Zinc in PDB 3d9t: CIAP1-BIR3 in Complex with N-Terminal Peptide From Caspase- 9 (Atpfqe)

All present enzymatic activity of CIAP1-BIR3 in Complex with N-Terminal Peptide From Caspase- 9 (Atpfqe):
3.4.22.62;

The structure of CIAP1-BIR3 in Complex with N-Terminal Peptide From Caspase- 9 (Atpfqe), PDB code: 3d9t was solved by R.Kulathila, A.Price, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.04 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	30.268, 68.427, 122.358, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Zinc atom in the CIAP1-BIR3 in Complex with N-Terminal Peptide From Caspase- 9 (Atpfqe) (pdb code 3d9t). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the CIAP1-BIR3 in Complex with N-Terminal Peptide From Caspase- 9 (Atpfqe), PDB code: 3d9t:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the CIAP1-BIR3 in Complex with N-Terminal Peptide From Caspase- 9 (Atpfqe)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of CIAP1-BIR3 in Complex with N-Terminal Peptide From Caspase- 9 (Atpfqe) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:11.5 occ:1.00 NE2 A:HIS320 2.1 11.3 1.0 SG A:CYS327 2.2 9.9 1.0 SG A:CYS300 2.3 10.2 1.0 SG A:CYS303 2.3 11.2 1.0 CE1 A:HIS320 2.9 10.6 1.0 CB A:CYS327 3.1 10.2 1.0 CB A:CYS300 3.1 10.3 1.0 CB A:CYS303 3.2 13.6 1.0 CD2 A:HIS320 3.3 9.8 1.0 N A:CYS303 3.6 12.7 1.0 CA A:CYS303 4.0 12.9 1.0 ND1 A:HIS320 4.1 10.7 1.0 CG A:HIS320 4.3 8.8 1.0 CA A:CYS327 4.4 9.8 1.0 CB A:CYS302 4.5 12.5 1.0 CA A:CYS300 4.6 10.3 1.0 C A:CYS302 4.7 12.1 1.0 C A:CYS303 4.8 14.1 1.0 CB A:PHE324 4.9 13.2 1.0 N A:CYS302 4.9 12.5 1.0 CA A:CYS302 5.0 13.6 1.0 N A:ASP304 5.0 14.6 1.0

Zinc binding site 2 out of 2 in the CIAP1-BIR3 in Complex with N-Terminal Peptide From Caspase- 9 (Atpfqe)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of CIAP1-BIR3 in Complex with N-Terminal Peptide From Caspase- 9 (Atpfqe) within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn501 b:10.8 occ:1.00 NE2 B:HIS320 2.1 10.6 1.0 SG B:CYS327 2.3 10.6 1.0 SG B:CYS303 2.3 10.6 1.0 SG B:CYS300 2.3 9.8 1.0 CE1 B:HIS320 2.9 11.2 1.0 CB B:CYS327 3.1 9.9 1.0 CB B:CYS300 3.1 9.4 1.0 CB B:CYS303 3.2 12.8 1.0 CD2 B:HIS320 3.3 9.8 1.0 N B:CYS303 3.6 10.6 1.0 CA B:CYS303 4.0 11.8 1.0 ND1 B:HIS320 4.1 11.2 1.0 CG B:HIS320 4.3 10.4 1.0 CA B:CYS327 4.5 10.6 1.0 CB B:CYS302 4.5 10.1 1.0 CA B:CYS300 4.6 10.2 1.0 C B:CYS302 4.7 11.2 1.0 CB B:PHE324 4.8 11.6 1.0 C B:CYS303 4.9 13.2 1.0 N B:CYS302 4.9 11.8 1.0 CA B:CYS302 5.0 11.5 1.0

R.Kulathila, B.Vash, D.Sage, S.Cornell-Kennon, K.Wright, J.Koehn, T.Stams, K.Clark, A.Price. The Structure of the BIR3 Domain of CIAP1 in Complex with the N-Terminal Peptides of Smac and Caspase-9. Acta Crystallogr.,Sect.D V. 65 58 2009.
ISSN: ISSN 0907-4449
PubMed: 19153467
DOI: 10.1107/S0907444908039243