Calcium in PDB 3zo9: The Structure of Trehalose Synthase (Tres) of Mycobacterium Smegmatis

All present enzymatic activity of The Structure of Trehalose Synthase (Tres) of Mycobacterium Smegmatis:
3.2.1.1; 5.4.99.16;

The structure of The Structure of Trehalose Synthase (Tres) of Mycobacterium Smegmatis, PDB code: 3zo9 was solved by S.Caner, N.Nguyen, A.Aguda, R.Zhang, Y.T.Pan, S.G.Withers, G.D.Brayer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.918 / 1.84
Space group	I 41
Cell size a, b, c (Å), α, β, γ (°)	127.550, 127.550, 217.760, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 19.54

The structure of The Structure of Trehalose Synthase (Tres) of Mycobacterium Smegmatis also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Chlorine	(Cl)	7 atoms

The binding sites of Calcium atom in the The Structure of Trehalose Synthase (Tres) of Mycobacterium Smegmatis (pdb code 3zo9). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The Structure of Trehalose Synthase (Tres) of Mycobacterium Smegmatis, PDB code: 3zo9:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The Structure of Trehalose Synthase (Tres) of Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Structure of Trehalose Synthase (Tres) of Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1589 b:25.3 occ:1.00 O A:TYR234 2.3 24.6 1.0 OD2 A:ASP200 2.3 26.3 1.0 OE2 A:GLU237 2.4 27.8 1.0 O A:HOH2255 2.4 26.4 1.0 O A:HOH2142 2.4 22.9 1.0 OD1 A:ASN132 2.5 27.3 1.0 O A:LEU235 2.5 23.7 1.0 C A:LEU235 3.2 27.2 1.0 C A:TYR234 3.4 20.6 1.0 CG A:ASP200 3.4 25.7 1.0 CD A:GLU237 3.4 30.1 1.0 CA A:LEU235 3.5 23.9 1.0 CG A:ASN132 3.6 27.9 1.0 OE1 A:GLU237 3.8 26.6 1.0 CB A:ASP200 3.9 20.5 1.0 N A:LEU235 3.9 24.6 1.0 ND2 A:ASN132 4.1 25.0 1.0 O A:LEU201 4.3 24.9 1.0 O A:HOH2251 4.3 26.2 1.0 O A:HOH2256 4.3 28.5 1.0 N A:PHE236 4.3 29.8 1.0 O A:ASN132 4.3 24.0 1.0 OD1 A:ASP200 4.5 24.7 1.0 NE1 A:TRP191 4.5 24.2 1.0 CB A:TYR234 4.6 25.2 1.0 CA A:TYR234 4.6 25.6 1.0 CD1 A:TRP191 4.6 23.5 1.0 CG A:GLU237 4.8 26.0 1.0 CB A:ASN132 4.8 23.3 1.0 CA A:PHE236 4.9 26.2 1.0 CB A:LEU235 4.9 26.0 1.0 CA A:ASP200 5.0 22.9 1.0 CG A:ARG193 5.0 25.1 1.0

Calcium binding site 2 out of 2 in the The Structure of Trehalose Synthase (Tres) of Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Structure of Trehalose Synthase (Tres) of Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1590 b:26.9 occ:1.00 OD2 B:ASP200 2.3 27.2 1.0 O B:TYR234 2.3 29.0 1.0 OE2 B:GLU237 2.4 27.5 1.0 O B:HOH2226 2.4 28.8 1.0 O B:HOH2135 2.4 27.7 1.0 O B:LEU235 2.5 27.2 1.0 OD1 B:ASN132 2.5 26.1 1.0 C B:LEU235 3.3 27.0 1.0 CG B:ASP200 3.3 27.6 1.0 C B:TYR234 3.4 25.5 1.0 CD B:GLU237 3.4 33.7 1.0 CA B:LEU235 3.6 28.7 1.0 CG B:ASN132 3.6 29.1 1.0 OE1 B:GLU237 3.8 30.8 1.0 CB B:ASP200 3.8 22.5 1.0 N B:LEU235 3.9 27.2 1.0 ND2 B:ASN132 4.1 25.4 1.0 O B:LEU201 4.3 28.7 1.0 O B:HOH2222 4.3 30.1 1.0 O B:ASN132 4.3 26.5 1.0 N B:PHE236 4.3 29.0 1.0 O B:HOH2227 4.4 31.0 1.0 OD1 B:ASP200 4.4 26.3 1.0 NE1 B:TRP191 4.5 27.3 1.0 CB B:TYR234 4.6 27.4 1.0 CA B:TYR234 4.6 27.6 1.0 CD1 B:TRP191 4.6 23.1 1.0 CG B:GLU237 4.8 31.3 1.0 CB B:ASN132 4.9 24.6 1.0 CG B:ARG193 4.9 27.0 1.0 CA B:PHE236 4.9 31.3 1.0 CA B:ASP200 4.9 23.9 1.0 CB B:LEU235 5.0 28.2 1.0

S.Caner, N.Nguyen, A.Aguda, R.Zhang, Y.T.Pan, S.G.Withers, G.D.Brayer. The Structure of the Mycobacterium Smegmatis Trehalose Synthase Reveals An Unusual Active Site Configuration and Acarbose-Binding Mode. Glycobiology V. 23 1075 2013.
ISSN: ISSN 0959-6658
PubMed: 23735230
DOI: 10.1093/GLYCOB/CWT044