Zinc in PDB 4j48: Crystal Structure of Xiap-BIR2 Domain with Amrv Bound

The structure of Crystal Structure of Xiap-BIR2 Domain with Amrv Bound, PDB code: 4j48 was solved by R.Gosu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.70 / 2.10
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	74.805, 74.805, 109.123, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 25.3

The binding sites of Zinc atom in the Crystal Structure of Xiap-BIR2 Domain with Amrv Bound (pdb code 4j48). 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-BIR2 Domain with Amrv Bound, PDB code: 4j48:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Xiap-BIR2 Domain with Amrv 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 with Amrv Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:21.9 occ:1.00 NE2 A:HIS220 2.2 21.1 1.0 SG A:CYS227 2.3 19.3 1.0 SG A:CYS200 2.3 25.3 1.0 SG A:CYS203 2.3 20.9 1.0 CE1 A:HIS220 3.0 21.4 1.0 CB A:CYS200 3.1 25.5 1.0 CB A:CYS203 3.1 21.4 1.0 CB A:CYS227 3.2 20.0 1.0 CD2 A:HIS220 3.3 20.4 1.0 N A:CYS203 3.5 20.9 1.0 CA A:CYS203 3.9 22.2 1.0 ND1 A:HIS220 4.2 19.4 1.0 CG A:HIS220 4.4 19.7 1.0 CB A:ALA202 4.4 20.4 1.0 CA A:CYS200 4.5 24.7 1.0 CA A:CYS227 4.5 20.9 1.0 CG2 A:VAL230 4.6 22.4 1.0 C A:ALA202 4.7 22.3 1.0 CB A:PHE224 4.7 22.7 1.0 C A:CYS203 4.8 23.5 1.0 N A:GLY204 4.8 24.6 1.0 CB A:PHE229 4.8 23.4 1.0 N A:ALA202 4.9 20.4 1.0 CA A:ALA202 4.9 21.3 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Xiap-BIR2 Domain with Amrv Bound


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-BIR2 Domain with Amrv Bound within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn301 b:24.3 occ:1.00 NE2 C:HIS220 2.2 27.6 1.0 SG C:CYS227 2.3 25.6 1.0 SG C:CYS203 2.3 20.7 1.0 SG C:CYS200 2.4 23.8 1.0 CB C:CYS200 3.0 19.8 1.0 CE1 C:HIS220 3.0 26.6 1.0 CB C:CYS227 3.2 24.1 1.0 CB C:CYS203 3.2 21.3 1.0 CD2 C:HIS220 3.3 26.9 1.0 N C:CYS203 3.5 23.0 1.0 CA C:CYS203 4.0 20.1 1.0 ND1 C:HIS220 4.2 25.7 1.0 CG C:HIS220 4.4 26.3 1.0 CA C:CYS200 4.4 20.9 1.0 CA C:CYS227 4.5 25.1 1.0 CB C:ALA202 4.5 22.4 1.0 C C:ALA202 4.6 23.8 1.0 CG2 C:VAL230 4.7 24.1 1.0 CB C:PHE224 4.8 21.9 1.0 C C:CYS203 4.8 21.4 1.0 CB C:PHE229 4.8 25.7 1.0 N C:ALA202 4.8 24.9 1.0 N C:GLY204 4.9 20.6 1.0 CA C:ALA202 4.9 24.2 1.0 C C:CYS200 5.0 22.5 1.0

C.Lukacs, C.Belunis, R.Crowther, W.Danho, L.Gao, B.Goggin, C.A.Janson, S.Li, S.Remiszewski, A.Schutt, M.K.Thakur, S.K.Singh, S.Swaminathan, R.Pandey, R.Tyagi, R.Gosu, A.V.Kamath, A.Kuglstatter. The Structure of Xiap BIR2: Understanding the Selectivity of the Bir Domains. Acta Crystallogr.,Sect.D V. 69 1717 2013.
ISSN: ISSN 0907-4449
PubMed: 23999295
DOI: 10.1107/S0907444913016284