Zinc in PDB 3isi: Crystal Structure of SCO3058 with Bound Inhibitor L-Ala-L-Asp Phosphinodipeptide

The structure of Crystal Structure of SCO3058 with Bound Inhibitor L-Ala-L-Asp Phosphinodipeptide, PDB code: 3isi was solved by T.T.Nguyen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	83.62 / 2.20
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	96.690, 96.690, 104.600, 90.00, 90.00, 120.00
R / Rfree (%)	17.5 / 22.9

The binding sites of Zinc atom in the Crystal Structure of SCO3058 with Bound Inhibitor L-Ala-L-Asp Phosphinodipeptide (pdb code 3isi). 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 SCO3058 with Bound Inhibitor L-Ala-L-Asp Phosphinodipeptide, PDB code: 3isi:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of SCO3058 with Bound Inhibitor L-Ala-L-Asp Phosphinodipeptide


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 SCO3058 with Bound Inhibitor L-Ala-L-Asp Phosphinodipeptide within 5.0Å range: probe atom residue distance (Å) B Occ X:Zn3000 b:26.3 occ:1.00 NE2 X:HIS20 2.1 17.9 1.0 OE1 X:GLU123 2.1 21.0 1.0 OD1 X:ASP22 2.2 27.0 1.0 O X:HOH1318 2.3 27.3 1.0 N1 X:B882000 2.8 45.2 1.0 CG X:ASP22 3.0 24.4 1.0 CD X:GLU123 3.0 21.0 1.0 CE1 X:HIS20 3.0 17.5 1.0 CD2 X:HIS20 3.1 15.1 1.0 OD2 X:ASP22 3.1 23.6 1.0 OE2 X:GLU123 3.1 14.8 1.0 ZN X:ZN3001 3.3 24.0 1.0 C9 X:B882000 3.5 44.1 1.0 O5 X:B882000 3.6 43.1 1.0 OD1 X:ASP320 3.7 25.0 1.0 OG X:SER66 4.0 22.9 1.0 NE2 X:HIS212 4.1 14.7 1.0 ND1 X:HIS20 4.2 18.8 1.0 CG X:HIS20 4.2 17.8 1.0 P2 X:B882000 4.2 47.3 1.0 CB X:ASP22 4.4 22.1 1.0 CG X:GLU123 4.4 19.3 1.0 CB X:TYR68 4.5 21.7 1.0 CB X:SER66 4.5 21.5 1.0 CE1 X:HIS212 4.6 12.4 1.0 CG X:TYR68 4.8 18.7 1.0 CB X:GLU123 4.8 18.1 1.0 CG X:ASP320 4.8 26.4 1.0 CD2 X:HIS212 4.8 12.4 1.0 O1 X:B882000 4.9 22.4 1.0 C12 X:B882000 4.9 47.5 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of SCO3058 with Bound Inhibitor L-Ala-L-Asp Phosphinodipeptide


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 SCO3058 with Bound Inhibitor L-Ala-L-Asp Phosphinodipeptide within 5.0Å range: probe atom residue distance (Å) B Occ X:Zn3001 b:24.0 occ:1.00 O X:HOH1318 1.9 27.3 1.0 NE2 X:HIS191 2.1 18.7 1.0 NE2 X:HIS212 2.2 14.7 1.0 OE2 X:GLU123 2.2 14.8 1.0 O5 X:B882000 2.2 43.1 1.0 O1 X:B882000 2.4 22.4 1.0 CD2 X:HIS191 3.0 15.3 1.0 CE1 X:HIS212 3.1 12.4 1.0 C8 X:B882000 3.2 32.3 1.0 CE1 X:HIS191 3.2 14.5 1.0 CD2 X:HIS212 3.2 12.4 1.0 CD X:GLU123 3.3 21.0 1.0 ZN X:ZN3000 3.3 26.3 1.0 P2 X:B882000 3.6 47.3 1.0 O6 X:B882000 3.7 31.1 1.0 OE1 X:GLU123 3.7 21.0 1.0 NE2 X:HIS20 4.0 17.9 1.0 NH1 X:ARG223 4.1 21.8 1.0 C7 X:B882000 4.1 37.2 1.0 CG X:HIS191 4.2 19.2 1.0 C6 X:B882000 4.2 41.3 1.0 ND1 X:HIS191 4.2 18.2 1.0 ND1 X:HIS212 4.3 14.4 1.0 NE2 X:HIS150 4.3 22.4 1.0 CG X:HIS212 4.3 16.6 1.0 CD2 X:HIS150 4.3 23.0 1.0 OD1 X:ASP320 4.3 25.0 1.0 N1 X:B882000 4.4 45.2 1.0 C9 X:B882000 4.4 44.1 1.0 OD2 X:ASP320 4.5 29.3 1.0 CG X:GLU123 4.5 19.3 1.0 CD2 X:HIS20 4.6 15.1 1.0 CE1 X:HIS20 4.6 17.5 1.0 O4 X:B882000 4.7 45.1 1.0 CG X:ASP320 4.7 26.4 1.0 CZ X:ARG223 4.9 20.8 1.0

T.T.Nguyen, J.A.Cummings, C.-L.Tsai, D.P.Barondeau, F.M.Raushel. Crystal Structure of SCO3058 with Bound Inhibitor L-Ala-L-Asp Phosphinodipeptide To Be Published.