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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 3sqg:

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

Calcium Binding Sites:

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 3sqg

Go back to Calcium Binding Sites List in 3sqg
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 3sqg

Go back to Calcium Binding Sites List in 3sqg
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

Reference:

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
Page generated: Sat Dec 12 04:30:32 2020

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