17.5 1.0 CG A:MET749 3.7 19.6 1.0 SD A:MET787 3.8 30.0 1.0 O A:MET745 4.1 16.5 1.0 CA A:VAL746 4.1 18.4 1.0 C5 A:HFT1001 4.2 20.5 1.0 N A:VAL746 4.3 18.3 1.0 C A:MET745 4.3 18.8 1.0 CZ A:PHE764 4.4 18.8 1.0 SD A:MET749 4.5 21.3 1.0 CG2 A:VAL746 4.5 19.4 1.0 CE A:MET787 4.6 27.5 1.0 C1 A:HFT1001 4.8 21.8 1.0 CB A:MET745 4.8 17.4 1.0 CB A:VAL746 5.0 19.7 1.0 CG A:PHE764 5.0 16.7 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