Chlorine in PDB 3rzf: Crystal Structure of Inhibitor of Kappab Kinase Beta (I4122)

The structure of Crystal Structure of Inhibitor of Kappab Kinase Beta (I4122), PDB code: 3rzf was solved by G.Xu, Y.C.Lo, Q.Li, G.Napolitano, X.Wu, X.Jiang, M.Dreano, M.Karin, H.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.96 / 4.00
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	164.656, 164.656, 273.458, 90.00, 90.00, 90.00
R / Rfree (%)	27 / 34

The binding sites of Chlorine atom in the Crystal Structure of Inhibitor of Kappab Kinase Beta (I4122) (pdb code 3rzf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Inhibitor of Kappab Kinase Beta (I4122), PDB code: 3rzf:

Chlorine binding site 1 out of 1 in the Crystal Structure of Inhibitor of Kappab Kinase Beta (I4122)


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 Inhibitor of Kappab Kinase Beta (I4122) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl676 b:0.0 occ:1.01 CLAA A:XNM676 0.0 0.0 1.0 CAB A:XNM676 1.7 0.1 1.0 CE A:MET96 2.5 0.9 1.0 CAE A:XNM676 2.7 0.2 1.0 CAC A:XNM676 2.7 0.2 1.0 SD A:MET96 3.0 0.4 1.0 CG1 A:VAL29 3.4 0.5 1.0 O A:ALA42 3.6 0.2 1.0 CB A:ALA42 3.8 0.8 1.0 C A:ALA42 3.9 0.8 1.0 CB A:MET96 4.0 0.1 1.0 CAF A:XNM676 4.0 0.7 1.0 CAD A:XNM676 4.0 0.5 1.0 CG A:MET96 4.2 0.9 1.0 N A:LYS44 4.3 0.9 1.0 N A:ILE43 4.4 0.4 1.0 C A:ILE43 4.4 0.3 1.0 CAG A:XNM676 4.5 0.6 1.0 CA A:ALA42 4.5 0.5 1.0 CB A:VAL29 4.6 0.1 1.0 CG2 A:VAL29 4.6 0.4 1.0 CB A:LYS44 4.7 0.7 1.0 CA A:ILE43 4.7 0.7 1.0 O A:ILE43 4.8 0.1 1.0 CA A:LYS44 4.9 0.8 1.0

G.Xu, Y.C.Lo, Q.Li, G.Napolitano, X.Wu, X.Jiang, M.Dreano, M.Karin, H.Wu. Crystal Structure of Inhibitor of Kappab Kinase Beta. Nature V. 472 325 2011.
ISSN: ISSN 0028-0836
PubMed: 21423167
DOI: 10.1038/NATURE09853