Zinc in PDB 4wif: Crystal Structure of E47Q Mutant Cytidine Deaminase From Mycobacterium Tuberculosis (Mtcda E47Q)

All present enzymatic activity of Crystal Structure of E47Q Mutant Cytidine Deaminase From Mycobacterium Tuberculosis (Mtcda E47Q):
3.5.4.5;

The structure of Crystal Structure of E47Q Mutant Cytidine Deaminase From Mycobacterium Tuberculosis (Mtcda E47Q), PDB code: 4wif was solved by D.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)	18.65 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	65.590, 77.840, 111.620, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 24.9

The binding sites of Zinc atom in the Crystal Structure of E47Q Mutant Cytidine Deaminase From Mycobacterium Tuberculosis (Mtcda E47Q) (pdb code 4wif). 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 E47Q Mutant Cytidine Deaminase From Mycobacterium Tuberculosis (Mtcda E47Q), PDB code: 4wif:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of E47Q Mutant Cytidine Deaminase From Mycobacterium Tuberculosis (Mtcda E47Q)


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 E47Q Mutant Cytidine Deaminase From Mycobacterium Tuberculosis (Mtcda E47Q) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:12.1 occ:1.00 O A:HOH307 2.1 11.9 1.0 SG A:CYS89 2.3 9.6 1.0 SG A:CYS92 2.3 13.7 1.0 SG A:CYS56 2.4 10.8 1.0 O A:HOH339 2.7 26.9 1.0 CB A:CYS56 3.2 10.4 1.0 CB A:CYS89 3.3 10.2 1.0 CB A:CYS92 3.3 12.1 1.0 N A:CYS89 3.8 10.7 1.0 OE2 A:GLU58 3.9 12.6 1.0 NE A:ARG91 4.0 11.2 1.0 CA A:CYS89 4.1 10.2 1.0 N A:CYS92 4.1 10.8 1.0 OE1 A:GLU58 4.1 12.7 1.0 CD A:GLU58 4.2 12.2 1.0 CA A:CYS92 4.3 11.2 1.0 O A:CYS89 4.5 10.2 1.0 C A:CYS89 4.6 10.1 1.0 CA A:CYS56 4.6 10.6 1.0 NH1 A:ARG91 4.7 12.0 1.0 CD A:ARG91 4.8 11.1 1.0 CZ A:ARG91 4.8 11.7 1.0 C A:PRO88 5.0 11.2 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of E47Q Mutant Cytidine Deaminase From Mycobacterium Tuberculosis (Mtcda E47Q)


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 E47Q Mutant Cytidine Deaminase From Mycobacterium Tuberculosis (Mtcda E47Q) within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:12.0 occ:1.00 O B:HOH316 1.9 9.9 1.0 SG B:CYS56 2.3 11.3 1.0 SG B:CYS92 2.3 10.3 1.0 SG B:CYS89 2.3 10.5 1.0 CB B:CYS56 3.1 11.0 1.0 CB B:CYS92 3.4 10.2 1.0 CB B:CYS89 3.4 10.3 1.0 O B:HOH348 3.8 25.4 1.0 N B:CYS89 3.9 10.9 1.0 OE2 B:GLU58 4.0 11.2 1.0 NE B:ARG91 4.0 12.1 1.0 N B:CYS92 4.0 10.4 1.0 OE1 B:GLU58 4.1 10.2 1.0 CA B:CYS89 4.1 10.4 1.0 CD B:GLU58 4.3 10.4 1.0 CA B:CYS92 4.3 10.3 1.0 O B:CYS89 4.5 9.8 1.0 C B:CYS89 4.6 10.1 1.0 O B:HOH419 4.6 23.8 1.0 CA B:CYS56 4.6 10.6 1.0 NH1 B:ARG91 4.7 12.2 1.0 CD B:ARG91 4.8 12.0 1.0 O B:HOH354 4.8 13.4 1.0 CZ B:ARG91 4.8 12.2 1.0 CB B:ARG91 4.9 11.0 1.0 C B:PRO88 5.0 11.8 1.0

A.Z.Sanchez-Quitian, V.Rodrigues-Junior, J.G.Rehm, P.Eichler, D.B.B.Trivella, C.V.Bizarro, L.A.Basso, D.S.Santos. Crystal Structure of E47Q Mutant Cytidine Deaminase From Mycobacterium Tuberculosis (Mtcda E47Q) Rsc Adv 2015.
ISSN: ESSN 2046-2069
DOI: 10.1039/C4RA13748E