Calcium in PDB 6fvj: Tesa A Major Thioesterase From Mycobacterium Tuberculosis

The structure of Tesa A Major Thioesterase From Mycobacterium Tuberculosis, PDB code: 6fvj was solved by C.Cambillau, V.S.Nguyen, S.Canaan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.83 / 2.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	79.070, 224.580, 222.210, 90.00, 90.00, 90.00
R / Rfree (%)	23.6 / 25.9

The binding sites of Calcium atom in the Tesa A Major Thioesterase From Mycobacterium Tuberculosis (pdb code 6fvj). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Tesa A Major Thioesterase From Mycobacterium Tuberculosis, PDB code: 6fvj:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Tesa A Major Thioesterase From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Tesa A Major Thioesterase From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:72.9 occ:1.00 O D:ARG49 2.3 47.6 1.0 O D:PHE51 2.4 46.9 1.0 OE1 A:GLU50 2.7 48.3 1.0 CD2 A:LEU243 3.3 52.2 1.0 C D:ARG49 3.4 47.7 1.0 C D:PHE51 3.6 46.5 1.0 CD A:GLU50 3.8 64.0 1.0 CA D:ARG49 4.0 45.7 1.0 NH2 D:ARG57 4.0 30.4 1.0 CG A:GLU50 4.1 55.6 1.0 N D:PHE51 4.2 41.7 1.0 CB A:LEU243 4.2 46.8 1.0 CG A:LEU243 4.3 51.0 1.0 C D:GLU50 4.4 45.5 1.0 N D:GLU50 4.4 43.2 1.0 N D:SER52 4.5 42.9 1.0 O A:ALA46 4.5 53.6 1.0 CA D:SER52 4.5 42.9 1.0 CA D:PHE51 4.5 41.5 1.0 O D:SER48 4.5 50.7 1.0 CB A:ALA46 4.8 48.9 1.0 CA D:GLU50 4.8 43.0 1.0 CG D:ARG49 4.8 54.6 1.0 O D:GLU50 4.8 45.7 1.0 OE2 A:GLU50 4.9 60.7 1.0 CZ D:ARG57 4.9 44.6 1.0 CB D:ARG49 5.0 45.8 1.0 C D:SER52 5.0 45.2 1.0

Calcium binding site 2 out of 2 in the Tesa A Major Thioesterase From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Tesa A Major Thioesterase From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca302 b:0.6 occ:1.00 O C:HOH409 2.7 73.0 1.0 O C:ARG49 3.3 77.6 1.0 O C:PHE51 3.8 71.3 1.0 O C:GLU50 3.9 71.1 1.0 C C:GLU50 4.1 70.9 1.0 O C:HOH439 4.3 82.9 1.0 C C:PHE51 4.4 70.3 1.0 CA C:GLU50 4.4 69.8 1.0 C C:ARG49 4.5 76.1 1.0 N C:PHE51 4.8 64.9 1.0 N C:GLU50 4.9 70.3 1.0 N C:SER52 5.0 67.8 1.0 CA C:SER52 5.0 69.4 1.0

P.C.Nguyen, V.S.Nguyen, B.P.Martin, P.Fourquet, L.Camoin, C.D.Spilling, J.F.Cavalier, C.Cambillau, S.Canaan. Biochemical and Structural Characterization of Tesa, A Major Thioesterase Required For Outer-Envelope Lipid Biosynthesis in Mycobacterium Tuberculosis. J. Mol. Biol. V. 430 5120 2018.
ISSN: ESSN 1089-8638
PubMed: 30292819
DOI: 10.1016/J.JMB.2018.09.017