Calcium in PDB 2bng: Structure of An M.Tuberculosis Leh-Like Epoxide Hydrolase

All present enzymatic activity of Structure of An M.Tuberculosis Leh-Like Epoxide Hydrolase:
3.3.2.8;

The structure of Structure of An M.Tuberculosis Leh-Like Epoxide Hydrolase, PDB code: 2bng was solved by P.Johansson, M.Arand, T.Unge, T.Bergfors, T.A.Jones, S.L.Mowbray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.5
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	81.901, 81.901, 117.025, 90.00, 90.00, 120.00
R / Rfree (%)	22.2 / 25.4

The binding sites of Calcium atom in the Structure of An M.Tuberculosis Leh-Like Epoxide Hydrolase (pdb code 2bng). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of An M.Tuberculosis Leh-Like Epoxide Hydrolase, PDB code: 2bng:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of An M.Tuberculosis Leh-Like Epoxide Hydrolase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of An M.Tuberculosis Leh-Like Epoxide Hydrolase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1145 b:70.3 occ:1.00 OD2 B:ASP114 2.6 64.2 1.0 OD1 A:ASP42 2.6 55.2 1.0 OE1 B:GLU13 2.8 72.0 1.0 OD2 A:ASP42 3.2 51.3 1.0 CG A:ASP42 3.3 51.2 1.0 CG B:ASP114 3.8 63.5 1.0 N B:ASP114 3.9 56.0 1.0 CD B:GLU13 4.0 72.1 1.0 CA B:ASP114 4.0 57.7 1.0 CB B:ASP114 4.5 59.8 1.0 O A:HOH2007 4.5 36.4 1.0 CG B:GLU13 4.6 68.0 1.0 NH2 A:ARG58 4.6 51.5 1.0 OD1 B:ASP113 4.6 64.8 1.0 OD1 B:ASP114 4.7 67.2 1.0 CB A:ASP42 4.8 49.0 1.0 NH2 A:ARG116 4.9 55.8 1.0 OE2 B:GLU13 5.0 74.4 1.0 NE A:ARG58 5.0 53.3 1.0

Calcium binding site 2 out of 2 in the Structure of An M.Tuberculosis Leh-Like Epoxide Hydrolase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of An M.Tuberculosis Leh-Like Epoxide Hydrolase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1146 b:49.6 occ:1.00 O B:GLN29 2.4 42.2 1.0 C B:GLN29 3.6 41.5 1.0 CA B:ASN30 4.2 45.4 1.0 N B:ASN30 4.3 43.0 1.0 O B:PHE73 4.3 38.4 1.0 CG B:GLN29 4.4 41.4 1.0 OE2 B:GLU31 4.4 53.9 1.0 CA B:GLN29 4.6 39.7 1.0 OD1 B:ASN30 4.7 47.2 1.0 C B:ASN30 4.8 46.8 1.0

P.Johansson, T.Unge, A.Cronin, M.Arand, T.Bergfors, T.A.Jones, S.L.Mowbray. Structure of An Atypical Epoxide Hydrolase From Mycobacterium Tuberculosis Gives Insights Into Its Function. J.Mol.Biol. V. 351 1048 2005.
ISSN: ISSN 0022-2836
PubMed: 16051262
DOI: 10.1016/J.JMB.2005.06.055