Calcium in PDB 4oll: Camp-Binding Acyltransferase From Mycobacterium Smegmatis

The structure of Camp-Binding Acyltransferase From Mycobacterium Smegmatis, PDB code: 4oll was solved by M.Podobnik, K.Rebolj, S.S.Visweswariah, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.11 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.305, 82.750, 105.514, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 26.3

The structure of Camp-Binding Acyltransferase From Mycobacterium Smegmatis also contains other interesting chemical elements:

Mercury

(Hg)

1 atom

The binding sites of Calcium atom in the Camp-Binding Acyltransferase From Mycobacterium Smegmatis (pdb code 4oll). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Camp-Binding Acyltransferase From Mycobacterium Smegmatis, PDB code: 4oll:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Camp-Binding Acyltransferase From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Camp-Binding Acyltransferase From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:22.1 occ:0.65 CD A:ARG186 3.0 42.0 1.0 O A:HOH513 3.1 21.5 1.0 N A:ARG186 3.2 25.8 1.0 NH1 A:ARG186 3.5 40.4 1.0 CB A:ARG186 3.7 26.2 1.0 CB A:ASP92 3.7 23.3 1.0 CG A:ARG186 3.7 30.1 1.0 NE A:ARG186 3.8 35.9 1.0 CA A:ARG186 4.0 25.4 1.0 CZ A:ARG186 4.0 37.9 1.0 NH1 A:ARG112 4.0 25.1 1.0 OD2 A:ASP92 4.1 22.5 1.0 C A:VAL185 4.1 31.8 1.0 CA A:VAL185 4.2 29.4 1.0 CG A:ASP92 4.3 21.9 1.0 O A:SER184 4.4 43.8 1.0 O A:ARG186 4.5 25.6 1.0 CG1 A:VAL185 4.6 31.7 1.0 C A:ARG186 4.8 27.4 1.0 CA A:ASP92 4.9 24.9 1.0 CB A:VAL185 5.0 31.4 1.0

Calcium binding site 2 out of 2 in the Camp-Binding Acyltransferase From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Camp-Binding Acyltransferase From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:80.8 occ:1.00 O A:HOH577 3.3 48.2 1.0 CD1 A:LEU159 4.0 32.7 1.0 CD A:ARG156 4.2 35.2 1.0 O A:HOH582 4.3 59.9 1.0 NE A:ARG156 4.3 33.9 1.0 CB A:ALA137 4.4 33.5 1.0 O A:HOH667 4.4 53.9 1.0 CG2 A:ILE140 4.4 41.9 1.0 CG A:PRO142 4.4 43.8 1.0 CD A:PRO142 4.4 41.8 1.0 CD2 A:LEU214 4.4 60.6 1.0 O A:ILE140 4.7 43.1 1.0 O A:ALA213 4.8 62.1 1.0 O A:ALA137 4.8 34.5 1.0 CB A:ILE140 4.9 39.2 1.0 CA A:ALA137 4.9 37.5 1.0

M.Podobnik, N.Siddiqui, K.Rebolj, S.Nambi, F.Merzel, S.S.Visweswariah. Allostery and Conformational Dynamics in Camp-Binding Acyltransferases. J.Biol.Chem. V. 289 16588 2014.
ISSN: ISSN 0021-9258
PubMed: 24748621
DOI: 10.1074/JBC.M114.560086