Fluorine in PDB 4olm: Crystal Structure of W741L-Ar-Lbd Bound with Co-Regulator Peptide

The structure of Crystal Structure of W741L-Ar-Lbd Bound with Co-Regulator Peptide, PDB code: 4olm 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)	25.93 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.076, 66.131, 67.732, 90.00, 90.00, 90.00
R / Rfree (%)	25.3 / 31.3

The binding sites of Fluorine atom in the Crystal Structure of W741L-Ar-Lbd Bound with Co-Regulator Peptide (pdb code 4olm). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of W741L-Ar-Lbd Bound with Co-Regulator Peptide, PDB code: 4olm:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Crystal Structure of W741L-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 W741L-Ar-Lbd Bound with Co-Regulator Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:0.8 occ:1.00 F18 A:1981001 0.0 0.8 1.0 C18 A:1981001 1.3 93.1 1.0 C19 A:1981001 2.4 97.2 1.0 C17 A:1981001 2.4 81.9 1.0 NE2 A:HIS874 3.4 78.5 1.0 C20 A:1981001 3.6 89.6 1.0 C16 A:1981001 3.6 85.3 1.0 CD2 A:LEU741 3.7 54.0 1.0 CG2 A:VAL903 3.7 58.0 1.0 CD2 A:HIS874 3.8 72.2 1.0 CG2 A:ILE898 4.0 99.0 1.0 O A:GLN738 4.0 58.1 1.0 C15 A:1981001 4.1 84.9 1.0 CB A:MET742 4.1 65.7 1.0 N A:MET742 4.2 49.1 1.0 CG A:LEU741 4.3 51.9 1.0 CB A:LEU741 4.4 54.6 1.0 CA A:MET742 4.6 61.9 1.0 CE1 A:HIS874 4.6 75.8 1.0

Fluorine binding site 2 out of 4 in the Crystal Structure of W741L-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 W741L-Ar-Lbd Bound with Co-Regulator Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:69.4 occ:1.00 F7B A:1981001 0.0 69.4 1.0 C7 A:1981001 1.3 71.3 1.0 F7C A:1981001 2.1 68.7 1.0 F7A A:1981001 2.2 62.9 1.0 C3 A:1981001 2.3 72.9 1.0 N A:VAL746 2.9 50.6 1.0 C2 A:1981001 3.1 72.2 1.0 C4 A:1981001 3.3 76.3 1.0 CB A:MET745 3.3 59.7 1.0 CG2 A:VAL746 3.4 72.6 1.0 C8 A:1981001 3.5 76.1 1.0 C A:MET745 3.6 54.7 1.0 CA A:VAL746 3.6 62.8 1.0 CE A:MET745 3.8 68.6 1.0 O A:MET742 3.9 63.3 1.0 CA A:MET745 4.0 58.6 1.0 CB A:VAL746 4.1 70.3 1.0 SD A:MET742 4.1 69.7 1.0 N8 A:1981001 4.1 62.4 1.0 O A:MET745 4.2 57.7 1.0 C1 A:1981001 4.3 66.4 1.0 C5 A:1981001 4.5 76.3 1.0 CG A:MET745 4.5 58.8 1.0 SD A:MET787 4.8 76.8 1.0 O10 A:1981001 4.8 65.5 1.0 N A:MET745 4.8 65.1 1.0 CD1 A:LEU873 4.9 62.6 1.0 C6 A:1981001 4.9 72.3 1.0 SD A:MET745 4.9 66.2 1.0 C A:MET742 4.9 62.5 1.0 CG A:MET742 4.9 67.3 1.0

Fluorine binding site 3 out of 4 in the Crystal Structure of W741L-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 W741L-Ar-Lbd Bound with Co-Regulator Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:68.7 occ:1.00 F7C A:1981001 0.0 68.7 1.0 C7 A:1981001 1.3 71.3 1.0 F7B A:1981001 2.1 69.4 1.0 F7A A:1981001 2.2 62.9 1.0 C3 A:1981001 2.3 72.9 1.0 C8 A:1981001 2.5 76.1 1.0 C4 A:1981001 2.7 76.3 1.0 N8 A:1981001 2.9 62.4 1.0 C2 A:1981001 3.5 72.2 1.0 CD2 A:PHE764 3.5 48.2 1.0 CE2 A:PHE764 3.5 51.1 1.0 N A:VAL746 3.7 50.6 1.0 CE A:MET749 3.7 68.2 1.0 CB A:MET749 3.8 53.7 1.0 CG A:MET749 3.8 57.6 1.0 CA A:VAL746 3.8 62.8 1.0 C A:MET745 4.0 54.7 1.0 C5 A:1981001 4.1 76.3 1.0 O A:MET745 4.1 57.7 1.0 SD A:MET787 4.1 76.8 1.0 CG2 A:VAL746 4.4 72.6 1.0 CB A:MET745 4.5 59.7 1.0 C1 A:1981001 4.6 66.4 1.0 SD A:MET749 4.6 73.4 1.0 CG A:PHE764 4.8 50.2 1.0 CB A:VAL746 4.8 70.3 1.0 CZ A:PHE764 4.8 44.7 1.0 CE A:MET787 4.8 77.3 1.0 C6 A:1981001 4.8 72.3 1.0 CA A:MET745 5.0 58.6 1.0 C A:VAL746 5.0 65.8 1.0

Fluorine binding site 4 out of 4 in the Crystal Structure of W741L-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 4 of Crystal Structure of W741L-Ar-Lbd Bound with Co-Regulator Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:62.9 occ:1.00 F7A A:1981001 0.0 62.9 1.0 C7 A:1981001 1.3 71.3 1.0 F7C A:1981001 2.2 68.7 1.0 F7B A:1981001 2.2 69.4 1.0 C3 A:1981001 2.3 72.9 1.0 C2 A:1981001 2.7 72.2 1.0 C4 A:1981001 3.6 76.3 1.0 SD A:MET787 3.6 76.8 1.0 CE2 A:PHE764 3.7 51.1 1.0 CE A:MET787 3.8 77.3 1.0 C1 A:1981001 4.0 66.4 1.0 CG2 A:VAL746 4.1 72.6 1.0 C8 A:1981001 4.1 76.1 1.0 O10 A:1981001 4.3 65.5 1.0 CD2 A:PHE764 4.3 48.2 1.0 CD1 A:LEU873 4.4 62.6 1.0 CD2 A:LEU873 4.5 61.1 1.0 SD A:MET742 4.6 69.7 1.0 C5 A:1981001 4.7 76.3 1.0 CZ A:PHE764 4.7 44.7 1.0 N A:VAL746 4.8 50.6 1.0 CE A:MET749 4.8 68.2 1.0 C6 A:1981001 4.8 72.3 1.0 CE A:MET780 4.8 0.2 1.0 CA A:VAL746 4.8 62.8 1.0 N8 A:1981001 4.9 62.4 1.0 N9 A:1981001 4.9 71.5 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