Calcium in PDB 3sqg: Crystal Structure of A Methyl-Coenzyme M Reductase Purified From Black Sea Mats

All present enzymatic activity of Crystal Structure of A Methyl-Coenzyme M Reductase Purified From Black Sea Mats:
2.8.4.1;

The structure of Crystal Structure of A Methyl-Coenzyme M Reductase Purified From Black Sea Mats, PDB code: 3sqg was solved by S.Shima, M.Krueger, T.Weinert, U.Demmer, R.K.Thauer, U.Ermler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.58 / 2.10
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	128.860, 412.490, 165.510, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 20.6

The structure of Crystal Structure of A Methyl-Coenzyme M Reductase Purified From Black Sea Mats also contains other interesting chemical elements:

Nickel	(Ni)	3 atoms
Chlorine	(Cl)	1 atom

The binding sites of Calcium atom in the Crystal Structure of A Methyl-Coenzyme M Reductase Purified From Black Sea Mats (pdb code 3sqg). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of A Methyl-Coenzyme M Reductase Purified From Black Sea Mats, PDB code: 3sqg:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of A Methyl-Coenzyme M Reductase Purified From Black Sea Mats


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 A Methyl-Coenzyme M Reductase Purified From Black Sea Mats within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca587 b:24.7 occ:1.00 O A:THR232 2.6 21.2 1.0 O D:THR232 2.6 21.5 1.0 O D:ARG230 2.8 21.9 1.0 O A:ARG230 2.9 22.6 1.0 O A:ALA229 2.9 20.9 1.0 O D:ALA229 3.0 21.9 1.0 C D:ARG230 3.5 19.9 1.0 C A:ARG230 3.6 22.3 1.0 O D:HOH685 3.6 21.7 1.0 C A:THR232 3.6 22.6 1.0 O A:HOH681 3.6 18.8 1.0 C D:THR232 3.7 20.3 1.0 CA A:ARG230 3.8 23.1 1.0 CA D:ARG230 3.9 21.1 1.0 C A:ALA229 4.0 22.3 1.0 C D:ALA229 4.0 21.3 1.0 N A:THR232 4.2 21.5 1.0 O A:HOH662 4.2 19.1 1.0 N D:THR232 4.2 20.6 1.0 O D:HOH607 4.3 20.6 1.0 NZ D:LYS110 4.3 19.4 1.0 N A:ARG230 4.4 18.4 1.0 NZ A:LYS110 4.4 21.8 1.0 CA A:THR232 4.4 22.0 1.0 N D:ARG230 4.5 19.2 1.0 C A:GLN231 4.5 22.5 1.0 C D:GLN231 4.5 21.8 1.0 CA D:THR232 4.5 18.3 1.0 N A:ASP233 4.5 22.2 1.0 N D:GLN231 4.5 19.7 1.0 N A:GLN231 4.6 20.7 1.0 CA A:ASP233 4.6 23.6 1.0 N D:ASP233 4.6 19.9 1.0 CA D:ASP233 4.7 19.2 1.0 O D:GLN231 4.8 20.3 1.0 O A:GLN231 4.9 21.7 1.0 CA D:GLN231 5.0 20.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of A Methyl-Coenzyme M Reductase Purified From Black Sea Mats


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 A Methyl-Coenzyme M Reductase Purified From Black Sea Mats within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca583 b:22.8 occ:0.50 O G:THR232 2.5 27.9 1.0 O G:ARG230 2.7 20.8 1.0 O G:ALA229 3.2 23.5 1.0 O G:HOH638 3.3 27.4 1.0 C G:ARG230 3.4 21.5 1.0 C G:THR232 3.6 25.9 1.0 CA G:ARG230 3.9 22.3 1.0 N G:THR232 4.0 25.7 1.0 C G:GLN231 4.2 25.3 1.0 C G:ALA229 4.3 24.9 1.0 CA G:THR232 4.3 25.9 1.0 N G:GLN231 4.4 24.3 1.0 O G:GLN231 4.5 24.7 1.0 O G:HOH605 4.5 22.9 1.0 N G:ARG230 4.6 23.9 1.0 N G:ASP233 4.6 23.6 1.0 CA G:GLN231 4.7 24.8 1.0 CA G:ASP233 4.8 21.5 1.0 NZ G:LYS110 4.9 28.9 1.0

S.Shima, M.Krueger, T.Weinert, U.Demmer, J.Kahnt, R.K.Thauer, U.Ermler. Structure of A Methyl-Coenzyme M Reductase From Black Sea Mats That Oxidize Methane Anaerobically. Nature V. 481 98 2011.
ISSN: ISSN 0028-0836
PubMed: 22121022
DOI: 10.1038/NATURE10663