Zinc in PDB 5zio: Crystal Structure of Ndm-1 in Complex with L-Captopril

All present enzymatic activity of Crystal Structure of Ndm-1 in Complex with L-Captopril:
3.5.2.6;

The structure of Crystal Structure of Ndm-1 in Complex with L-Captopril, PDB code: 5zio was solved by H.Zhang, Q.Hao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.13 / 0.98
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.506, 59.948, 41.904, 90.00, 98.06, 90.00
R / Rfree (%)	12.4 / 13.7

The binding sites of Zinc atom in the Crystal Structure of Ndm-1 in Complex with L-Captopril (pdb code 5zio). 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 Ndm-1 in Complex with L-Captopril, PDB code: 5zio:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Ndm-1 in Complex with L-Captopril


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 Ndm-1 in Complex with L-Captopril within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:8.9 occ:1.00 ND1 A:HIS95 2.1 9.1 1.0 NE2 A:HIS93 2.1 8.3 1.0 NE2 A:HIS162 2.1 9.7 1.0 S A:X8Z303 2.3 10.3 1.0 CE1 A:HIS95 3.0 9.3 1.0 CE1 A:HIS93 3.0 8.4 1.0 CE1 A:HIS162 3.0 10.6 1.0 CD2 A:HIS93 3.1 8.0 1.0 CG A:HIS95 3.1 8.5 1.0 CD2 A:HIS162 3.1 9.7 1.0 C1 A:X8Z303 3.3 12.3 1.0 CB A:HIS95 3.4 8.2 1.0 ZN A:ZN302 3.8 9.0 1.0 SG A:CYS181 4.1 8.2 1.0 NE2 A:HIS95 4.1 9.7 1.0 ND1 A:HIS93 4.1 8.1 1.0 CB A:CYS181 4.1 8.6 1.0 ND1 A:HIS162 4.2 11.2 1.0 CD2 A:HIS95 4.2 9.1 1.0 CG A:HIS93 4.2 7.4 1.0 OD1 A:ASP97 4.2 9.4 1.0 CG A:HIS162 4.2 10.2 1.0 CG2 A:THR163 4.4 9.7 1.0 C2 A:X8Z303 4.7 17.4 1.0 CA A:HIS95 4.9 7.8 1.0 OD2 A:ASP97 4.9 9.6 1.0 O1 A:X8Z303 4.9 22.6 1.0 O A:HOH405 4.9 33.5 1.0 CG A:ASP97 5.0 7.9 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Ndm-1 in Complex with L-Captopril


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 Ndm-1 in Complex with L-Captopril within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:9.0 occ:1.00 OD2 A:ASP97 2.0 9.6 1.0 NE2 A:HIS223 2.1 9.3 1.0 SG A:CYS181 2.3 8.2 1.0 S A:X8Z303 2.3 10.3 1.0 CG A:ASP97 2.9 7.9 1.0 CE1 A:HIS223 3.0 9.5 1.0 CD2 A:HIS223 3.1 9.6 1.0 OD1 A:ASP97 3.2 9.4 1.0 C1 A:X8Z303 3.4 12.3 1.0 CB A:CYS181 3.4 8.6 1.0 ZN A:ZN301 3.8 8.9 1.0 C2 A:X8Z303 3.9 17.4 1.0 ND1 A:HIS223 4.1 9.5 1.0 CB A:SER222 4.2 8.2 1.0 CG A:HIS223 4.2 9.2 1.0 CB A:ASP97 4.2 7.5 1.0 C4 A:X8Z303 4.4 21.5 1.0 OG A:SER222 4.5 8.0 1.0 CE1 A:HIS93 4.5 8.4 1.0 C5 A:X8Z303 4.6 28.3 1.0 NE2 A:HIS93 4.6 8.3 1.0 NE2 A:HIS162 4.6 9.7 1.0 N A:X8Z303 4.6 27.1 1.0 CA A:CYS181 4.6 8.6 1.0 CE A:LYS98 4.7 7.4 1.0 CE1 A:HIS162 4.8 10.6 1.0 CD A:LYS98 4.9 7.5 1.0 CG A:LYS98 5.0 7.3 1.0 OG A:SER48 5.0 8.3 1.0

H.Zhang, Q.Hao. Crystal Structure of Ndm-1 To Be Published.