Zinc in PDB 5zj2: Crystal Structure of Ndm-1 in Complex with D-Captopril

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

The structure of Crystal Structure of Ndm-1 in Complex with D-Captopril, PDB code: 5zj2 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)	27.95 / 1.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.698, 59.892, 42.138, 90.00, 97.78, 90.00
R / Rfree (%)	13.6 / 16.2

The binding sites of Zinc atom in the Crystal Structure of Ndm-1 in Complex with D-Captopril (pdb code 5zj2). 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 D-Captopril, PDB code: 5zj2:
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 D-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 D-Captopril within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:16.1 occ:1.00 OD2 A:ASP124 1.9 15.9 1.0 NE2 A:HIS250 2.1 18.4 1.0 SG A:CYS208 2.3 14.6 0.9 S A:MCO303 2.3 17.3 1.0 CG A:ASP124 2.9 14.3 1.0 CE1 A:HIS250 3.0 18.9 1.0 CD2 A:HIS250 3.1 18.9 1.0 OD1 A:ASP124 3.3 15.3 1.0 C1 A:MCO303 3.3 18.2 1.0 CB A:CYS208 3.4 17.4 1.0 ZN A:ZN302 3.7 16.6 1.0 C2 A:MCO303 4.0 20.3 1.0 ND1 A:HIS250 4.1 18.9 1.0 CG A:HIS250 4.2 18.8 1.0 CB A:SER249 4.2 15.5 1.0 CB A:ASP124 4.2 13.7 1.0 C5 A:MCO303 4.4 24.7 1.0 NE2 A:HIS120 4.5 15.2 1.0 CE1 A:HIS120 4.5 15.5 1.0 OG A:SER249 4.5 14.8 1.0 C4 A:MCO303 4.6 22.5 1.0 NE2 A:HIS189 4.6 18.5 1.0 CA A:CYS208 4.7 17.9 1.0 N A:MCO303 4.7 23.4 1.0 CE A:LYS125 4.8 13.6 1.0 CD A:LYS125 4.9 13.4 1.0 CE1 A:HIS189 4.9 19.5 1.0 CG A:LYS125 5.0 13.3 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Ndm-1 in Complex with D-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 D-Captopril within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:16.6 occ:1.00 NE2 A:HIS189 2.0 18.5 1.0 NE2 A:HIS120 2.1 15.2 1.0 ND1 A:HIS122 2.1 17.7 1.0 S A:MCO303 2.3 17.3 1.0 CE1 A:HIS122 3.0 18.1 1.0 CE1 A:HIS120 3.0 15.5 1.0 CE1 A:HIS189 3.0 19.5 1.0 CD2 A:HIS120 3.0 14.8 1.0 CD2 A:HIS189 3.1 18.5 1.0 CG A:HIS122 3.1 16.2 1.0 C1 A:MCO303 3.2 18.2 1.0 CB A:HIS122 3.5 15.4 1.0 ZN A:ZN301 3.7 16.1 1.0 SG A:CYS208 4.0 14.6 0.9 NE2 A:HIS122 4.1 18.6 1.0 CB A:CYS208 4.1 17.4 1.0 ND1 A:HIS120 4.1 15.3 1.0 ND1 A:HIS189 4.1 21.2 1.0 CG A:HIS120 4.1 14.9 1.0 CD2 A:HIS122 4.2 17.3 1.0 OD1 A:ASP124 4.2 15.3 1.0 CG A:HIS189 4.2 19.9 1.0 CG2 A:THR190 4.4 19.6 1.0 O A:HOH500 4.5 40.9 1.0 C2 A:MCO303 4.7 20.3 1.0 O A:HOH487 4.8 48.4 1.0 OD2 A:ASP124 4.8 15.9 1.0 CA A:HIS122 4.9 14.4 1.0 CG A:ASP124 4.9 14.3 1.0

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