Zinc in PDB 4wig: Crystal Structure of E47D Mutant Cytidine Deaminase From Mycobacterium Tuberculosis (Mtcda E47D)

All present enzymatic activity of Crystal Structure of E47D Mutant Cytidine Deaminase From Mycobacterium Tuberculosis (Mtcda E47D):
3.5.4.5;

The structure of Crystal Structure of E47D Mutant Cytidine Deaminase From Mycobacterium Tuberculosis (Mtcda E47D), PDB code: 4wig was solved by D.B.B.Trivella, A.Z.Sanchez-Quitian, L.A.Basso, D.S.Santos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.02 / 1.76
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	66.000, 76.980, 112.840, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 22.9

The binding sites of Zinc atom in the Crystal Structure of E47D Mutant Cytidine Deaminase From Mycobacterium Tuberculosis (Mtcda E47D) (pdb code 4wig). 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 E47D Mutant Cytidine Deaminase From Mycobacterium Tuberculosis (Mtcda E47D), PDB code: 4wig:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of E47D Mutant Cytidine Deaminase From Mycobacterium Tuberculosis (Mtcda E47D)


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 E47D Mutant Cytidine Deaminase From Mycobacterium Tuberculosis (Mtcda E47D) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:9.3 occ:1.00 O A:HOH305 1.9 11.4 1.0 SG A:CYS92 2.3 9.2 1.0 SG A:CYS89 2.3 9.4 1.0 SG A:CYS56 2.3 9.9 1.0 CB A:CYS56 3.2 9.3 1.0 CB A:CYS92 3.3 9.1 1.0 CB A:CYS89 3.4 9.1 1.0 O A:HOH351 3.6 29.0 1.0 N A:CYS89 3.9 9.2 1.0 OE2 A:GLU58 3.9 10.4 1.0 NE A:ARG91 3.9 10.8 1.0 N A:CYS92 4.0 9.0 1.0 OE1 A:GLU58 4.1 9.9 1.0 CA A:CYS89 4.1 8.9 1.0 CD A:GLU58 4.2 9.8 1.0 CA A:CYS92 4.2 9.0 1.0 O A:CYS89 4.5 7.8 1.0 O A:HOH385 4.6 16.1 1.0 CA A:CYS56 4.6 9.1 1.0 C A:CYS89 4.6 8.5 1.0 NH1 A:ARG91 4.7 11.2 1.0 CD A:ARG91 4.7 10.3 1.0 CZ A:ARG91 4.8 11.2 1.0 O A:HOH359 4.9 19.1 1.0 CB A:ARG91 5.0 9.6 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of E47D Mutant Cytidine Deaminase From Mycobacterium Tuberculosis (Mtcda E47D)


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 E47D Mutant Cytidine Deaminase From Mycobacterium Tuberculosis (Mtcda E47D) within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:9.7 occ:1.00 O B:HOH305 2.0 11.8 1.0 SG B:CYS92 2.3 8.8 1.0 SG B:CYS56 2.3 9.9 1.0 SG B:CYS89 2.3 9.2 1.0 CB B:CYS56 3.2 9.2 1.0 CB B:CYS92 3.3 8.6 1.0 CB B:CYS89 3.4 8.9 1.0 N B:CYS89 3.9 9.1 1.0 NE B:ARG91 3.9 10.0 1.0 OE2 B:GLU58 4.0 10.1 1.0 N B:CYS92 4.0 8.7 1.0 OE1 B:GLU58 4.1 9.9 1.0 CA B:CYS89 4.1 8.8 1.0 CD B:GLU58 4.2 9.5 1.0 CA B:CYS92 4.3 8.6 1.0 O B:CYS89 4.6 7.7 1.0 O B:HOH371 4.6 17.6 1.0 C B:CYS89 4.6 8.4 1.0 CA B:CYS56 4.6 8.9 1.0 CD B:ARG91 4.7 9.5 1.0 NH1 B:ARG91 4.7 10.2 1.0 CZ B:ARG91 4.8 10.1 1.0

Z.A.Sanchez-Quitian, E.Rodrigues-Junior, J.G.Rehm, P.Eichler, D.B.B.Trivella, C.V.Bizarro, L.A.Basso, D.S.Santos. Functional and Structural Evidence For the Catalytic Role Played By Glutamate-47 Residue in the Mode of Action of Mycobacterium Tuberculosis Cytidine Deaminase Rsc Adv V. 5 830 2015.
ISSN: ESSN 2046-2069
DOI: 10.1039/C4RA13748E