Zinc in PDB 2vsl: Crystal Structure of Xiap BIR3 with A Bivalent Smac Mimetic

The structure of Crystal Structure of Xiap BIR3 with A Bivalent Smac Mimetic, PDB code: 2vsl was solved by J.L.Meagher, J.A.Stuckey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.74 / 2.1
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	102.478, 102.478, 65.218, 90.00, 90.00, 90.00
R / Rfree (%)	21.8 / 22.6

The binding sites of Zinc atom in the Crystal Structure of Xiap BIR3 with A Bivalent Smac Mimetic (pdb code 2vsl). 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 Crystal Structure of Xiap BIR3 with A Bivalent Smac Mimetic, PDB code: 2vsl:

Zinc binding site 1 out of 1 in the Crystal Structure of Xiap BIR3 with A Bivalent Smac Mimetic


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Xiap BIR3 with A Bivalent Smac Mimetic within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1347 b:24.7 occ:1.00 NE2 A:HIS320 2.1 18.1 1.0 SG A:CYS303 2.2 25.4 1.0 SG A:CYS300 2.3 25.1 1.0 SG A:CYS327 2.4 26.0 1.0 CE1 A:HIS320 2.8 17.4 1.0 CB A:CYS300 3.0 19.3 1.0 CB A:CYS327 3.1 24.5 1.0 CB A:CYS303 3.3 26.0 1.0 CD2 A:HIS320 3.3 18.0 1.0 N A:CYS303 3.5 26.7 1.0 CA A:CYS303 4.0 25.7 1.0 ND1 A:HIS320 4.0 19.2 1.0 CG A:HIS320 4.3 18.9 1.0 CA A:CYS300 4.5 19.3 1.0 CA A:CYS327 4.5 25.9 1.0 CB A:HIS302 4.6 29.6 1.0 C A:HIS302 4.7 28.1 1.0 C A:CYS303 4.8 25.9 1.0 N A:GLY304 4.8 26.4 1.0 N A:HIS302 4.9 28.2 1.0 CB A:TYR324 4.9 25.3 1.0 CA A:HIS302 4.9 28.9 1.0 C A:CYS300 5.0 19.5 1.0

Z.Nikolovska-Coleska, J.L.Meagher, S.Jiang, C.Y.Yang, S.Qiu, P.P.Roller, J.A.Stuckey, S.Wang. Interaction of A Cyclic, Bivalent Smac Mimetic with the X-Linked Inhibitor of Apoptosis Protein. Biochemistry V. 47 9811 2008.
ISSN: ISSN 0006-2960
PubMed: 18717598
DOI: 10.1021/BI800785Y