Zinc in PDB 4j44: Crystal Structure of Xiap-BIR2 Domain with Aiav Bound

The structure of Crystal Structure of Xiap-BIR2 Domain with Aiav Bound, PDB code: 4j44 was solved by C.M.Lukacs, C.A.Janson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.98 / 1.30
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	74.889, 74.889, 109.022, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 19.3

The binding sites of Zinc atom in the Crystal Structure of Xiap-BIR2 Domain with Aiav Bound (pdb code 4j44). 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 Aiav Bound, PDB code: 4j44:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Xiap-BIR2 Domain with Aiav 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 Aiav Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:11.7 occ:1.00 NE2 A:HIS220 2.1 11.1 1.0 SG A:CYS227 2.3 12.5 1.0 SG A:CYS203 2.3 12.2 1.0 SG A:CYS200 2.4 11.8 1.0 CE1 A:HIS220 2.9 11.8 1.0 CB A:CYS200 3.1 11.3 1.0 CB A:CYS227 3.2 11.7 1.0 CD2 A:HIS220 3.2 11.2 1.0 CB A:CYS203 3.3 12.2 1.0 N A:CYS203 3.6 12.8 1.0 CA A:CYS203 4.0 12.6 1.0 ND1 A:HIS220 4.1 12.1 1.0 CG A:HIS220 4.3 11.7 1.0 CB A:ALA202 4.5 12.7 1.0 CA A:CYS227 4.5 11.4 1.0 CA A:CYS200 4.5 12.3 1.0 CG2 A:VAL230 4.7 14.9 1.0 C A:ALA202 4.7 12.5 1.0 CB A:PHE224 4.7 12.6 1.0 C A:CYS203 4.8 13.7 1.0 CB A:PHE229 4.8 14.8 1.0 N A:GLY204 4.9 13.3 1.0 CA A:ALA202 5.0 12.9 1.0 N A:ALA202 5.0 12.2 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Xiap-BIR2 Domain with Aiav 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 Aiav Bound within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn301 b:13.0 occ:1.00 NE2 C:HIS220 2.1 13.6 1.0 SG C:CYS203 2.3 12.8 1.0 SG C:CYS227 2.3 14.4 1.0 SG C:CYS200 2.3 13.1 1.0 CE1 C:HIS220 3.0 13.8 1.0 CB C:CYS200 3.0 12.9 1.0 CB C:CYS227 3.2 14.9 1.0 CB C:CYS203 3.2 11.6 1.0 CD2 C:HIS220 3.2 14.0 1.0 N C:CYS203 3.6 13.3 1.0 CA C:CYS203 4.0 12.3 1.0 ND1 C:HIS220 4.1 14.3 1.0 CG C:HIS220 4.3 13.7 1.0 CA C:CYS227 4.5 14.5 1.0 CA C:CYS200 4.5 12.4 1.0 CG2 C:VAL230 4.6 16.9 1.0 CB C:ALA202 4.6 14.5 1.0 C C:ALA202 4.7 14.0 1.0 CB C:PHE224 4.8 14.1 1.0 C C:CYS203 4.8 12.4 1.0 CB C:PHE229 4.9 15.8 1.0 N C:GLY204 4.9 12.0 1.0 N C:ALA202 5.0 13.1 1.0 CA C:ALA202 5.0 14.0 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