Zinc in PDB 2opy: Smac Mimic Bound to BIR3-Xiap

The structure of Smac Mimic Bound to BIR3-Xiap, PDB code: 2opy was solved by A.D.Wist, G.Lu, S.J.Riedl, Y.Shi, G.L.Mclendon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.80
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	71.200, 71.200, 105.100, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 23.5

The binding sites of Zinc atom in the Smac Mimic Bound to BIR3-Xiap (pdb code 2opy). 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 Smac Mimic Bound to BIR3-Xiap, PDB code: 2opy:

Zinc binding site 1 out of 1 in the Smac Mimic Bound to BIR3-Xiap


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Smac Mimic Bound to BIR3-Xiap within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn102 b:39.5 occ:1.00 NE2 A:HIS320 2.2 33.7 1.0 SG A:CYS300 2.3 36.9 1.0 SG A:CYS327 2.4 38.2 1.0 SG A:CYS303 2.4 39.6 1.0 CE1 A:HIS320 3.0 33.5 1.0 CB A:CYS327 3.0 36.1 1.0 CB A:CYS300 3.1 38.2 1.0 CB A:CYS303 3.2 36.8 1.0 CD2 A:HIS320 3.3 34.2 1.0 N A:CYS303 3.5 35.4 1.0 CA A:CYS303 3.9 37.1 1.0 ND1 A:HIS320 4.2 34.5 1.0 CG A:HIS320 4.4 35.1 1.0 CA A:CYS327 4.4 38.2 1.0 CA A:CYS300 4.6 38.3 1.0 CB A:HIS302 4.6 33.8 1.0 C A:HIS302 4.6 33.9 1.0 C A:CYS303 4.7 39.3 1.0 CB A:TYR324 4.8 33.2 1.0 CB A:TYR329 4.8 33.2 1.0 N A:GLY304 4.8 40.3 1.0 CA A:HIS302 5.0 34.1 1.0 N A:HIS302 5.0 36.2 1.0

A.D.Wist, L.Gu, S.J.Riedl, Y.Shi, G.L.Mclendon. Structure-Activity Based Study of the Smac-Binding Pocket Within the BIR3 Domain of Xiap. Bioorg.Med.Chem. V. 15 2935 2007.
ISSN: ISSN 0968-0896
PubMed: 17336535
DOI: 10.1016/J.BMC.2007.02.010