Fluorine in PDB 4oiu: 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: 4oiu 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 / 3.01
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.275, 66.109, 70.200, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 33.8

The binding sites of Fluorine atom in the Crystal Structure of T877A-Ar-Lbd Bound with Co-Regulator Peptide (pdb code 4oiu). 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: 4oiu:
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:69.0 occ:1.00 F1 A:HFT1001 0.0 69.0 1.0 C7 A:HFT1001 1.3 82.5 1.0 F3 A:HFT1001 2.2 78.8 1.0 F2 A:HFT1001 2.2 79.3 1.0 C3 A:HFT1001 2.3 87.8 1.0 C2 A:HFT1001 2.7 84.8 1.0 C4 A:HFT1001 3.7 90.8 1.0 SD A:MET787 3.9 76.7 1.0 CE2 A:PHE764 4.0 73.6 1.0 CG2 A:VAL746 4.0 52.9 1.0 C1 A:HFT1001 4.0 85.3 1.0 O10 A:HFT1001 4.1 77.3 1.0 CD2 A:LEU873 4.1 61.7 1.0 CD1 A:LEU873 4.3 57.6 1.0 N1 A:HFT1001 4.4 92.6 1.0 SD A:MET742 4.6 78.5 1.0 CE A:MET787 4.6 74.8 1.0 O1 A:HFT1001 4.6 94.1 1.0 CD2 A:PHE764 4.6 68.9 1.0 CA A:VAL746 4.7 60.4 1.0 N A:VAL746 4.8 57.8 1.0 C5 A:HFT1001 4.8 90.5 1.0 CG A:LEU873 4.8 60.7 1.0 N9 A:HFT1001 4.9 95.4 1.0 C10 A:HFT1001 4.9 88.4 1.0 C6 A:HFT1001 4.9 88.3 1.0 CZ A:PHE764 4.9 75.7 1.0 CE A:MET749 4.9 62.9 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:79.3 occ:1.00 F2 A:HFT1001 0.0 79.3 1.0 C7 A:HFT1001 1.3 82.5 1.0 F3 A:HFT1001 2.1 78.8 1.0 F1 A:HFT1001 2.2 69.0 1.0 C3 A:HFT1001 2.3 87.8 1.0 N A:VAL746 3.0 57.8 1.0 O1 A:HFT1001 3.1 94.1 1.0 CB A:MET745 3.1 67.5 1.0 C A:MET745 3.1 62.8 1.0 C4 A:HFT1001 3.2 90.8 1.0 C2 A:HFT1001 3.2 84.8 1.0 N1 A:HFT1001 3.4 92.6 1.0 O A:MET745 3.5 61.5 1.0 CA A:VAL746 3.5 60.4 1.0 CA A:MET745 3.7 67.0 1.0 CG2 A:VAL746 3.8 52.9 1.0 CG A:MET745 4.2 70.3 1.0 CB A:VAL746 4.2 59.5 1.0 O A:MET742 4.3 67.8 1.0 SD A:MET745 4.3 71.9 1.0 C5 A:HFT1001 4.4 90.5 1.0 CB A:MET749 4.4 60.4 1.0 C1 A:HFT1001 4.4 85.3 1.0 SD A:MET742 4.6 78.5 1.0 CG A:MET749 4.6 65.4 1.0 O2 A:HFT1001 4.6 93.2 1.0 C A:VAL746 4.8 66.7 1.0 N A:MET745 4.8 72.9 1.0 C6 A:HFT1001 4.9 88.3 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:78.8 occ:1.00 F3 A:HFT1001 0.0 78.8 1.0 C7 A:HFT1001 1.3 82.5 1.0 F2 A:HFT1001 2.1 79.3 1.0 F1 A:HFT1001 2.2 69.0 1.0 C3 A:HFT1001 2.3 87.8 1.0 N1 A:HFT1001 2.8 92.6 1.0 C4 A:HFT1001 2.9 90.8 1.0 CG A:MET749 3.0 65.4 1.0 O1 A:HFT1001 3.0 94.1 1.0 CE2 A:PHE764 3.3 73.6 1.0 CB A:MET749 3.4 60.4 1.0 CD2 A:PHE764 3.5 68.9 1.0 C2 A:HFT1001 3.5 84.8 1.0 O2 A:HFT1001 3.5 93.2 1.0 CE A:MET749 3.6 62.9 1.0 SD A:MET749 4.1 64.7 1.0 O A:MET745 4.1 61.5 1.0 C5 A:HFT1001 4.2 90.5 1.0 CA A:VAL746 4.3 60.4 1.0 C A:MET745 4.4 62.8 1.0 SD A:MET787 4.4 76.7 1.0 CZ A:PHE764 4.4 75.7 1.0 N A:VAL746 4.4 57.8 1.0 C1 A:HFT1001 4.7 85.3 1.0 CG A:PHE764 4.7 68.9 1.0 CG2 A:VAL746 4.8 52.9 1.0 CA A:MET749 4.9 63.3 1.0 C6 A:HFT1001 4.9 88.3 1.0 CB A:MET745 4.9 67.5 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