Chlorine in PDB 2fj9: High Resolution Crystal Structure of the Unliganded Human Acbp

The structure of High Resolution Crystal Structure of the Unliganded Human Acbp, PDB code: 2fj9 was solved by J.P.Taskinen, D.M.Van Aalten, J.Knudsen, R.K.Wierenga, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.83 / 1.60
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	43.824, 43.824, 177.247, 90.00, 90.00, 120.00
R / Rfree (%)	19.6 / 22.9

The structure of High Resolution Crystal Structure of the Unliganded Human Acbp also contains other interesting chemical elements:

Lead	(Pb)	1 atom
Zinc	(Zn)	1 atom

The binding sites of Chlorine atom in the High Resolution Crystal Structure of the Unliganded Human Acbp (pdb code 2fj9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the High Resolution Crystal Structure of the Unliganded Human Acbp, PDB code: 2fj9:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the High Resolution Crystal Structure of the Unliganded Human Acbp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of High Resolution Crystal Structure of the Unliganded Human Acbp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl89 b:14.6 occ:1.00 PB A:PB1 1.8 16.5 0.7 OD2 A:ASP69 2.6 15.3 1.0 CG A:ASP69 3.1 23.1 1.0 OD1 A:ASP69 3.1 23.9 1.0 O A:HOH1075 3.5 40.2 1.0 O A:HOH1294 4.3 42.0 1.0 CB A:ASP69 4.4 17.6 1.0 O A:HOH1101 4.5 24.9 1.0 O A:HOH1009 4.9 20.4 1.0

Chlorine binding site 2 out of 2 in the High Resolution Crystal Structure of the Unliganded Human Acbp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of High Resolution Crystal Structure of the Unliganded Human Acbp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl90 b:29.0 occ:1.00 OD2 A:ASP22 2.6 23.1 1.0 OD1 A:ASP22 2.8 25.3 1.0 CG A:ASP22 3.1 24.4 1.0 O A:HOH1168 3.7 42.2 1.0 CB A:ASP22 4.6 18.5 1.0 O A:HOH1129 4.7 32.3 1.0 O A:HOH1030 4.9 25.4 1.0 O A:HOH1201 5.0 42.3 1.0

J.P.Taskinen, D.M.Van Aalten, J.Knudsen, R.K.Wierenga. High Resolution Crystal Structures of Unliganded and Liganded Human Liver Acbp Reveal A New Mode of Binding For the Acyl-Coa Ligand. Proteins V. 66 229 2006.
ISSN: ISSN 0887-3585
PubMed: 17044054
DOI: 10.1002/PROT.21124