Zinc in PDB 4wvu: Crystal Structure of Xiap-BIR2 Domain Complexed with Ligand Bound

The structure of Crystal Structure of Xiap-BIR2 Domain Complexed with Ligand Bound, PDB code: 4wvu was solved by M.E.Pokross, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.24 / 2.02
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	28.261, 39.328, 33.058, 90.00, 95.51, 90.00
R / Rfree (%)	13.9 / 17.8

The binding sites of Zinc atom in the Crystal Structure of Xiap-BIR2 Domain Complexed with Ligand Bound (pdb code 4wvu). 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-BIR2 Domain Complexed with Ligand Bound, PDB code: 4wvu:

Zinc binding site 1 out of 1 in the Crystal Structure of Xiap-BIR2 Domain Complexed with Ligand Bound


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-BIR2 Domain Complexed with Ligand Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:7.2 occ:1.00 NE2 A:HIS220 2.1 4.0 1.0 SG A:CYS227 2.2 5.0 1.0 SG A:CYS200 2.3 5.8 1.0 SG A:CYS203 2.3 5.9 1.0 CE1 A:HIS220 2.9 4.7 1.0 CB A:CYS200 3.0 7.7 1.0 CB A:CYS227 3.1 6.3 1.0 CD2 A:HIS220 3.2 3.8 1.0 CB A:CYS203 3.3 6.3 1.0 N A:CYS203 3.5 4.3 1.0 CA A:CYS203 4.0 5.7 1.0 ND1 A:HIS220 4.1 4.6 1.0 CG A:HIS220 4.2 4.9 1.0 CA A:CYS227 4.4 4.5 1.0 CB A:ALA202 4.4 3.8 1.0 CA A:CYS200 4.5 6.8 1.0 C A:ALA202 4.6 3.4 1.0 C A:CYS203 4.9 4.9 1.0 CB A:PHE224 4.9 5.7 1.0 CA A:ALA202 4.9 3.2 1.0 CB A:PHE229 4.9 4.4 1.0 N A:ALA202 5.0 3.9 1.0 N A:GLY204 5.0 4.0 1.0 CG2 A:VAL230 5.0 8.3 1.0

B.A.Seigal, W.H.Connors, A.Fraley, R.M.Borzilleri, P.H.Carter, S.L.Emanuel, J.Fargnoli, K.S.Kim, M.Lei, J.G.Naglich, M.E.Pokross, S.L.Posy, H.Shen, N.Surti, R.Talbott, Y.Zhang, N.Terrett. The Discovery of Macrocyclic Xiap Antagonists From A Dna-Programmed Chemistry Library, and Their Optimization to Give Lead Compounds with in Vivo Antitumor Activity. J.Med.Chem. 2015.
ISSN: ISSN 0022-2623
PubMed: 25695766
DOI: 10.1021/JM501892G