Zinc in PDB 7c3t: Crystal Structure of NE0047 (N66Q) Mutant in Complex with 8-Azaguanine

The structure of Crystal Structure of NE0047 (N66Q) Mutant in Complex with 8-Azaguanine, PDB code: 7c3t 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)	61.30 / 2.07
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.168, 73.827, 110.263, 90, 90, 90
R / Rfree (%)	17.9 / 24.2

The binding sites of Zinc atom in the Crystal Structure of NE0047 (N66Q) Mutant in Complex with 8-Azaguanine (pdb code 7c3t). 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 (N66Q) Mutant in Complex with 8-Azaguanine, PDB code: 7c3t:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of NE0047 (N66Q) 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 (N66Q) Mutant in Complex with 8-Azaguanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:20.8 occ:1.00 O A:HOH301 2.0 17.6 1.0 ND1 A:HIS77 2.1 24.0 1.0 SG A:CYS115 2.2 19.9 1.0 SG A:CYS112 2.3 19.1 1.0 CE1 A:HIS77 3.0 21.9 1.0 CG A:HIS77 3.1 20.4 1.0 CB A:CYS115 3.2 18.6 1.0 CB A:CYS112 3.5 21.5 1.0 CB A:HIS77 3.5 17.5 1.0 N A:CYS112 3.8 19.0 1.0 OE2 A:GLU79 3.8 20.6 1.0 CE A:MET114 3.8 21.8 1.0 N A:CYS115 3.9 21.5 1.0 N3 A:AZG202 4.0 36.2 1.0 C4 A:AZG202 4.0 36.2 1.0 NE2 A:HIS77 4.1 23.5 1.0 N9 A:AZG202 4.1 37.4 1.0 CA A:CYS112 4.1 19.8 1.0 CA A:CYS115 4.2 19.6 1.0 OE1 A:GLU79 4.2 19.8 1.0 CD2 A:HIS77 4.2 21.6 1.0 CD A:GLU79 4.2 24.2 1.0 CB A:MET114 4.6 18.2 1.0 C2 A:AZG202 4.6 36.3 1.0 C A:CYS112 4.6 20.7 1.0 C5 A:AZG202 4.7 35.1 0.6 O A:CYS112 4.7 18.1 1.0 N8 A:AZG202 4.9 31.9 1.0 C A:PRO111 5.0 20.1 1.0 C A:MET114 5.0 21.4 1.0 NE1 B:TRP121 5.0 23.2 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of NE0047 (N66Q) 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 (N66Q) Mutant in Complex with 8-Azaguanine within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:19.6 occ:1.00 O B:HOH303 2.0 22.9 1.0 ND1 B:HIS77 2.0 20.1 1.0 SG B:CYS115 2.2 20.3 1.0 SG B:CYS112 2.3 17.5 1.0 CE1 B:HIS77 3.0 18.3 1.0 CG B:HIS77 3.0 19.2 1.0 CB B:CYS115 3.1 21.6 1.0 CB B:HIS77 3.4 18.3 1.0 CB B:CYS112 3.4 19.1 1.0 N B:CYS112 3.9 19.4 1.0 N3 B:AZG202 3.9 35.1 1.0 OE2 B:GLU79 3.9 22.3 1.0 C4 B:AZG202 3.9 36.0 1.0 N B:CYS115 3.9 19.7 1.0 OE1 B:GLU79 4.1 19.2 1.0 NE2 B:HIS77 4.1 18.0 1.0 CA B:CYS115 4.1 21.6 1.0 CE B:MET114 4.1 23.7 1.0 N9 B:AZG202 4.1 40.9 1.0 CD2 B:HIS77 4.1 18.6 1.0 CA B:CYS112 4.2 17.7 1.0 CD B:GLU79 4.2 19.1 1.0 C2 B:AZG202 4.4 36.3 1.0 C5 B:AZG202 4.6 35.2 1.0 O B:CYS112 4.7 19.2 1.0 C B:CYS112 4.7 19.7 1.0 CB B:MET114 4.7 19.7 1.0 N8 B:AZG202 4.8 30.9 1.0 CA B:HIS77 4.9 17.9 1.0 C B:PRO111 5.0 20.4 1.0 N7 B:AZG202 5.0 31.3 1.0 N1 B:AZG202 5.0 35.4 1.0 C B:MET114 5.0 19.2 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