Fluorine in PDB 4oj9: 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: 4oj9 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 / 3.31
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.379, 65.750, 69.486, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 36.2

The binding sites of Fluorine atom in the Crystal Structure of T877A-Ar-Lbd Bound with Co-Regulator Peptide (pdb code 4oj9). 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: 4oj9:
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:62.4 occ:1.00 F1 A:HFT1001 0.0 62.4 1.0 C7 A:HFT1001 1.3 71.3 1.0 F2 A:HFT1001 2.2 69.8 1.0 F3 A:HFT1001 2.2 72.3 1.0 C3 A:HFT1001 2.3 76.0 1.0 C2 A:HFT1001 2.6 76.8 1.0 CD1 A:LEU873 3.7 68.5 1.0 C4 A:HFT1001 3.7 81.6 1.0 SD A:MET787 3.9 72.2 1.0 CE2 A:PHE764 3.9 57.7 1.0 CG2 A:VAL746 3.9 64.6 1.0 C1 A:HFT1001 4.0 76.6 1.0 O10 A:HFT1001 4.0 72.1 1.0 SD A:MET742 4.2 78.3 1.0 CE A:MET787 4.3 66.3 1.0 CD2 A:LEU873 4.3 66.7 1.0 O1 A:HFT1001 4.3 94.8 1.0 N1 A:HFT1001 4.4 88.3 1.0 CA A:VAL746 4.6 59.6 1.0 CG A:LEU873 4.6 68.8 1.0 CB A:VAL746 4.6 61.5 1.0 CD2 A:PHE764 4.7 58.3 1.0 CG1 A:VAL746 4.7 62.9 1.0 CZ A:PHE764 4.7 57.6 1.0 N A:VAL746 4.7 53.5 1.0 C5 A:HFT1001 4.8 76.5 1.0 C10 A:HFT1001 4.8 71.7 1.0 N9 A:HFT1001 4.8 78.0 1.0 C6 A:HFT1001 4.9 75.1 1.0 CE A:MET749 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:69.8 occ:1.00 F2 A:HFT1001 0.0 69.8 1.0 C7 A:HFT1001 1.3 71.3 1.0 F3 A:HFT1001 2.1 72.3 1.0 F1 A:HFT1001 2.2 62.4 1.0 C3 A:HFT1001 2.3 76.0 1.0 O1 A:HFT1001 2.7 94.8 1.0 N A:VAL746 2.9 53.5 1.0 C A:MET745 2.9 51.6 1.0 C4 A:HFT1001 3.1 81.6 1.0 CA A:VAL746 3.1 59.6 1.0 O A:MET745 3.2 50.8 1.0 CB A:MET745 3.2 43.3 0.5 N1 A:HFT1001 3.3 88.3 1.0 C2 A:HFT1001 3.3 76.8 1.0 CG2 A:VAL746 3.4 64.6 1.0 CA A:MET745 3.7 48.0 0.5 CG A:MET745 3.8 39.1 0.5 CB A:VAL746 3.8 61.5 1.0 CB A:MET749 4.2 57.4 1.0 O A:MET742 4.2 79.3 1.0 C5 A:HFT1001 4.4 76.5 1.0 CG1 A:VAL746 4.4 62.9 1.0 SD A:MET742 4.5 78.3 1.0 C A:VAL746 4.5 63.3 1.0 C1 A:HFT1001 4.5 76.6 1.0 CG A:MET749 4.5 59.0 1.0 O2 A:HFT1001 4.6 82.5 1.0 N A:MET745 4.7 50.6 1.0 SD A:MET745 4.8 34.5 0.5 SD A:MET787 4.9 72.2 1.0 CE2 A:PHE764 4.9 57.7 1.0 C6 A:HFT1001 4.9 75.1 1.0 O A:VAL746 5.0 65.7 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:72.3 occ:1.00 F3 A:HFT1001 0.0 72.3 1.0 C7 A:HFT1001 1.3 71.3 1.0 F2 A:HFT1001 2.1 69.8 1.0 F1 A:HFT1001 2.2 62.4 1.0 C3 A:HFT1001 2.3 76.0 1.0 O1 A:HFT1001 2.8 94.8 1.0 N1 A:HFT1001 3.0 88.3 1.0 C4 A:HFT1001 3.0 81.6 1.0 CE2 A:PHE764 3.0 57.7 1.0 CG A:MET749 3.2 59.0 1.0 CD2 A:PHE764 3.3 58.3 1.0 CE A:MET749 3.3 50.7 1.0 C2 A:HFT1001 3.4 76.8 1.0 CB A:MET749 3.5 57.4 1.0 O2 A:HFT1001 3.9 82.5 1.0 CZ A:PHE764 4.0 57.6 1.0 SD A:MET787 4.0 72.2 1.0 SD A:MET749 4.0 54.9 1.0 O A:MET745 4.1 50.8 1.0 C5 A:HFT1001 4.3 76.5 1.0 CA A:VAL746 4.3 59.6 1.0 C A:MET745 4.4 51.6 1.0 CG A:PHE764 4.5 58.2 1.0 N A:VAL746 4.6 53.5 1.0 C1 A:HFT1001 4.6 76.6 1.0 CE A:MET787 4.7 66.3 1.0 CG2 A:VAL746 4.9 64.6 1.0 C6 A:HFT1001 4.9 75.1 1.0 CB A:VAL746 5.0 61.5 1.0 CE1 A:PHE764 5.0 60.4 1.0 CG1 A:VAL746 5.0 62.9 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