Fluorine in PDB 4oil: 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: 4oil 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)	23.99 / 2.51
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.417, 65.593, 70.283, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 28.5

The binding sites of Fluorine atom in the Crystal Structure of T877A-Ar-Lbd Bound with Co-Regulator Peptide (pdb code 4oil). 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: 4oil:
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:51.6 occ:1.00 F1 A:HFT1001 0.0 51.6 1.0 C7 A:HFT1001 1.3 52.9 1.0 F2 A:HFT1001 2.1 54.3 1.0 F3 A:HFT1001 2.2 56.9 1.0 C3 A:HFT1001 2.3 46.5 1.0 C2 A:HFT1001 2.7 48.5 1.0 CD1 A:LEU873 3.7 52.9 1.0 CG2 A:VAL746 3.7 46.1 1.0 SD A:MET787 3.7 52.4 1.0 C4 A:HFT1001 3.7 48.1 1.0 CD2 A:LEU873 4.0 49.7 1.0 C1 A:HFT1001 4.1 50.7 1.0 O10 A:HFT1001 4.1 53.4 1.0 SD A:MET742 4.1 43.7 1.0 O1 A:HFT1001 4.2 69.9 1.0 CE2 A:PHE764 4.3 33.6 1.0 CE A:MET787 4.3 50.7 1.0 N1 A:HFT1001 4.4 57.3 1.0 CG A:LEU873 4.4 51.9 1.0 CA A:VAL746 4.6 37.9 1.0 CB A:VAL746 4.7 44.9 1.0 N A:VAL746 4.7 41.7 1.0 C5 A:HFT1001 4.8 56.6 1.0 C10 A:HFT1001 4.9 52.9 1.0 N9 A:HFT1001 4.9 52.6 1.0 CE A:MET749 4.9 38.5 1.0 C6 A:HFT1001 5.0 49.4 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:54.3 occ:1.00 F2 A:HFT1001 0.0 54.3 1.0 C7 A:HFT1001 1.3 52.9 1.0 F1 A:HFT1001 2.1 51.6 1.0 F3 A:HFT1001 2.1 56.9 1.0 C3 A:HFT1001 2.4 46.5 1.0 O1 A:HFT1001 2.8 69.9 1.0 N A:VAL746 2.9 41.7 1.0 CB A:MET745 3.2 40.0 1.0 C A:MET745 3.2 39.0 1.0 CA A:VAL746 3.2 37.9 1.0 C4 A:HFT1001 3.2 48.1 1.0 CG2 A:VAL746 3.3 46.1 1.0 C2 A:HFT1001 3.4 48.5 1.0 N1 A:HFT1001 3.4 57.3 1.0 O A:MET745 3.4 38.5 1.0 CA A:MET745 3.8 36.7 1.0 CB A:VAL746 3.9 44.9 1.0 O A:MET742 4.0 32.5 1.0 CG A:MET745 4.4 43.5 1.0 SD A:MET742 4.5 43.7 1.0 C5 A:HFT1001 4.5 56.6 1.0 C A:VAL746 4.5 39.0 1.0 CB A:MET749 4.6 37.4 1.0 SD A:MET745 4.6 53.6 1.0 C1 A:HFT1001 4.6 50.7 1.0 O2 A:HFT1001 4.7 63.9 1.0 SD A:MET787 4.7 52.4 1.0 N A:MET745 4.9 37.7 1.0 CD1 A:LEU873 4.9 52.9 1.0 CG1 A:VAL746 4.9 52.1 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:56.9 occ:1.00 F3 A:HFT1001 0.0 56.9 1.0 C7 A:HFT1001 1.3 52.9 1.0 F2 A:HFT1001 2.1 54.3 1.0 F1 A:HFT1001 2.2 51.6 1.0 C3 A:HFT1001 2.4 46.5 1.0 O1 A:HFT1001 2.6 69.9 1.0 C4 A:HFT1001 3.0 48.1 1.0 N1 A:HFT1001 3.0 57.3 1.0 CE2 A:PHE764 3.2 33.6 1.0 CE A:MET749 3.3 38.5 1.0 C2 A:HFT1001 3.5 48.5 1.0 CD2 A:PHE764 3.6 33.3 1.0 CG A:MET749 3.7 42.2 1.0 CB A:MET749 3.8 37.4 1.0 SD A:MET787 3.8 52.4 1.0 CA A:VAL746 4.2 37.9 1.0 O A:MET745 4.2 38.5 1.0 CZ A:PHE764 4.2 31.5 1.0 O2 A:HFT1001 4.3 63.9 1.0 C5 A:HFT1001 4.3 56.6 1.0 SD A:MET749 4.3 43.6 1.0 N A:VAL746 4.5 41.7 1.0 C A:MET745 4.5 39.0 1.0 CG2 A:VAL746 4.6 46.1 1.0 C1 A:HFT1001 4.7 50.7 1.0 CE A:MET787 4.7 50.7 1.0 CG A:PHE764 4.9 36.0 1.0 CB A:MET745 5.0 40.0 1.0 CB A:VAL746 5.0 44.9 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