Zinc in PDB 7c3s: Crystal Structure of NE0047 (E143D) Mutant in Complex with 8- Azaguanine

The structure of Crystal Structure of NE0047 (E143D) Mutant in Complex with 8- Azaguanine, PDB code: 7c3s 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)	36.33 / 1.66
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.491, 73.629, 109.997, 90, 90, 90
R / Rfree (%)	16 / 19.3

The binding sites of Zinc atom in the Crystal Structure of NE0047 (E143D) Mutant in Complex with 8- Azaguanine (pdb code 7c3s). 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 (E143D) Mutant in Complex with 8- Azaguanine, PDB code: 7c3s:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of NE0047 (E143D) 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 (E143D) Mutant in Complex with 8- Azaguanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:14.2 occ:1.00 O A:HOH317 2.0 14.2 1.0 ND1 A:HIS77 2.0 15.1 1.0 SG A:CYS115 2.3 13.2 1.0 SG A:CYS112 2.3 13.8 1.0 CE1 A:HIS77 2.9 19.1 1.0 CG A:HIS77 3.1 14.6 1.0 CB A:CYS115 3.1 14.1 1.0 CB A:CYS112 3.5 13.9 1.0 CB A:HIS77 3.5 13.0 1.0 OE2 A:GLU79 3.8 18.0 1.0 N A:CYS112 3.9 14.7 1.0 N A:CYS115 3.9 13.8 1.0 CE A:MET114 4.0 16.2 1.0 OE1 A:GLU79 4.1 16.4 1.0 NE2 A:HIS77 4.1 17.6 1.0 CA A:CYS115 4.1 13.1 1.0 CD A:GLU79 4.2 15.7 1.0 CA A:CYS112 4.2 14.8 1.0 CD2 A:HIS77 4.2 18.4 1.0 C A:CYS112 4.7 15.2 1.0 CB A:MET114 4.7 13.7 1.0 O A:CYS112 4.8 14.7 1.0 NE1 B:TRP121 4.9 20.5 1.0 C A:PRO111 5.0 16.4 1.0 C A:MET114 5.0 13.5 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of NE0047 (E143D) 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 (E143D) Mutant in Complex with 8- Azaguanine within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:15.0 occ:1.00 ND1 B:HIS77 2.0 13.8 1.0 O B:HOH310 2.1 14.5 1.0 SG B:CYS115 2.3 14.6 1.0 SG B:CYS112 2.3 14.4 1.0 CE1 B:HIS77 2.9 16.7 1.0 CG B:HIS77 3.1 14.0 1.0 CB B:CYS115 3.1 13.9 1.0 CB B:CYS112 3.4 14.2 1.0 CB B:HIS77 3.5 13.3 1.0 N B:CYS112 3.9 15.5 1.0 N B:CYS115 3.9 12.8 1.0 N3 B:AZG202 3.9 33.2 1.0 OE2 B:GLU79 3.9 16.7 1.0 C4 B:AZG202 4.0 31.5 0.5 CE B:MET114 4.0 18.4 1.0 OE1 B:GLU79 4.0 14.9 1.0 NE2 B:HIS77 4.1 16.0 1.0 CA B:CYS115 4.1 14.0 1.0 CD2 B:HIS77 4.1 15.0 1.0 CA B:CYS112 4.2 14.8 1.0 N9 B:AZG202 4.2 27.3 1.0 CD B:GLU79 4.2 17.4 1.0 C2 B:AZG202 4.4 37.9 1.0 C5 B:AZG202 4.7 28.6 1.0 C B:CYS112 4.7 15.0 1.0 O B:CYS112 4.8 14.8 1.0 CB B:MET114 4.8 14.4 1.0 C B:MET114 5.0 13.8 1.0 N2 B:AZG202 5.0 43.4 1.0 C B:PRO111 5.0 16.4 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