Zinc in PDB 4kmn: Structure of CIAP1-BIR3 and Inhibitor

The structure of Structure of CIAP1-BIR3 and Inhibitor, PDB code: 4kmn 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)	30.21 / 1.52
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	67.714, 67.714, 66.913, 90.00, 90.00, 120.00
R / Rfree (%)	16 / 19.9

The structure of Structure of CIAP1-BIR3 and Inhibitor also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Zinc atom in the Structure of CIAP1-BIR3 and Inhibitor (pdb code 4kmn). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Structure of CIAP1-BIR3 and Inhibitor, PDB code: 4kmn:

Zinc binding site 1 out of 1 in the Structure of CIAP1-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 CIAP1-BIR3 and Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:22.8 occ:1.00 NE2 A:HIS320 2.2 25.0 1.0 SG A:CYS327 2.3 24.0 1.0 SG A:CYS303 2.3 23.8 1.0 SG A:CYS300 2.3 22.1 1.0 HB2 A:CYS327 2.8 31.8 1.0 H A:CYS303 2.9 27.8 1.0 CE1 A:HIS320 3.0 23.0 1.0 HE1 A:HIS320 3.0 27.6 1.0 HB3 A:CYS303 3.0 32.4 1.0 CB A:CYS327 3.1 26.5 1.0 HB3 A:CYS300 3.1 24.4 1.0 CB A:CYS300 3.1 20.3 1.0 CB A:CYS303 3.2 27.0 1.0 HB2 A:CYS300 3.2 24.4 1.0 CD2 A:HIS320 3.3 27.3 1.0 HB3 A:CYS327 3.4 31.8 1.0 HB3 A:CYS302 3.5 29.9 1.0 HD2 A:HIS320 3.6 32.8 1.0 N A:CYS303 3.6 23.1 1.0 HB2 A:CYS303 4.0 32.4 1.0 CA A:CYS303 4.0 22.6 1.0 ND1 A:HIS320 4.2 19.7 1.0 HB3 A:PHE329 4.2 25.6 1.0 HB2 A:PHE324 4.2 26.7 1.0 H A:CYS302 4.3 25.8 1.0 HB2 A:LEU330 4.4 27.1 1.0 CG A:HIS320 4.4 22.3 1.0 H A:LEU330 4.4 28.0 1.0 CA A:CYS327 4.4 22.1 1.0 H A:GLY305 4.4 26.8 1.0 CB A:CYS302 4.5 25.0 1.0 HA A:CYS327 4.5 26.5 1.0 HB3 A:PHE324 4.6 26.7 1.0 CA A:CYS300 4.6 18.9 1.0 HD2 A:PHE329 4.6 28.6 1.0 H A:ASP304 4.7 26.6 1.0 C A:CYS302 4.7 23.1 1.0 HA A:CYS303 4.8 27.1 1.0 CB A:PHE324 4.8 22.2 1.0 C A:CYS303 4.9 22.2 1.0 N A:CYS302 4.9 21.5 1.0 CA A:CYS302 4.9 21.0 1.0 HB3 A:LEU330 4.9 27.1 1.0 HD2 A:PHE324 4.9 31.4 1.0 HA A:CYS300 5.0 22.7 1.0 HG A:CYS302 5.0 32.8 1.0

X.Li, J.Wang, S.M.Condon, Y.Shi. Structure of CIAP1-BIR3 and Inhibitor To Be Published.