Chlorine in PDB 2bxq: Human Serum Albumin Complexed with Myristate, Phenylbutazone and Indomethacin

The structure of Human Serum Albumin Complexed with Myristate, Phenylbutazone and Indomethacin, PDB code: 2bxq was solved by J.Ghuman, P.A.Zunszain, I.Petitpas, A.A.Bhattacharya, S.Curry, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.30 / 2.6
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	188.250, 38.824, 95.800, 90.00, 104.89, 90.00
R / Rfree (%)	19.6 / 25.6

The binding sites of Chlorine atom in the Human Serum Albumin Complexed with Myristate, Phenylbutazone and Indomethacin (pdb code 2bxq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Serum Albumin Complexed with Myristate, Phenylbutazone and Indomethacin, PDB code: 2bxq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human Serum Albumin Complexed with Myristate, Phenylbutazone and Indomethacin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Serum Albumin Complexed with Myristate, Phenylbutazone and Indomethacin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2001 b:75.2 occ:1.00 CL A:IMN2001 0.0 75.2 1.0 C13 A:IMN2001 1.7 75.1 1.0 C12 A:IMN2001 2.7 75.8 1.0 C14 A:IMN2001 2.7 74.8 1.0 N A:PHE211 3.4 33.4 1.0 CA A:PHE211 3.5 31.2 1.0 CB A:PHE211 3.7 30.4 1.0 C A:ALA210 3.8 35.4 1.0 O A:SER202 3.9 41.1 1.0 CB A:ALA210 3.9 36.0 1.0 C11 A:IMN2001 4.0 76.6 1.0 O A:GLY207 4.0 41.4 1.0 C15 A:IMN2001 4.0 75.4 1.0 C A:SER202 4.1 39.7 1.0 O A:ALA210 4.2 36.6 1.0 CB A:SER202 4.3 38.4 1.0 CB A:PHE206 4.3 47.9 1.0 CD1 A:PHE211 4.3 29.3 1.0 N A:LEU203 4.4 40.9 1.0 CA A:LEU203 4.4 41.5 1.0 CA A:ALA210 4.5 36.5 1.0 CG A:PHE211 4.5 28.7 1.0 CD1 A:PHE206 4.5 48.0 1.0 C10 A:IMN2001 4.6 76.8 1.0 CD2 A:LEU481 4.6 56.2 1.0 CA A:SER202 4.8 39.4 1.0 CG A:PHE206 4.9 48.4 1.0 C A:PHE211 5.0 30.4 1.0

Chlorine binding site 2 out of 2 in the Human Serum Albumin Complexed with Myristate, Phenylbutazone and Indomethacin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Serum Albumin Complexed with Myristate, Phenylbutazone and Indomethacin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2003 b:0.3 occ:1.00 CL A:IMN2003 0.0 0.3 1.0 C13 A:IMN2003 1.7 0.4 1.0 C14 A:IMN2003 2.7 0.9 1.0 C12 A:IMN2003 2.7 0.2 1.0 CG A:PHE157 3.6 40.8 1.0 CB A:PHE157 3.6 38.0 1.0 CD1 A:PHE157 3.8 40.5 1.0 C14 A:MYR1001 3.9 56.8 1.0 C15 A:IMN2003 4.0 0.6 1.0 C11 A:IMN2003 4.0 0.9 1.0 CD2 A:PHE157 4.1 40.9 1.0 CD1 A:LEU154 4.2 45.3 1.0 CE1 A:TYR161 4.3 38.0 1.0 CA A:GLY189 4.3 40.3 1.0 CE1 A:PHE157 4.5 42.3 1.0 C10 A:IMN2003 4.5 0.5 1.0 CG2 A:ILE142 4.6 35.4 1.0 CE2 A:PHE157 4.8 41.4 1.0 OH A:TYR161 4.9 34.9 1.0 CZ A:PHE157 5.0 42.7 1.0

J.Ghuman, P.A.Zunszain, I.Petitpas, A.A.Bhattacharya, M.Otagiri, S.Curry. Structural Basis of the Drug-Binding Specificity of Human Serum Albumin. J.Mol.Biol. V. 353 38 2005.
ISSN: ISSN 0022-2836
PubMed: 16169013
DOI: 10.1016/J.JMB.2005.07.075