Zinc in PDB 7c3u: Crystal Structure of NE0047 (N66A) Mutant in Complex with 8-Azaguanine

The structure of Crystal Structure of NE0047 (N66A) Mutant in Complex with 8-Azaguanine, PDB code: 7c3u was solved by V.Gaded, A.Bitra, J.Singh, R.Anand, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.86 / 1.86
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.186, 73.073, 109.942, 90, 90, 90
R / Rfree (%)	16.5 / 21.7

The binding sites of Zinc atom in the Crystal Structure of NE0047 (N66A) Mutant in Complex with 8-Azaguanine (pdb code 7c3u). 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 NE0047 (N66A) Mutant in Complex with 8-Azaguanine, PDB code: 7c3u:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of NE0047 (N66A) Mutant in Complex with 8-Azaguanine


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 NE0047 (N66A) Mutant in Complex with 8-Azaguanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:14.3 occ:1.00 ND1 A:HIS77 2.1 15.2 1.0 O A:HOH302 2.1 16.0 1.0 SG A:CYS115 2.3 13.5 1.0 SG A:CYS112 2.3 14.6 1.0 CE1 A:HIS77 2.9 14.3 1.0 CG A:HIS77 3.1 13.4 1.0 CB A:CYS115 3.1 13.0 1.0 CB A:CYS112 3.4 16.2 1.0 CB A:HIS77 3.5 12.8 1.0 N3 A:AZG202 3.8 16.6 1.0 N A:CYS112 3.8 14.3 1.0 OE2 A:GLU79 3.8 17.5 1.0 N A:CYS115 3.9 13.9 1.0 CE A:MET114 4.0 15.4 1.0 C4 A:AZG202 4.0 14.9 1.0 NE2 A:HIS77 4.1 15.4 1.0 OE1 A:GLU79 4.1 14.3 1.0 CA A:CYS112 4.1 15.3 1.0 CA A:CYS115 4.1 13.2 1.0 CD2 A:HIS77 4.2 15.6 1.0 N9 A:AZG202 4.2 16.0 1.0 CD A:GLU79 4.2 18.2 1.0 C2 A:AZG202 4.5 15.5 1.0 C A:CYS112 4.6 17.2 1.0 O A:CYS112 4.6 15.2 1.0 CB A:MET114 4.6 12.9 1.0 C5 A:AZG202 4.8 15.8 1.0 N2 A:AZG202 4.9 17.7 1.0 C A:MET114 5.0 13.9 1.0 C A:PRO111 5.0 16.8 1.0 NE1 B:TRP121 5.0 19.6 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of NE0047 (N66A) Mutant in Complex with 8-Azaguanine


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 NE0047 (N66A) Mutant in Complex with 8-Azaguanine within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:14.0 occ:1.00 ND1 B:HIS77 2.0 11.6 1.0 O B:HOH301 2.1 11.5 1.0 SG B:CYS115 2.3 14.1 1.0 SG B:CYS112 2.3 14.5 1.0 CE1 B:HIS77 3.0 12.6 1.0 CG B:HIS77 3.1 11.6 1.0 CB B:CYS115 3.1 14.2 1.0 CB B:CYS112 3.4 15.8 1.0 CB B:HIS77 3.4 12.1 1.0 N3 B:AZG202 3.8 17.2 1.0 OE2 B:GLU79 3.8 16.3 1.0 N B:CYS112 3.8 14.7 1.0 N B:CYS115 3.9 14.3 1.0 C4 B:AZG202 4.0 18.3 1.0 CE B:MET114 4.0 14.7 1.0 OE1 B:GLU79 4.0 16.1 1.0 CA B:CYS115 4.1 13.4 1.0 N9 B:AZG202 4.1 19.2 1.0 CA B:CYS112 4.1 14.2 1.0 NE2 B:HIS77 4.1 12.0 1.0 CD B:GLU79 4.2 15.1 1.0 CD2 B:HIS77 4.2 12.8 1.0 C2 B:AZG202 4.4 16.8 1.0 C B:CYS112 4.6 13.1 1.0 O B:CYS112 4.7 14.0 1.0 CB B:MET114 4.8 11.6 1.0 N2 B:AZG202 4.8 18.0 1.0 C5 B:AZG202 4.8 16.0 1.0 C B:PRO111 4.9 17.0 1.0 N8 B:AZG202 5.0 17.6 1.0 C B:MET114 5.0 13.4 1.0 CA B:HIS77 5.0 12.3 1.0

J.Singh, V.Gaded, A.Bitra, R.Anand. Structure Guided Mutagenesis Reveals the Substrate Determinants of Guanine Deaminase J.Struct.Biol. 2021.
ISSN: ESSN 1095-8657
DOI: 10.1016/J.JSB.2021.107747