Zinc in PDB 3c8z: The 1.6 A Crystal Structure of Mshc: the Rate Limiting Enzyme in the Mycothiol Biosynthetic Pathway

All present enzymatic activity of The 1.6 A Crystal Structure of Mshc: the Rate Limiting Enzyme in the Mycothiol Biosynthetic Pathway:
6.1.1.16;

The structure of The 1.6 A Crystal Structure of Mshc: the Rate Limiting Enzyme in the Mycothiol Biosynthetic Pathway, PDB code: 3c8z was solved by L.W.Tremblay, F.Fan, M.W.Vetting, J.S.Blanchard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.09 / 1.60
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	123.521, 123.521, 186.026, 90.00, 90.00, 120.00
R / Rfree (%)	18.5 / 20.7

The binding sites of Zinc atom in the The 1.6 A Crystal Structure of Mshc: the Rate Limiting Enzyme in the Mycothiol Biosynthetic Pathway (pdb code 3c8z). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the The 1.6 A Crystal Structure of Mshc: the Rate Limiting Enzyme in the Mycothiol Biosynthetic Pathway, PDB code: 3c8z:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the The 1.6 A Crystal Structure of Mshc: the Rate Limiting Enzyme in the Mycothiol Biosynthetic Pathway


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The 1.6 A Crystal Structure of Mshc: the Rate Limiting Enzyme in the Mycothiol Biosynthetic Pathway within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn413 b:16.4 occ:1.00 NE2 A:HIS256 2.1 14.2 1.0 SG A:CYS43 2.3 15.8 1.0 SG A:CYS231 2.3 15.5 1.0 SG A:5CA418 2.4 15.7 1.0 CD2 A:HIS256 3.1 16.7 1.0 CE1 A:HIS256 3.1 13.4 1.0 CB A:CYS43 3.2 14.7 1.0 CB A:CYS231 3.3 17.3 1.0 CB A:5CA418 3.5 16.9 1.0 O A:HOH639 3.9 43.7 1.0 CA A:CYS43 4.1 15.0 1.0 NE1 A:TRP227 4.2 17.3 1.0 CG A:HIS256 4.2 14.8 1.0 ND1 A:HIS256 4.2 15.0 1.0 ND2 A:ASN81 4.3 17.5 1.0 OD1 A:ASN81 4.4 16.3 1.0 CE2 A:TYR41 4.6 18.5 1.0 CG A:ASN81 4.7 17.2 1.0 O A:HOH438 4.7 20.1 1.0 OH A:TYR41 4.7 17.9 1.0 CA A:CYS231 4.7 17.4 1.0 CE2 A:TRP227 4.8 16.4 1.0 CA A:5CA418 4.9 17.7 1.0 CZ2 A:TRP227 5.0 15.9 1.0 CD1 A:TRP227 5.0 16.8 1.0 C A:CYS43 5.0 15.3 1.0 NE2 A:HIS257 5.0 18.3 1.0

Zinc binding site 2 out of 2 in the The 1.6 A Crystal Structure of Mshc: the Rate Limiting Enzyme in the Mycothiol Biosynthetic Pathway


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The 1.6 A Crystal Structure of Mshc: the Rate Limiting Enzyme in the Mycothiol Biosynthetic Pathway within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn413 b:13.3 occ:1.00 NE2 B:HIS256 2.1 11.4 1.0 SG B:CYS43 2.3 13.8 1.0 SG B:CYS231 2.3 13.5 1.0 SG B:5CA416 2.4 13.1 1.0 CD2 B:HIS256 3.1 11.8 1.0 CE1 B:HIS256 3.1 11.5 1.0 CB B:CYS43 3.2 12.6 1.0 CB B:CYS231 3.4 14.9 1.0 CB B:5CA416 3.5 13.0 1.0 O B:HOH743 3.9 41.0 1.0 CA B:CYS43 4.0 12.6 1.0 NE1 B:TRP227 4.2 14.0 1.0 ND1 B:HIS256 4.2 11.6 1.0 CG B:HIS256 4.2 11.1 1.0 ND2 B:ASN81 4.3 13.4 1.0 OD1 B:ASN81 4.4 13.6 1.0 CE2 B:TYR41 4.5 14.0 1.0 OH B:TYR41 4.7 12.0 1.0 O B:HOH471 4.7 17.2 1.0 CG B:ASN81 4.7 12.1 1.0 CA B:CYS231 4.8 13.7 1.0 CE2 B:TRP227 4.9 12.9 1.0 CA B:5CA416 4.9 13.8 1.0 CD1 B:TRP227 5.0 13.5 1.0 C B:CYS43 5.0 12.8 1.0 NE2 B:HIS257 5.0 13.3 1.0

L.W.Tremblay, F.Fan, M.W.Vetting, J.S.Blanchard. The 1.6 A Crystal Structure of Mycobacterium Smegmatis Mshc: the Penultimate Enzyme in the Mycothiol Biosynthetic Pathway. Biochemistry V. 47 13326 2008.
ISSN: ISSN 0006-2960
PubMed: 19053270
DOI: 10.1021/BI801708F