Zinc in PDB 3hl5: Crystal Structure of Xiap BIR3 with CS3

The structure of Crystal Structure of Xiap BIR3 with CS3, PDB code: 3hl5 was solved by S.G.Hymowitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.15 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	103.913, 39.940, 49.929, 90.00, 100.00, 90.00
R / Rfree (%)	17.6 / 20.9

The binding sites of Zinc atom in the Crystal Structure of Xiap BIR3 with CS3 (pdb code 3hl5). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Xiap BIR3 with CS3, PDB code: 3hl5:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Xiap BIR3 with CS3


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 CS3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn502 b:15.5 occ:1.00 NE2 A:HIS320 2.1 19.4 1.0 SG A:CYS303 2.3 14.0 1.0 SG A:CYS327 2.3 15.8 1.0 SG A:CYS300 2.3 15.0 1.0 CE1 A:HIS320 2.9 13.1 1.0 CB A:CYS300 3.1 15.7 1.0 CB A:CYS327 3.2 12.3 1.0 CB A:CYS303 3.3 11.8 1.0 CD2 A:HIS320 3.3 16.0 1.0 N A:CYS303 3.6 14.7 1.0 CA A:CYS303 4.0 13.6 1.0 ND1 A:HIS320 4.1 17.6 1.0 CG A:HIS320 4.3 17.0 1.0 CA A:CYS327 4.5 12.2 1.0 CA A:CYS300 4.6 13.1 1.0 CB A:HIS302 4.7 13.3 1.0 C A:HIS302 4.8 14.7 1.0 C A:CYS303 4.9 16.1 1.0 CB A:TYR324 4.9 13.8 1.0 N A:GLY304 5.0 16.9 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Xiap BIR3 with CS3


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Xiap BIR3 with CS3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn502 b:11.8 occ:1.00 NE2 B:HIS320 2.0 12.4 1.0 SG B:CYS327 2.3 11.8 1.0 SG B:CYS303 2.3 10.2 1.0 SG B:CYS300 2.3 11.0 1.0 CE1 B:HIS320 2.7 12.8 1.0 CB B:CYS300 3.1 11.3 1.0 CB B:CYS327 3.2 10.6 1.0 CD2 B:HIS320 3.3 13.2 1.0 CB B:CYS303 3.3 9.7 1.0 N B:CYS303 3.7 11.8 1.0 ND1 B:HIS320 4.0 13.6 1.0 CA B:CYS303 4.1 10.6 1.0 CG B:HIS320 4.2 13.1 1.0 CA B:CYS327 4.5 12.0 1.0 CA B:CYS300 4.6 10.6 1.0 CB B:HIS302 4.7 13.7 1.0 C B:HIS302 4.8 11.5 1.0 N B:HIS302 4.9 10.4 1.0 C B:CYS303 5.0 9.4 1.0 CB B:TYR329 5.0 10.8 1.0

C.Ndubaku, E.Varfolomeev, L.Wang, K.Zobel, K.Lau, L.O.Elliott, B.Maurer, A.V.Fedorova, J.N.Dynek, M.Koehler, S.G.Hymowitz, V.Tsui, K.Deshayes, W.J.Fairbrother, J.A.Flygare, D.Vucic. Antagonism of C-Iap and Xiap Proteins Is Required For Efficient Induction of Cell Death By Small-Molecule Iap Antagonists. Acs Chem.Biol. V. 4 557 2009.
ISSN: ISSN 1554-8929
PubMed: 19492850
DOI: 10.1021/CB900083M