Zinc in PDB 4kmp: Structure of Xiap-BIR3 and Inhibitor

The structure of Structure of Xiap-BIR3 and Inhibitor, PDB code: 4kmp was solved by X.Li, J.Wang, S.M.Condon, Y.Shi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.25 / 1.95
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	32.016, 33.281, 48.002, 77.97, 70.54, 61.28
R / Rfree (%)	16.2 / 21.9

The structure of Structure of Xiap-BIR3 and Inhibitor also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Zinc atom in the Structure of Xiap-BIR3 and Inhibitor (pdb code 4kmp). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of Xiap-BIR3 and Inhibitor, PDB code: 4kmp:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of Xiap-BIR3 and Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Xiap-BIR3 and Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:27.0 occ:1.00 NE2 A:HIS320 2.1 23.3 1.0 SG A:CYS303 2.3 28.8 1.0 SG A:CYS327 2.3 26.2 1.0 SG A:CYS300 2.4 25.1 1.0 CE1 A:HIS320 2.8 22.0 1.0 CB A:CYS327 3.0 28.9 1.0 CB A:CYS300 3.1 24.8 1.0 CB A:CYS303 3.3 18.7 1.0 CD2 A:HIS320 3.3 23.8 1.0 N A:CYS303 3.7 22.7 1.0 CA A:CYS303 4.1 22.4 1.0 ND1 A:HIS320 4.1 26.7 1.0 CG A:HIS320 4.3 25.2 1.0 CA A:CYS327 4.4 24.0 1.0 CA A:CYS300 4.6 22.4 1.0 CB A:HIS302 4.6 22.6 1.0 C A:HIS302 4.8 25.9 1.0 C A:CYS303 4.9 25.9 1.0 CB A:TYR324 5.0 32.3 1.0 N A:GLY304 5.0 32.7 1.0 N A:HIS302 5.0 23.1 1.0

Zinc binding site 2 out of 2 in the Structure of Xiap-BIR3 and Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Xiap-BIR3 and Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:27.5 occ:1.00 NE2 B:HIS320 2.1 27.4 1.0 SG B:CYS303 2.3 25.2 1.0 SG B:CYS327 2.3 25.7 1.0 SG B:CYS300 2.4 25.3 1.0 CE1 B:HIS320 2.8 26.1 1.0 CB B:CYS327 3.1 25.1 1.0 CB B:CYS300 3.1 24.5 1.0 CB B:CYS303 3.2 16.5 1.0 CD2 B:HIS320 3.4 24.0 1.0 N B:CYS303 3.6 19.4 1.0 CA B:CYS303 4.0 21.1 1.0 ND1 B:HIS320 4.0 26.4 1.0 CG B:HIS320 4.3 29.8 1.0 CA B:CYS327 4.4 26.5 1.0 CA B:CYS300 4.6 24.2 1.0 CB B:HIS302 4.7 28.1 1.0 C B:HIS302 4.8 24.6 1.0 C B:CYS303 4.8 25.8 1.0 N B:GLY304 4.9 28.3 1.0 N B:HIS302 5.0 20.0 1.0 CB B:TYR324 5.0 28.0 1.0

X.Li, J.Wang, S.M.Condon, Y.Shi. Structure of Xiap-BIR3 and Inhibitor To Be Published.