Calcium in PDB 6s2r: Mycobacterial Hydrolase 2

All present enzymatic activity of Mycobacterial Hydrolase 2:
3.1.3.70; 3.1.3.85;

The structure of Mycobacterial Hydrolase 2, PDB code: 6s2r was solved by T.B.Cereija, F.Vilela, S.Macedo-Ribeiro, P.J.B.Pereira, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.51 / 1.45
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	98.953, 48.830, 93.477, 90.00, 104.33, 90.00
R / Rfree (%)	17.4 / 20

The binding sites of Calcium atom in the Mycobacterial Hydrolase 2 (pdb code 6s2r). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Mycobacterial Hydrolase 2, PDB code: 6s2r:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Mycobacterial Hydrolase 2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Mycobacterial Hydrolase 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca301 b:30.6 occ:1.00 O B:GLU230 2.4 38.2 1.0 O B:HOH514 2.4 40.4 1.0 OE2 B:GLU230 2.4 40.9 1.0 O B:HOH531 2.4 42.9 1.0 O B:HOH501 2.4 49.4 1.0 O B:HOH458 2.5 36.3 1.0 CD B:GLU230 3.4 45.2 1.0 C B:GLU230 3.5 35.5 1.0 CG B:GLU230 3.7 48.8 1.0 OD2 B:ASP15 4.0 34.8 1.0 CA B:GLU230 4.0 32.9 1.0 CB B:GLU230 4.4 33.9 1.0 O B:HOH508 4.5 42.1 1.0 OE1 B:GLU230 4.6 38.8 1.0 N B:HIS231 4.6 42.5 1.0 CA B:HIS231 4.9 50.5 1.0

Calcium binding site 2 out of 3 in the Mycobacterial Hydrolase 2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Mycobacterial Hydrolase 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca302 b:25.9 occ:1.00 OD1 B:ASP101 2.3 31.1 1.0 O B:ASP101 2.4 30.1 1.0 O B:HOH563 2.5 39.3 1.0 C B:ASP101 3.3 27.6 1.0 CG B:ASP101 3.5 36.7 1.0 CA B:ASP101 3.9 28.6 1.0 CB B:ASP101 4.3 27.9 1.0 N B:ALA102 4.4 26.1 1.0 OD2 B:ASP101 4.5 36.9 1.0 CA B:ALA102 4.8 26.7 1.0

Calcium binding site 3 out of 3 in the Mycobacterial Hydrolase 2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Mycobacterial Hydrolase 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca303 b:30.9 occ:0.68 O B:HOH584 2.3 32.7 0.7 O B:HOH579 2.4 40.1 0.7 OE1 B:GLU43 2.5 50.9 1.0 O B:HOH628 3.0 41.6 1.0 OE2 B:GLU43 3.2 61.4 1.0 CD B:GLU43 3.3 51.2 1.0 O B:HOH497 4.4 28.2 1.0 O B:HOH529 4.5 31.0 1.0 O B:HOH532 4.6 32.5 1.0 CG B:GLU43 4.8 32.8 1.0

T.B.Cereija, N.Empadinhas, S.Macedo-Ribeiro, P.J.B.Pereira. Mycobacterial Hydrolase 2 To Be Published.