Zinc in PDB 6exw: Crystal Structure of CIAP1-BIR3 in Complex with A Covalently Bound Sm

All present enzymatic activity of Crystal Structure of CIAP1-BIR3 in Complex with A Covalently Bound Sm:
2.3.2.27;

The structure of Crystal Structure of CIAP1-BIR3 in Complex with A Covalently Bound Sm, PDB code: 6exw was solved by A.Corti, F.Cossu, M.Milani, E.Mastrangelo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.88 / 2.20
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	53.799, 53.799, 176.627, 90.00, 90.00, 120.00
R / Rfree (%)	19.1 / 25.1

The binding sites of Zinc atom in the Crystal Structure of CIAP1-BIR3 in Complex with A Covalently Bound Sm (pdb code 6exw). 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 CIAP1-BIR3 in Complex with A Covalently Bound Sm, PDB code: 6exw:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of CIAP1-BIR3 in Complex with A Covalently Bound Sm


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 CIAP1-BIR3 in Complex with A Covalently Bound Sm within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn601 b:22.6 occ:1.00 NE2 A:HIS320 2.1 20.8 1.0 SG A:CYS303 2.3 28.5 1.0 SG A:CYS300 2.3 18.7 1.0 SG A:CYS327 2.3 24.8 1.0 O A:HOH709 2.6 30.0 1.0 CE1 A:HIS320 3.0 23.9 1.0 CB A:CYS327 3.1 21.7 1.0 CB A:CYS300 3.1 22.3 1.0 CD2 A:HIS320 3.3 19.2 1.0 CB A:CYS303 3.3 24.9 1.0 N A:CYS303 3.7 29.1 1.0 CA A:CYS303 4.1 30.8 1.0 ND1 A:HIS320 4.1 26.7 1.0 CG A:HIS320 4.3 21.8 1.0 CA A:CYS327 4.4 26.7 1.0 CB A:CYS302 4.5 35.6 1.0 CA A:CYS300 4.6 27.2 1.0 C A:CYS302 4.8 28.5 1.0 CB A:PHE324 4.8 30.5 1.0 C A:CYS303 4.9 27.6 1.0 N A:CYS302 5.0 32.4 1.0 CA A:CYS302 5.0 32.1 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of CIAP1-BIR3 in Complex with A Covalently Bound Sm


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 CIAP1-BIR3 in Complex with A Covalently Bound Sm within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn601 b:25.8 occ:1.00 NE2 C:HIS320 2.1 21.6 1.0 CE1 C:HIS320 2.3 22.6 1.0 SG C:CYS303 2.3 27.2 1.0 SG C:CYS327 2.3 26.7 1.0 SG C:CYS300 2.4 20.2 1.0 CB C:CYS327 2.9 21.3 1.0 CB C:CYS300 3.1 26.5 1.0 CB C:CYS303 3.3 34.6 1.0 CD2 C:HIS320 3.4 28.1 1.0 ND1 C:HIS320 3.6 23.5 1.0 N C:CYS303 3.7 29.6 1.0 CA C:CYS303 4.1 31.9 1.0 CG C:HIS320 4.2 24.1 1.0 CA C:CYS327 4.3 21.8 1.0 CB C:CYS302 4.4 33.7 1.0 CA C:CYS300 4.6 25.5 1.0 C C:CYS302 4.7 29.0 1.0 N C:CYS302 4.8 25.8 1.0 C C:CYS303 4.9 27.6 1.0 CA C:CYS302 4.9 32.9 1.0 N C:ASP304 5.0 27.7 1.0 CB C:PHE329 5.0 24.8 1.0

A.Corti, M.Milani, D.Lecis, P.Seneci, M.De Rosa, E.Mastrangelo, F.Cossu. Structure-Based Design and Molecular Profiling of Smac-Mimetics Selective For Cellular Iaps. Febs J. V. 285 3286 2018.
ISSN: ISSN 1742-4658
PubMed: 30055105
DOI: 10.1111/FEBS.14616