Chlorine in PDB 7b88: Crystal Structure of Retinoic Acid Receptor Alpha (Rxra) in Complexed with S99 Inhibitor

The structure of Crystal Structure of Retinoic Acid Receptor Alpha (Rxra) in Complexed with S99 Inhibitor, PDB code: 7b88 was solved by A.Chaikuad, S.Schierle, D.Merk, S.Knapp, Structural Genomics Consortium(Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.29 / 2.38
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	64.054, 64.054, 110.067, 90, 90, 90
R / Rfree (%)	19.9 / 25.9

The binding sites of Chlorine atom in the Crystal Structure of Retinoic Acid Receptor Alpha (Rxra) in Complexed with S99 Inhibitor (pdb code 7b88). 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 Retinoic Acid Receptor Alpha (Rxra) in Complexed with S99 Inhibitor, PDB code: 7b88:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Retinoic Acid Receptor Alpha (Rxra) in Complexed with S99 Inhibitor


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 Retinoic Acid Receptor Alpha (Rxra) in Complexed with S99 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:78.8 occ:1.00 CL1 A:T2K501 0.0 78.8 1.0 C16 A:T2K501 1.7 79.5 1.0 C17 A:T2K501 2.7 82.6 1.0 C15 A:T2K501 2.7 83.8 1.0 CD2 A:PHE346 3.4 62.1 1.0 C14 A:T2K501 4.0 84.4 1.0 C12 A:T2K501 4.0 81.7 1.0 CA A:PHE346 4.0 60.9 1.0 CE2 A:PHE346 4.1 65.9 1.0 CG A:PHE346 4.2 62.9 1.0 CB A:PHE346 4.2 60.6 1.0 CG2 A:VAL349 4.3 58.5 1.0 CD1 A:ILE268 4.4 82.9 1.0 N A:PHE346 4.4 57.6 1.0 CD1 A:ILE324 4.5 71.3 1.0 C13 A:T2K501 4.5 82.6 1.0 CG2 A:ILE345 4.8 62.8 1.0 CZ A:PHE313 4.8 66.5 1.0 C A:ILE345 4.8 56.6 1.0 CB A:VAL349 4.8 56.6 1.0 O A:ILE345 4.9 52.7 1.0 CE1 A:PHE313 5.0 69.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Retinoic Acid Receptor Alpha (Rxra) in Complexed with S99 Inhibitor


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 Retinoic Acid Receptor Alpha (Rxra) in Complexed with S99 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:81.6 occ:1.00 CL A:T2K501 0.0 81.6 1.0 C14 A:T2K501 1.7 84.4 1.0 C13 A:T2K501 2.7 82.6 1.0 C15 A:T2K501 2.7 83.8 1.0 CB A:HIS435 3.5 66.5 1.0 O A:CYS432 3.7 59.5 1.0 CA A:CYS432 3.9 60.1 1.0 C16 A:T2K501 4.0 79.5 1.0 C12 A:T2K501 4.0 81.7 1.0 CE2 A:PHE439 4.0 70.0 1.0 CB A:CYS432 4.1 61.6 1.0 CG A:HIS435 4.1 69.7 1.0 SG A:CYS432 4.2 64.2 1.0 C A:CYS432 4.3 61.9 1.0 CZ A:PHE439 4.4 68.1 1.0 CG A:LEU436 4.4 74.2 1.0 C17 A:T2K501 4.5 82.6 1.0 CD2 A:LEU436 4.6 78.8 1.0 ND1 A:HIS435 4.6 71.7 1.0 N A:LEU436 4.8 66.3 1.0 CA A:HIS435 4.8 67.8 1.0 CG2 A:ILE345 4.9 62.8 1.0 CD2 A:HIS435 5.0 77.0 1.0 CD1 A:LEU436 5.0 78.9 1.0 C10 A:T2K501 5.0 86.3 1.0

A.Chaikuad, S.Schierle, D.Merk, S.Knapp, Structural Genomics Consortium (Sgc). Crystal Structure of Retinoic Acid Receptor Alpha (Rxra) in Complexed with S99 Inhibitor To Be Published.