Calcium in PDB 8uzh: Sumo Fused Trehalose Synthase (Tres) of Mycobacterium Tuberculosis

The structure of Sumo Fused Trehalose Synthase (Tres) of Mycobacterium Tuberculosis, PDB code: 8uzh was solved by R.Pathirage, D.R.Ronning, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.69 / 2.80
Space group	P 32 1 2
Cell size a, b, c (Å), α, β, γ (°)	156.877, 156.877, 138.436, 90, 90, 120
R / Rfree (%)	24.8 / 29

The binding sites of Calcium atom in the Sumo Fused Trehalose Synthase (Tres) of Mycobacterium Tuberculosis (pdb code 8uzh). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Sumo Fused Trehalose Synthase (Tres) of Mycobacterium Tuberculosis, PDB code: 8uzh:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Sumo Fused Trehalose Synthase (Tres) of Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Sumo Fused Trehalose Synthase (Tres) of Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca701 b:195.8 occ:1.00 OD1 A:ASP157 2.5 94.7 1.0 OD2 A:ASP161 2.8 88.9 1.0 CB A:ASP161 2.8 102.0 1.0 CG A:ASP161 2.9 90.9 1.0 O A:SER159 3.1 79.3 1.0 CG A:ASP157 3.1 94.0 1.0 OD2 A:ASP157 3.2 95.8 1.0 CB A:SER155 3.2 77.7 1.0 OD1 A:ASP153 3.3 99.7 1.0 O A:GLU206 3.5 102.5 1.0 OD1 A:ASP161 3.9 84.8 1.0 CA A:ASP161 3.9 84.1 1.0 N A:ASP161 3.9 85.0 1.0 N A:SER155 4.1 94.3 1.0 C A:SER159 4.2 84.8 1.0 CA A:SER155 4.2 86.9 1.0 C A:GLY160 4.4 89.9 1.0 CG A:ASP153 4.4 89.5 1.0 CB A:ASP157 4.4 93.0 1.0 C A:GLU206 4.7 94.6 1.0 O A:GLY160 4.8 89.6 1.0 C A:SER155 4.8 102.1 1.0 N A:ASP157 4.9 90.1 1.0 CA A:SER159 5.0 84.5 1.0 CA A:GLY160 5.0 81.1 1.0 N A:SER159 5.0 90.3 1.0

Calcium binding site 2 out of 3 in the Sumo Fused Trehalose Synthase (Tres) of Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Sumo Fused Trehalose Synthase (Tres) of Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca702 b:105.0 occ:1.00 OD1 A:ASN234 2.3 105.2 1.0 OE2 A:GLU339 2.4 92.4 1.0 O A:LEU337 2.5 98.5 1.0 O A:TYR336 2.6 80.4 1.0 OD2 A:ASP302 2.8 91.8 1.0 CD A:GLU339 3.3 107.7 1.0 CG A:ASP302 3.3 91.3 1.0 C A:LEU337 3.4 96.0 1.0 CB A:ASP302 3.4 90.6 1.0 OE1 A:GLU339 3.5 111.3 1.0 CG A:ASN234 3.5 91.1 1.0 CA A:LEU337 3.6 88.6 1.0 C A:TYR336 3.7 84.7 1.0 O A:LEU303 3.7 106.0 1.0 O A:ASN234 4.1 102.6 1.0 N A:LEU337 4.1 73.8 1.0 N A:LEU303 4.1 94.9 1.0 OD1 A:ASP302 4.2 94.8 1.0 ND2 A:ASN234 4.4 85.9 1.0 CA A:ASP302 4.4 94.1 1.0 CD1 A:TRP293 4.4 82.8 1.0 CB A:ASN234 4.6 62.3 1.0 N A:PHE338 4.6 96.4 1.0 C A:ASP302 4.6 92.8 1.0 C A:LEU303 4.6 99.9 1.0 CG A:GLU339 4.6 92.6 1.0 NE1 A:TRP293 4.7 79.7 1.0 CA A:ASN234 4.8 76.2 1.0 C A:ASN234 4.8 92.1 1.0 CA A:TYR336 4.9 91.5 1.0 O A:PHE338 5.0 80.5 1.0 CB A:TYR336 5.0 84.5 1.0 CA A:LEU303 5.0 91.5 1.0

Calcium binding site 3 out of 3 in the Sumo Fused Trehalose Synthase (Tres) of Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Sumo Fused Trehalose Synthase (Tres) of Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca701 b:155.8 occ:1.00 OD1 B:ASN234 2.3 106.0 1.0 O B:LEU337 2.3 106.7 1.0 OE2 B:GLU339 2.4 98.5 1.0 O B:TYR336 2.7 92.8 1.0 C B:LEU337 3.1 99.7 1.0 O B:LEU303 3.2 99.8 1.0 CD B:GLU339 3.3 104.3 1.0 CA B:LEU337 3.5 89.8 1.0 CG B:ASN234 3.5 81.6 1.0 CB B:ASP302 3.6 83.4 1.0 OE1 B:GLU339 3.6 99.6 1.0 C B:TYR336 3.7 85.9 1.0 O B:ASN234 4.0 94.9 1.0 N B:LEU337 4.1 81.8 1.0 CG B:ASP302 4.1 84.2 1.0 ND2 B:ASN234 4.2 79.5 1.0 N B:PHE338 4.3 94.4 1.0 C B:LEU303 4.3 94.5 1.0 N B:LEU303 4.3 88.5 1.0 OD1 B:ASP302 4.4 94.8 1.0 CD2 B:TYR305 4.5 94.7 1.0 CG B:GLU339 4.5 99.1 1.0 CA B:ASP302 4.6 84.3 1.0 C B:ASP302 4.6 89.6 1.0 CB B:ASN234 4.6 71.0 1.0 CA B:ASN234 4.7 74.1 1.0 CE2 B:TYR305 4.7 93.2 1.0 C B:ASN234 4.7 86.7 1.0 CB B:LEU337 4.8 77.5 1.0 OD2 B:ASP302 4.8 95.2 1.0 CA B:LEU303 4.9 90.8 1.0 CA B:PHE338 4.9 92.7 1.0 CD1 B:TRP293 4.9 73.9 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. Acs Infect Dis. 2024.
ISSN: ESSN 2373-8227
PubMed: 38485491
DOI: 10.1021/ACSINFECDIS.4C00138