Chlorine in PDB 2jjz: Crystal Structure of Human IBA2, Orthorhombic Crystal Form

The structure of Crystal Structure of Human IBA2, Orthorhombic Crystal Form, PDB code: 2jjz was solved by J.O.Schulze, C.Quedenau, Y.Roske, A.Turnbull, U.Mueller, U.Heinemann, K.Buessow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.81 / 2.15
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	71.540, 186.500, 51.420, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 25.7

The structure of Crystal Structure of Human IBA2, Orthorhombic Crystal Form also contains other interesting chemical elements:

Zinc	(Zn)	4 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of Human IBA2, Orthorhombic Crystal Form (pdb code 2jjz). 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 Human IBA2, Orthorhombic Crystal Form, PDB code: 2jjz:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human IBA2, Orthorhombic Crystal Form


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 Human IBA2, Orthorhombic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1129 b:72.8 occ:0.70 CG B:GLU54 3.7 33.0 1.0 O B:HOH2043 4.0 57.8 1.0 CE B:MET57 4.3 44.0 1.0 SD B:MET57 4.3 43.7 1.0 OE2 B:GLU54 4.4 40.4 1.0 CE B:LYS53 4.5 29.1 1.0 CG B:GLU23 4.5 41.0 1.0 CD B:GLU54 4.6 39.5 1.0 CB B:GLU54 4.7 30.3 1.0 CA B:GLU54 4.7 30.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human IBA2, Orthorhombic Crystal Form


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 Human IBA2, Orthorhombic Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1131 b:53.3 occ:1.00 ND1 C:HIS85 2.2 45.9 1.0 O C:HOH2046 2.5 59.3 1.0 O C:HOH2045 2.7 63.1 1.0 O C:HOH2047 2.8 44.6 1.0 CE1 C:HIS85 3.1 48.0 1.0 CG C:HIS85 3.3 46.4 1.0 CB C:HIS85 3.7 45.0 1.0 NE2 C:HIS85 4.2 48.8 1.0 CA C:HIS85 4.3 45.0 1.0 CD2 C:HIS85 4.4 47.5 1.0 NZ C:LYS73 4.5 49.7 1.0 CD2 C:LEU69 4.6 36.1 1.0 CE C:MET88 4.9 40.5 1.0 CD C:LYS73 4.9 45.5 1.0 CG C:LEU69 4.9 34.1 1.0 CE C:LYS73 5.0 49.3 1.0

J.O.Schulze, C.Quedenau, Y.Roske, T.Adam, H.Schuler, J.Behlke, A.P.Turnbull, V.Sievert, C.Scheich, U.Mueller, U.Heinemann, K.Bussow. Structural and Functional Characterization of Human Iba Proteins. Febs J. V. 275 4627 2008.
ISSN: ISSN 1742-464X
PubMed: 18699778
DOI: 10.1111/J.1742-4658.2008.06605.X