Zinc in PDB 2i3i: Structure of An Ml-Iap/Xiap Chimera Bound to A Peptidomimetic

The structure of Structure of An Ml-Iap/Xiap Chimera Bound to A Peptidomimetic, PDB code: 2i3i was solved by W.J.Fairbrother, M.C.Franklin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.34 / 2.30
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	87.356, 87.356, 73.196, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 22.4

The binding sites of Zinc atom in the Structure of An Ml-Iap/Xiap Chimera Bound to A Peptidomimetic (pdb code 2i3i). 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 An Ml-Iap/Xiap Chimera Bound to A Peptidomimetic, PDB code: 2i3i:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of An Ml-Iap/Xiap Chimera Bound to A Peptidomimetic


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of An Ml-Iap/Xiap Chimera Bound to A Peptidomimetic within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:2.0 occ:1.00 NE2 A:HIS144 2.1 2.0 1.0 SG A:CYS127 2.3 2.0 1.0 SG A:CYS124 2.3 2.0 1.0 SG A:CYS151 2.3 2.0 1.0 CE1 A:HIS144 2.8 2.0 1.0 CB A:CYS124 3.2 2.0 1.0 CB A:CYS151 3.2 2.0 1.0 CB A:CYS127 3.3 2.0 1.0 CD2 A:HIS144 3.3 2.0 1.0 N A:CYS127 3.6 2.0 1.0 ND1 A:HIS144 4.0 2.0 1.0 CA A:CYS127 4.0 2.0 1.0 CG A:HIS144 4.3 2.0 1.0 CA A:CYS151 4.6 2.0 1.0 CB A:PHE126 4.6 2.0 1.0 CA A:CYS124 4.6 2.0 1.0 C A:PHE126 4.7 2.0 1.0 CB A:PHE148 4.8 2.0 1.0 C A:CYS127 4.9 2.0 1.0 N A:PHE126 4.9 2.0 1.0 CA A:PHE126 5.0 2.0 1.0

Zinc binding site 2 out of 2 in the Structure of An Ml-Iap/Xiap Chimera Bound to A Peptidomimetic


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of An Ml-Iap/Xiap Chimera Bound to A Peptidomimetic within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1001 b:2.0 occ:1.00 NE2 B:HIS144 2.1 2.0 1.0 SG B:CYS127 2.3 2.0 1.0 SG B:CYS151 2.3 2.0 1.0 SG B:CYS124 2.3 2.0 1.0 CE1 B:HIS144 2.9 2.0 1.0 CB B:CYS124 3.1 2.0 1.0 CB B:CYS151 3.2 2.0 1.0 CD2 B:HIS144 3.2 2.0 1.0 CB B:CYS127 3.3 2.0 1.0 N B:CYS127 3.7 2.0 1.0 ND1 B:HIS144 4.1 2.0 1.0 CA B:CYS127 4.1 2.0 1.0 CG B:HIS144 4.2 2.0 1.0 CA B:CYS151 4.5 2.0 1.0 CA B:CYS124 4.6 2.0 1.0 CB B:PHE126 4.7 2.0 1.0 C B:PHE126 4.8 2.0 1.0 CB B:PHE148 4.8 2.0 1.0 C B:CYS127 4.9 2.0 1.0

K.Zobel, L.Wang, E.Varfolomeev, M.C.Franklin, L.O.Elliott, H.J.Wallweber, D.C.Okawa, J.A.Flygare, D.Vucic, W.J.Fairbrother, K.Deshayes. Design, Synthesis, and Biological Activity of A Potent Smac Mimetic That Sensitizes Cancer Cells to Apoptosis By Antagonizing Iaps. Acs Chem.Biol. V. 1 525 2006.
ISSN: ISSN 1554-8929
PubMed: 17168540
DOI: 10.1021/CB600276Q