Chlorine in PDB 4psq: Crystal Structure of Retinol-Binding Protein 4 (RBP4) in Complex with A Non-Retinoid Ligand

The structure of Crystal Structure of Retinol-Binding Protein 4 (RBP4) in Complex with A Non-Retinoid Ligand, PDB code: 4psq was solved by Z.Wang, S.Johnstone, N.Walker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.40
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	96.531, 96.531, 118.072, 90.00, 90.00, 120.00
R / Rfree (%)	24.2 / 28.7

The binding sites of Chlorine atom in the Crystal Structure of Retinol-Binding Protein 4 (RBP4) in Complex with A Non-Retinoid Ligand (pdb code 4psq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Retinol-Binding Protein 4 (RBP4) in Complex with A Non-Retinoid Ligand, PDB code: 4psq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Retinol-Binding Protein 4 (RBP4) in Complex with A Non-Retinoid Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Retinol-Binding Protein 4 (RBP4) in Complex with A Non-Retinoid Ligand within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:43.2 occ:1.00 CL1 B:2WL201 0.0 43.2 1.0 C2 B:2WL201 1.8 39.2 1.0 C3 B:2WL201 2.8 38.8 1.0 C1 B:2WL201 2.8 39.0 1.0 N1 B:2WL201 3.0 38.5 1.0 C10 B:2WL201 3.4 38.4 1.0 CE2 B:PHE135 3.8 28.6 1.0 CE1 B:HIS104 4.0 34.9 1.0 C4 B:2WL201 4.1 38.7 1.0 C6 B:2WL201 4.1 38.8 1.0 CD2 B:PHE135 4.1 29.0 1.0 CE B:MET88 4.2 41.4 1.0 SD B:MET88 4.3 40.9 1.0 C9 B:2WL201 4.3 38.7 1.0 ND1 B:HIS104 4.3 35.2 1.0 C7 B:2WL201 4.4 37.9 1.0 O B:HOH309 4.5 33.8 1.0 C5 B:2WL201 4.6 38.4 1.0 CE1 B:TYR133 4.8 27.0 1.0 OH B:TYR133 4.8 26.6 1.0 CZ B:PHE135 4.8 28.3 1.0 NE2 B:GLN117 4.9 29.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Retinol-Binding Protein 4 (RBP4) in Complex with A Non-Retinoid Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Retinol-Binding Protein 4 (RBP4) in Complex with A Non-Retinoid Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:45.7 occ:1.00 CL1 A:2WL201 0.0 45.7 1.0 C2 A:2WL201 1.8 41.0 1.0 C3 A:2WL201 2.8 40.6 1.0 C1 A:2WL201 2.8 40.6 1.0 N1 A:2WL201 3.0 39.8 1.0 C10 A:2WL201 3.5 39.6 1.0 CE2 A:PHE135 3.9 28.9 1.0 CE1 A:HIS104 4.0 35.2 1.0 C4 A:2WL201 4.1 40.2 1.0 C6 A:2WL201 4.1 39.8 1.0 CE A:MET88 4.1 41.0 1.0 SD A:MET88 4.2 41.0 1.0 C9 A:2WL201 4.3 39.6 1.0 CD2 A:PHE135 4.3 29.0 1.0 ND1 A:HIS104 4.3 35.4 1.0 C7 A:2WL201 4.3 39.2 1.0 O A:HOH317 4.5 36.5 1.0 C5 A:2WL201 4.6 39.8 1.0 CE1 A:TYR133 4.8 26.1 1.0 OH A:TYR133 4.8 25.9 1.0 CZ A:PHE135 5.0 28.5 1.0 C8 A:2WL201 5.0 39.1 1.0

Y.Wang, R.Connors, P.Fan, X.Wang, Z.Wang, J.Liu, F.Kayser, J.C.Medina, S.Johnstone, H.Xu, S.Thibault, N.Walker, M.Conn, Y.Zhang, Q.Liu, M.P.Grillo, A.Motani, P.Coward, Z.Wang. Structure-Assisted Discovery of the First Non-Retinoid Ligands For Retinol-Binding Protein 4. Bioorg.Med.Chem.Lett. V. 24 2885 2014.
ISSN: ISSN 0960-894X
PubMed: 24835984
DOI: 10.1016/J.BMCL.2014.04.089