Calcium in PDB 8uqv: Trehalose Synthase (Tres) of Mycobacterium Tuberculosis in Complex with 6-Treaz Compound

The binding sites of Calcium atom in the Trehalose Synthase (Tres) of Mycobacterium Tuberculosis in Complex with 6-Treaz Compound (pdb code 8uqv). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Trehalose Synthase (Tres) of Mycobacterium Tuberculosis in Complex with 6-Treaz Compound, PDB code: 8uqv:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Trehalose Synthase (Tres) of Mycobacterium Tuberculosis in Complex with 6-Treaz Compound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Trehalose Synthase (Tres) of Mycobacterium Tuberculosis in Complex with 6-Treaz Compound within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca603 b:41.5 occ:1.00 OD2 A:ASP208 2.3 36.7 1.0 O A:LEU243 2.3 39.0 1.0 OD1 A:ASP208 2.5 36.7 1.0 CG A:ASP208 2.6 36.7 1.0 O A:TYR242 2.9 40.3 1.0 OE1 A:GLU245 3.0 42.1 1.0 C A:LEU243 3.3 39.0 1.0 OE2 A:GLU245 3.5 42.1 1.0 CD A:GLU245 3.5 42.1 1.0 NE1 A:TRP199 3.7 37.8 1.0 CA A:LEU243 3.9 39.0 1.0 CB A:ASP208 3.9 36.7 1.0 C A:TYR242 4.0 40.3 1.0 CD1 A:TRP199 4.1 37.8 1.0 OD1 A:ASN140 4.1 40.5 1.0 O A:LEU209 4.3 34.5 1.0 N A:PHE244 4.4 39.6 1.0 N A:LEU243 4.4 39.0 1.0 CA A:PHE244 4.8 39.6 1.0 CG A:GLU245 4.8 42.1 1.0 CG A:ASN140 4.9 40.5 1.0 CE2 A:TRP199 5.0 37.8 1.0 C A:PHE244 5.0 39.6 1.0

Calcium binding site 2 out of 4 in the Trehalose Synthase (Tres) of Mycobacterium Tuberculosis in Complex with 6-Treaz Compound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Trehalose Synthase (Tres) of Mycobacterium Tuberculosis in Complex with 6-Treaz Compound within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca603 b:40.7 occ:1.00 OE2 B:GLU245 2.6 50.0 1.0 OD2 B:ASP208 3.1 41.0 1.0 O B:TYR242 3.2 46.0 1.0 OE1 B:GLU245 3.2 50.0 1.0 CD B:GLU245 3.3 50.0 1.0 O B:LEU209 3.6 37.4 1.0 CB B:ASP208 3.6 41.0 1.0 OD1 B:ASN140 3.7 41.7 1.0 CG B:ASP208 3.7 41.0 1.0 C B:TYR242 4.4 46.0 1.0 NE1 B:TRP199 4.6 42.2 1.0 CA B:LEU243 4.6 44.5 1.0 O B:LEU243 4.6 44.5 1.0 CD1 B:TRP199 4.6 42.2 1.0 C B:LEU243 4.6 44.5 1.0 CD2 B:TYR211 4.6 40.4 1.0 CA B:ASP208 4.7 41.0 1.0 C B:LEU209 4.7 37.4 1.0 OD1 B:ASP208 4.7 41.0 1.0 CG B:GLU245 4.8 50.0 1.0 C B:ASP208 4.8 41.0 1.0 CG B:ASN140 4.8 41.7 1.0 N B:LEU209 4.9 37.4 1.0 N B:LEU243 4.9 44.5 1.0 O B:ASN140 5.0 41.7 1.0

Calcium binding site 3 out of 4 in the Trehalose Synthase (Tres) of Mycobacterium Tuberculosis in Complex with 6-Treaz Compound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Trehalose Synthase (Tres) of Mycobacterium Tuberculosis in Complex with 6-Treaz Compound within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca603 b:26.4 occ:1.00 OE2 C:GLU245 2.8 36.4 1.0 O C:TYR242 2.9 30.5 1.0 CB C:ASP208 3.3 30.0 1.0 OD1 C:ASN140 3.4 30.0 1.0 CG C:ASP208 3.7 30.0 1.0 OD2 C:ASP208 3.7 30.0 1.0 CD C:GLU245 3.8 36.4 1.0 C C:TYR242 4.1 30.5 1.0 O C:LEU209 4.2 30.0 1.0 CA C:LEU243 4.3 30.0 1.0 NE1 C:TRP199 4.4 30.0 1.0 CD1 C:TRP199 4.4 30.0 1.0 O C:LEU243 4.4 30.0 1.0 C C:LEU243 4.4 30.0 1.0 CG C:GLU245 4.5 36.4 1.0 CG C:ASN140 4.5 30.0 1.0 OD1 C:ASP208 4.5 30.0 1.0 CA C:ASP208 4.6 30.0 1.0 OE1 C:GLU245 4.6 36.4 1.0 N C:LEU243 4.7 30.0 1.0 C C:ASP208 4.8 30.0 1.0 N C:LEU209 5.0 30.0 1.0

Calcium binding site 4 out of 4 in the Trehalose Synthase (Tres) of Mycobacterium Tuberculosis in Complex with 6-Treaz Compound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Trehalose Synthase (Tres) of Mycobacterium Tuberculosis in Complex with 6-Treaz Compound within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca603 b:36.0 occ:1.00 OE2 D:GLU245 2.3 36.6 1.0 ND2 D:ASN140 2.4 32.8 1.0 O D:LEU243 2.5 31.7 1.0 OE1 D:GLU245 2.5 36.6 1.0 CD D:GLU245 2.6 36.6 1.0 OD1 D:ASN140 2.7 32.8 1.0 CG D:ASN140 2.9 32.8 1.0 OD2 D:ASP208 3.1 32.5 1.0 O D:TYR242 3.1 33.9 1.0 C D:LEU243 3.5 31.7 1.0 CG D:GLU245 3.8 36.6 1.0 O D:LEU209 3.9 30.0 1.0 CG D:ASP208 3.9 32.5 1.0 CB D:ASP208 4.0 32.5 1.0 CA D:LEU243 4.0 31.7 1.0 C D:TYR242 4.2 33.9 1.0 CB D:ASN140 4.4 32.8 1.0 N D:PHE244 4.6 32.6 1.0 N D:LEU243 4.6 31.7 1.0 NE1 D:TRP199 4.8 32.2 1.0 C D:LEU209 4.9 30.0 1.0 N D:GLU245 4.9 36.6 1.0 CB D:GLU245 4.9 36.6 1.0 CA D:PHE244 5.0 32.6 1.0 N D:LEU209 5.0 30.0 1.0

K.Kalera, R.Liu, J.Lim, R.Pathirage, D.H.Swanson, U.G.Johnson, A.I.Stothard, J.J.Lee, A.W.Poston, P.J.Woodruff, D.R.Ronning, H.Eoh, B.M.Swarts. Targeting Mycobacterium Tuberculosis Persistence Through Inhibition of the Trehalose Catalytic Shift To Be Published.