Zinc in PDB 6gjw: Structure of Xiap-BIR1 Domain in Complex with An NF023 Analog

All present enzymatic activity of Structure of Xiap-BIR1 Domain in Complex with An NF023 Analog:
2.3.2.27;

The structure of Structure of Xiap-BIR1 Domain in Complex with An NF023 Analog, PDB code: 6gjw was solved by L.Sorrentino, F.Cossu, B.Malkoc, M.Zaffaroni, M.Milani, E.Mastrangelo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.33 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	36.500, 75.800, 70.000, 90.00, 90.00, 90.00
R / Rfree (%)	23.9 / 28.9

The binding sites of Zinc atom in the Structure of Xiap-BIR1 Domain in Complex with An NF023 Analog (pdb code 6gjw). 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 Domain in Complex with An NF023 Analog, PDB code: 6gjw:
Jump to Zinc binding site number: 1; 2; 3; 4;

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


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 Domain in Complex with An NF023 Analog within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn101 b:21.3 occ:1.00 NE2 A:HIS83 2.0 18.2 1.0 SG A:CYS90 2.2 24.2 1.0 SG A:CYS66 2.4 21.9 1.0 SG A:CYS63 2.4 24.9 1.0 CE1 A:HIS83 2.9 17.2 1.0 CB A:CYS63 3.0 23.4 1.0 CD2 A:HIS83 3.1 19.2 1.0 CB A:CYS90 3.1 25.9 1.0 CB A:CYS66 3.2 23.5 1.0 N A:CYS66 3.8 25.6 1.0 ND1 A:HIS83 4.0 15.8 1.0 CA A:CYS66 4.1 25.1 1.0 CG A:HIS83 4.2 18.8 1.0 CA A:CYS90 4.4 24.9 1.0 CA A:CYS63 4.5 21.6 1.0 CB A:SER87 4.6 20.6 1.0 CG1 A:ILE93 4.7 27.4 1.0 CB A:SER65 4.8 26.7 1.0 C A:CYS66 4.8 26.5 1.0 C A:SER65 4.8 26.1 1.0 CB A:PHE92 4.8 21.8 1.0 OG A:SER87 4.8 24.4 1.0 N A:SER65 5.0 23.0 1.0

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


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 Domain in Complex with An NF023 Analog within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn101 b:22.8 occ:1.00 NE2 B:HIS83 2.1 21.5 1.0 SG B:CYS90 2.2 27.8 1.0 SG B:CYS66 2.3 20.1 1.0 SG B:CYS63 2.4 23.6 1.0 CE1 B:HIS83 3.0 21.3 1.0 CB B:CYS63 3.0 21.1 1.0 CB B:CYS90 3.1 30.3 1.0 CB B:CYS66 3.2 22.4 1.0 CD2 B:HIS83 3.2 19.9 1.0 N B:CYS66 3.6 24.4 1.0 CA B:CYS66 4.0 23.8 1.0 ND1 B:HIS83 4.2 20.0 1.0 CG B:HIS83 4.3 19.9 1.0 CA B:CYS90 4.5 31.0 1.0 CB B:SER87 4.5 25.3 1.0 CA B:CYS63 4.5 22.6 1.0 CB B:SER65 4.6 29.8 1.0 C B:SER65 4.7 27.2 1.0 OG B:SER87 4.7 21.1 1.0 C B:CYS66 4.8 26.0 1.0 N B:HIS67 4.9 26.4 1.0 N B:SER65 5.0 30.2 1.0

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


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 Domain in Complex with An NF023 Analog within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn101 b:21.9 occ:1.00 NE2 C:HIS83 1.9 19.7 1.0 SG C:CYS90 2.3 24.2 1.0 SG C:CYS63 2.3 25.6 1.0 SG C:CYS66 2.4 23.6 1.0 CE1 C:HIS83 2.7 18.9 1.0 CB C:CYS63 3.0 24.0 1.0 CD2 C:HIS83 3.1 20.2 1.0 CB C:CYS66 3.1 21.7 1.0 CB C:CYS90 3.1 24.9 1.0 N C:CYS66 3.7 23.6 1.0 ND1 C:HIS83 3.9 20.1 1.0 CA C:CYS66 4.0 24.0 1.0 CG C:HIS83 4.1 21.9 1.0 CA C:CYS90 4.5 25.1 1.0 CA C:CYS63 4.5 21.9 1.0 CB C:SER87 4.6 27.1 1.0 CB C:SER65 4.7 23.2 1.0 CB C:PHE92 4.8 24.9 1.0 C C:CYS66 4.8 25.6 1.0 C C:SER65 4.8 28.6 1.0 OG C:SER87 4.8 26.2 1.0

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


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 Domain in Complex with An NF023 Analog within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn101 b:24.1 occ:1.00 NE2 D:HIS83 2.0 16.1 1.0 SG D:CYS90 2.3 25.9 1.0 SG D:CYS63 2.3 26.9 1.0 SG D:CYS66 2.3 22.9 1.0 CE1 D:HIS83 2.8 18.3 1.0 CB D:CYS63 3.0 26.4 1.0 CB D:CYS66 3.2 26.6 1.0 CD2 D:HIS83 3.2 18.6 1.0 CB D:CYS90 3.2 33.1 1.0 N D:CYS66 3.7 24.9 1.0 CA D:CYS66 4.0 26.1 1.0 ND1 D:HIS83 4.0 17.9 1.0 CG D:HIS83 4.2 19.7 1.0 CB D:SER87 4.5 26.9 1.0 CA D:CYS63 4.5 26.7 1.0 CA D:CYS90 4.6 32.5 1.0 CB D:SER65 4.7 26.8 1.0 CB D:PHE92 4.7 26.4 1.0 OG D:SER87 4.7 25.2 1.0 C D:SER65 4.8 27.1 1.0 C D:CYS66 4.9 26.6 1.0 N D:HIS67 5.0 26.7 1.0

L.Sorrentino, F.Cossu, B.Malkoc, M.Zaffaroni, M.Milani, E.Mastrangelo. Structure of Xiap-BIR1 Domain in Complex with An NF023 Analog To Be Published.