Calcium in PDB 4apb: Crystal Structure of Mycobacterium Tuberculosis Fumarase ( RV1098C) S318C in Complex with Fumarate

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Fumarase ( RV1098C) S318C in Complex with Fumarate:
4.2.1.2;

The structure of Crystal Structure of Mycobacterium Tuberculosis Fumarase ( RV1098C) S318C in Complex with Fumarate, PDB code: 4apb was solved by M.Bellinzoni, A.Haouz, A.E.Mechaly, P.M.Alzari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.37 / 1.94
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	97.997, 98.736, 188.171, 90.00, 90.00, 90.00
R / Rfree (%)	14.74 / 17.45

The binding sites of Calcium atom in the Crystal Structure of Mycobacterium Tuberculosis Fumarase ( RV1098C) S318C in Complex with Fumarate (pdb code 4apb). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Mycobacterium Tuberculosis Fumarase ( RV1098C) S318C in Complex with Fumarate, PDB code: 4apb:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Fumarase ( RV1098C) S318C in Complex with Fumarate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Mycobacterium Tuberculosis Fumarase ( RV1098C) S318C in Complex with Fumarate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1470 b:56.7 occ:1.00 O A:HOH2296 2.4 40.0 1.0 OG A:SER256 2.5 39.4 1.0 O A:HOH2297 2.6 43.5 1.0 O A:HOH2302 2.6 50.7 1.0 CB A:SER256 3.4 33.8 1.0 N A:SER256 4.2 30.0 1.0 O A:GLY254 4.3 34.1 1.0 O A:HOH2303 4.3 49.4 1.0 CA A:SER256 4.4 30.0 1.0 OE2 A:GLU257 4.5 33.6 1.0 OE1 A:GLU257 4.6 29.6 1.0 O A:HOH2299 4.7 49.3 1.0 CD A:GLU257 4.8 44.3 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Fumarase ( RV1098C) S318C in Complex with Fumarate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Mycobacterium Tuberculosis Fumarase ( RV1098C) S318C in Complex with Fumarate within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1470 b:42.0 occ:1.00 O B:HOH2121 2.3 39.0 1.0 O B:GLY124 2.3 25.6 1.0 O B:HOH2181 2.4 43.2 1.0 O B:HOH2182 2.4 42.7 1.0 C B:GLY124 3.4 26.9 1.0 CA B:GLY124 3.9 24.3 1.0 O B:HOH2179 4.4 49.5 1.0 N B:VAL125 4.5 21.1 1.0 O B:HOH2183 4.7 27.7 1.0 O B:HOH2085 4.8 35.8 1.0 CA B:VAL125 4.9 20.6 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Fumarase ( RV1098C) S318C in Complex with Fumarate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Mycobacterium Tuberculosis Fumarase ( RV1098C) S318C in Complex with Fumarate within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca1472 b:30.5 occ:1.00 O D:HOH2256 2.2 30.7 1.0 O D:HOH2382 2.3 40.2 1.0 O D:HOH2253 2.3 24.2 1.0 O D:HOH2383 2.4 35.2 1.0 O D:HOH2258 2.4 33.7 1.0 O D:HOH2254 2.5 28.9 1.0 OG D:SER256 2.5 26.3 1.0 CB D:SER256 3.6 25.0 1.0 N D:SER256 4.2 21.6 1.0 O D:HOH2252 4.3 35.8 1.0 OE2 D:GLU257 4.4 21.9 1.0 O D:GLY254 4.4 25.5 1.0 O D:HOH2257 4.5 34.2 1.0 CA D:SER256 4.5 20.6 1.0 OE1 D:GLU257 4.6 27.8 1.0 CD D:GLU257 4.8 32.7 1.0

A.E.Mechaly, A.Haouz, I.Miras, N.Barilone, P.Weber, W.Shepard, P.M.Alzari, M.Bellinzoni. Conformational Changes Upon Ligand Binding in the Essential Class II Fumarase RV1098C From Mycobacterium Tuberculosis. Febs Lett. V. 586 1606 2012.
ISSN: ISSN 0014-5793
PubMed: 22561013
DOI: 10.1016/J.FEBSLET.2012.04.034