Zinc in PDB 5zj7: Crystal Structure of Ndm-1 in Complex with D-Captopril Derivative CY22

All present enzymatic activity of Crystal Structure of Ndm-1 in Complex with D-Captopril Derivative CY22:
3.5.2.6;

The structure of Crystal Structure of Ndm-1 in Complex with D-Captopril Derivative CY22, PDB code: 5zj7 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)	41.59 / 0.96
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.442, 59.964, 41.998, 90.00, 98.00, 90.00
R / Rfree (%)	11.5 / 13.1

The binding sites of Zinc atom in the Crystal Structure of Ndm-1 in Complex with D-Captopril Derivative CY22 (pdb code 5zj7). 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 Derivative CY22, PDB code: 5zj7:
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 Derivative CY22


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 Derivative CY22 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn307 b:15.9 occ:1.00 ND1 A:HIS122 2.0 16.4 1.0 NE2 A:HIS189 2.0 16.3 1.0 NE2 A:HIS120 2.0 15.9 1.0 SAA A:9DU301 2.3 16.9 1.0 CE1 A:HIS122 3.0 17.1 1.0 CE1 A:HIS189 3.0 17.4 1.0 CE1 A:HIS120 3.0 16.0 1.0 CD2 A:HIS120 3.0 15.3 1.0 CG A:HIS122 3.1 15.9 1.0 CD2 A:HIS189 3.1 16.2 1.0 CAB A:9DU301 3.3 18.2 1.0 CB A:HIS122 3.4 15.3 1.0 ZN A:ZN308 3.7 16.6 1.0 SG A:CYS208 4.0 16.4 1.0 OD1 A:ASP124 4.1 16.0 1.0 NE2 A:HIS122 4.1 17.6 1.0 ND1 A:HIS120 4.1 16.2 1.0 ND1 A:HIS189 4.1 17.8 1.0 CG A:HIS120 4.2 15.1 1.0 CD2 A:HIS122 4.2 16.9 1.0 CB A:CYS208 4.2 16.5 1.0 CG A:HIS189 4.2 16.5 1.0 CG2 A:THR190 4.5 16.8 1.0 CAC A:9DU301 4.7 21.7 1.0 OD2 A:ASP124 4.8 16.4 1.0 CA A:HIS122 4.8 14.9 1.0 CG A:ASP124 4.9 15.3 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Ndm-1 in Complex with D-Captopril Derivative CY22


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 Derivative CY22 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn308 b:16.6 occ:1.00 OD2 A:ASP124 1.9 16.4 1.0 NE2 A:HIS250 2.1 16.8 1.0 SG A:CYS208 2.3 16.4 1.0 SAA A:9DU301 2.3 16.9 1.0 CG A:ASP124 2.9 15.3 1.0 CE1 A:HIS250 3.0 16.6 1.0 CD2 A:HIS250 3.1 17.4 1.0 OD1 A:ASP124 3.3 16.0 1.0 CAB A:9DU301 3.3 18.2 1.0 CB A:CYS208 3.4 16.5 1.0 CAF A:9DU301 3.6 22.4 1.0 ZN A:ZN307 3.7 15.9 1.0 CAC A:9DU301 4.0 21.7 1.0 ND1 A:HIS250 4.1 17.2 1.0 CG A:HIS250 4.2 16.9 1.0 CB A:ASP124 4.2 14.9 1.0 CB A:SER249 4.3 16.3 1.0 CE1 A:HIS120 4.5 16.0 1.0 NE2 A:HIS189 4.5 16.3 1.0 NE2 A:HIS120 4.5 15.9 1.0 OG A:SER249 4.6 16.7 1.0 CA A:CYS208 4.6 16.1 1.0 CE1 A:HIS189 4.7 17.4 1.0 CE A:LYS125 4.8 16.3 1.0 CD A:LYS125 5.0 17.0 1.0

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