Zinc in PDB 7nk0: Structure of the BIR1 Domain of CIAP2

All present enzymatic activity of Structure of the BIR1 Domain of CIAP2:
2.3.2.27;

The structure of Structure of the BIR1 Domain of CIAP2, PDB code: 7nk0 was solved by F.Cossu, M.Milani, E.Mastrangelo, D.Mirdita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.72 / 3.30
Space group	P 64
Cell size a, b, c (Å), α, β, γ (°)	93.43, 93.43, 42.43, 90, 90, 120
R / Rfree (%)	29.5 / 35.6

The binding sites of Zinc atom in the Structure of the BIR1 Domain of CIAP2 (pdb code 7nk0). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of the BIR1 Domain of CIAP2, PDB code: 7nk0:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of the BIR1 Domain of CIAP2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of the BIR1 Domain of CIAP2 within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn401 b:121.9 occ:1.00 SG D:CYS66 1.7 126.9 1.0 NE2 D:HIS86 2.1 126.2 1.0 SG D:CYS69 2.2 124.5 1.0 CE1 D:HIS86 2.3 125.5 1.0 SG D:CYS93 2.4 130.5 1.0 CB D:CYS66 2.9 124.6 1.0 CB D:CYS69 3.0 127.2 1.0 CB D:CYS93 3.2 130.1 1.0 N D:CYS69 3.4 130.0 1.0 CD2 D:HIS86 3.5 125.4 1.0 ND1 D:HIS86 3.7 124.2 1.0 CA D:CYS69 3.8 127.8 1.0 CG D:HIS86 4.2 123.5 1.0 CA D:CYS66 4.3 124.9 1.0 N D:GLY70 4.3 125.6 1.0 C D:CYS69 4.5 126.0 1.0 C D:CYS68 4.5 132.0 1.0 CB D:CYS68 4.6 133.0 1.0 CA D:CYS93 4.6 130.6 1.0 N D:CYS68 4.7 132.3 1.0 CE1 D:PHE55 4.9 122.5 1.0 CA D:CYS68 4.9 132.9 1.0 C D:CYS66 4.9 124.7 1.0

Zinc binding site 2 out of 2 in the Structure of the BIR1 Domain of CIAP2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of the BIR1 Domain of CIAP2 within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn401 b:123.8 occ:1.00 CB E:CYS69 2.1 125.5 1.0 SG E:CYS93 2.2 129.6 1.0 NE2 E:HIS86 2.2 127.1 1.0 SG E:CYS69 2.3 123.6 1.0 SG E:CYS66 2.3 130.5 1.0 CE1 E:HIS86 2.5 128.2 1.0 CB E:CYS93 2.9 127.7 1.0 CB E:CYS66 3.3 129.5 1.0 CA E:CYS69 3.3 126.9 1.0 N E:CYS69 3.4 130.0 1.0 CD2 E:HIS86 3.6 127.1 1.0 ND1 E:HIS86 3.8 127.8 1.0 C E:CYS68 4.1 131.9 1.0 CA E:CYS93 4.3 127.1 1.0 CG E:HIS86 4.3 127.5 1.0 C E:CYS69 4.3 124.1 1.0 O E:CYS68 4.5 132.0 1.0 CA E:CYS66 4.7 131.2 1.0 CD2 E:TYR90 4.7 122.8 1.0 N E:CYS68 4.8 134.8 1.0 N E:GLY70 4.8 119.1 1.0 CA E:CYS68 4.9 134.3 1.0 O E:TYR90 5.0 123.0 1.0

F.Cossu, S.Camelliti, D.Lecis, L.Sorrentino, M.T.Majorini, M.Milani, E.Mastrangelo. Structure-Based Identification of A New Iap-Targeting Compound That Induces Cancer Cell Death Inducing Nf-Kappa B Pathway. Comput Struct Biotechnol J V. 19 6366 2021.
ISSN: ESSN 2001-0370
PubMed: 34938412
DOI: 10.1016/J.CSBJ.2021.11.034