Zinc in PDB 4mtz: Structure of Xiap-BIR1 in Complex with NF023

The structure of Structure of Xiap-BIR1 in Complex with NF023, PDB code: 4mtz was solved by F.Cossu, M.Milani, S.Grassi, E.Mastrangelo, M.Bolognesi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	71.19 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	36.854, 76.209, 71.191, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 24.2

The binding sites of Zinc atom in the Structure of Xiap-BIR1 in Complex with NF023 (pdb code 4mtz). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Structure of Xiap-BIR1 in Complex with NF023, PDB code: 4mtz:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Structure of Xiap-BIR1 in Complex with NF023


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Xiap-BIR1 in Complex with NF023 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn200 b:27.4 occ:1.00 SG A:CYS66 2.2 14.9 0.5 NE2 A:HIS83 2.2 23.4 1.0 SG A:CYS63 2.2 30.3 1.0 SG A:CYS90 2.4 32.6 1.0 SG A:CYS66 2.4 51.0 0.5 CB A:CYS63 3.0 26.8 1.0 CE1 A:HIS83 3.1 25.5 1.0 CB A:CYS66 3.2 36.8 0.5 CD2 A:HIS83 3.3 26.2 1.0 CB A:CYS66 3.3 22.1 0.5 CB A:CYS90 3.3 36.0 1.0 N A:CYS66 3.8 36.1 1.0 CA A:CYS66 4.1 32.8 0.5 CA A:CYS66 4.1 25.3 0.5 ND1 A:HIS83 4.3 29.3 1.0 CG A:HIS83 4.4 25.5 1.0 CA A:CYS90 4.5 31.4 1.0 CA A:CYS63 4.5 34.8 1.0 CB A:SER87 4.6 27.3 1.0 CB A:SER65 4.6 37.4 1.0 C A:CYS66 4.9 27.2 1.0 C A:SER65 4.9 31.0 1.0 OG A:SER87 4.9 29.9 1.0 CB A:PHE92 4.9 29.5 1.0

Zinc binding site 2 out of 4 in the Structure of Xiap-BIR1 in Complex with NF023


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Xiap-BIR1 in Complex with NF023 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1101 b:27.5 occ:1.00 SG B:CYS1066 2.1 25.9 1.0 NE2 B:HIS1083 2.1 22.7 1.0 SG B:CYS1090 2.2 34.7 1.0 SG B:CYS1063 2.3 28.1 1.0 CE1 B:HIS1083 2.9 31.4 1.0 CB B:CYS1063 3.1 31.9 1.0 CB B:CYS1066 3.1 27.2 1.0 CB B:CYS1090 3.2 36.7 1.0 CD2 B:HIS1083 3.3 28.4 1.0 N B:CYS1066 3.5 31.9 1.0 CA B:CYS1066 3.9 28.0 1.0 ND1 B:HIS1083 4.1 27.8 1.0 CG B:HIS1083 4.3 27.1 1.0 CB B:SER1087 4.5 34.8 1.0 CA B:CYS1063 4.5 28.1 1.0 CA B:CYS1090 4.6 33.7 1.0 CB B:SER1065 4.6 36.6 1.0 C B:CYS1066 4.7 31.0 1.0 CB B:PHE1092 4.7 33.6 1.0 C B:SER1065 4.7 32.5 1.0 OG B:SER1087 4.7 35.2 1.0 N B:HIS1067 4.8 40.0 1.0

Zinc binding site 3 out of 4 in the Structure of Xiap-BIR1 in Complex with NF023


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of Xiap-BIR1 in Complex with NF023 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn3101 b:30.5 occ:1.00 NE2 C:HIS3083 2.1 19.4 1.0 SG C:CYS3066 2.3 31.9 1.0 SG C:CYS3090 2.3 37.9 1.0 SG C:CYS3063 2.4 34.1 1.0 CE1 C:HIS3083 3.0 28.6 1.0 CB C:CYS3063 3.0 38.4 1.0 CB C:CYS3066 3.1 32.6 1.0 CB C:CYS3090 3.2 42.2 1.0 CD2 C:HIS3083 3.2 26.7 1.0 N C:CYS3066 3.6 36.5 1.0 CA C:CYS3066 3.9 33.5 1.0 ND1 C:HIS3083 4.1 29.5 1.0 CG C:HIS3083 4.3 24.2 1.0 CA C:CYS3063 4.6 37.5 1.0 CB C:SER3087 4.6 29.8 1.0 CA C:CYS3090 4.6 41.4 1.0 CB C:PHE3092 4.6 33.3 1.0 CB C:SER3065 4.7 38.3 1.0 C C:SER3065 4.7 36.2 1.0 CG1 C:ILE3093 4.8 47.9 1.0 OG C:SER3087 4.8 32.4 1.0 C C:CYS3066 4.8 32.6 1.0 N C:SER3065 5.0 35.9 1.0

Zinc binding site 4 out of 4 in the Structure of Xiap-BIR1 in Complex with NF023


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structure of Xiap-BIR1 in Complex with NF023 within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn3101 b:29.9 occ:1.00 NE2 D:HIS3083 2.1 27.6 1.0 SG D:CYS3066 2.2 28.1 1.0 SG D:CYS3063 2.3 29.3 1.0 SG D:CYS3090 2.4 36.6 1.0 CB D:CYS3063 3.0 29.6 1.0 CE1 D:HIS3083 3.1 30.3 1.0 CD2 D:HIS3083 3.2 25.1 1.0 CB D:CYS3066 3.2 33.3 1.0 CB D:CYS3090 3.4 31.3 1.0 N D:CYS3066 3.6 34.3 1.0 CA D:CYS3066 4.0 27.9 1.0 ND1 D:HIS3083 4.2 30.6 1.0 CG D:HIS3083 4.3 27.9 1.0 CA D:CYS3063 4.5 26.7 1.0 CB D:SER3087 4.5 30.1 1.0 CB D:SER3065 4.6 39.6 1.0 CA D:CYS3090 4.7 37.5 1.0 OG D:SER3087 4.7 26.4 1.0 C D:SER3065 4.7 30.8 1.0 C D:CYS3066 4.8 32.4 1.0 CG1 D:ILE3093 4.9 52.2 1.0

F.Cossu, M.Milani, S.Grassi, F.Malvezzi, A.Corti, M.Bolognesi, E.Mastrangelo. Protein-Protein Interactions in Nfkb Pathway: Novel Tools to Promote Apoptosis in Cancer Therapy To Be Published.