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Chlorine in PDB 7b2c: Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum Gassed with Xenon

Enzymatic activity of Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum Gassed with Xenon

All present enzymatic activity of Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum Gassed with Xenon:
2.8.4.1;

Protein crystallography data

The structure of Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum Gassed with Xenon, PDB code: 7b2c was solved by T.Wagner, O.N.Lemaire, S.Engilberge, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.90 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 83.791, 147.186, 113.376, 90, 107.2, 90
R / Rfree (%) 17.4 / 20.1

Other elements in 7b2c:

The structure of Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum Gassed with Xenon also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Potassium (K) 17 atoms
Nickel (Ni) 2 atoms
Xenon (Xe) 16 atoms
Sodium (Na) 5 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum Gassed with Xenon (pdb code 7b2c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum Gassed with Xenon, PDB code: 7b2c:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 7b2c

Go back to Chlorine Binding Sites List in 7b2c
Chlorine binding site 1 out of 5 in the Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum Gassed with Xenon


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum Gassed with Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:19.6
occ:1.00
 O B:HOH915 2.8 11.7 1.0
N B:PHE194 3.1 9.6 1.0
O B:HOH917 3.1 29.3 1.0
O B:HOH624 3.3 18.7 1.0
O B:HOH834 3.3 8.6 1.0
CA B:GLU193 3.7 7.8 1.0
C B:GLU193 3.8 9.6 1.0
CB B:GLU193 3.9 7.0 1.0
CB B:PHE194 3.9 7.6 1.0
O B:HOH895 4.0 18.8 1.0
CD2 B:LEU155 4.0 11.3 1.0
O B:HOH846 4.0 13.6 1.0
CA B:PHE194 4.0 9.0 1.0
CG B:PHE194 4.3 8.8 1.0
CB B:ALA205 4.5 11.1 1.0
C B:PHE194 4.5 9.6 1.0
CG B:GLU193 4.6 11.0 1.0
O B:HOH866 4.6 5.9 1.0
CD1 B:PHE194 4.7 9.4 1.0
O B:PHE194 4.7 10.0 1.0
O B:HOH777 4.7 7.1 1.0
CA B:ALA205 4.8 10.7 1.0
CD1 B:LEU155 4.8 14.0 1.0

Chlorine binding site 2 out of 5 in 7b2c

Go back to Chlorine Binding Sites List in 7b2c
Chlorine binding site 2 out of 5 in the Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum Gassed with Xenon


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum Gassed with Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl505

b:26.6
occ:1.00
 O B:HOH965 2.9 51.5 1.0
O B:HOH917 3.1 29.3 1.0
O B:HOH730 3.1 14.8 1.0
CB B:GLU193 3.7 7.0 1.0
CA B:MET195 3.8 9.1 1.0
CB B:MET195 3.9 9.5 1.0
CG B:MET195 4.0 12.9 1.0
CG B:GLU193 4.1 11.0 1.0
CE B:MET195 4.1 12.3 1.0
O B:HOH1005 4.2 36.3 1.0
N B:MET195 4.4 9.2 1.0
N B:GLY196 4.7 12.2 1.0
C B:MET195 4.8 12.1 1.0
CD B:GLU193 4.8 16.9 1.0
O B:HOH895 4.9 18.8 1.0
O B:HOH938 4.9 34.7 1.0
SD B:MET195 4.9 11.5 1.0
C B:PHE194 5.0 9.6 1.0

Chlorine binding site 3 out of 5 in 7b2c

Go back to Chlorine Binding Sites List in 7b2c
Chlorine binding site 3 out of 5 in the Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum Gassed with Xenon


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum Gassed with Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl503

b:16.9
occ:1.00
 O E:HOH681 3.1 14.5 1.0
OG E:SER324 3.1 18.9 1.0
O E:HOH1014 3.2 19.2 1.0
O E:HOH832 3.2 20.7 1.0
O E:HOH872 3.3 22.5 1.0
NH1 E:ARG259 3.5 19.5 1.0
CB E:SER324 3.7 15.8 1.0
CD E:ARG259 4.0 14.2 1.0
CB E:ARG259 4.0 12.7 1.0
CG E:ARG259 4.2 12.3 1.0
CZ E:ARG259 4.6 18.4 1.0
O E:ARG256 4.7 12.0 1.0
O F:HOH1217 4.7 29.3 1.0
NE E:ARG259 4.7 12.7 1.0
N E:TRP260 4.8 13.6 1.0
CA E:SER324 5.0 13.9 1.0
O E:HOH1011 5.0 22.7 1.0

Chlorine binding site 4 out of 5 in 7b2c

Go back to Chlorine Binding Sites List in 7b2c
Chlorine binding site 4 out of 5 in the Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum Gassed with Xenon


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum Gassed with Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl504

b:42.8
occ:1.00
 O E:HOH842 2.9 23.8 1.0
NE2 E:GLN54 3.2 28.8 1.0
CA E:LYS55 3.6 14.5 1.0
CG E:GLN54 3.7 15.4 1.0
N E:LYS55 3.7 13.8 1.0
CD E:GLN54 3.9 22.7 1.0
C E:GLN54 3.9 13.4 1.0
CD E:LYS55 3.9 37.6 1.0
O E:GLN54 4.0 13.4 1.0
CB E:LYS55 4.1 18.5 1.0
CB E:GLN54 4.2 15.0 1.0
O E:HOH909 4.3 32.6 1.0
CB E:SER58 4.4 15.7 1.0
CG E:LYS55 4.5 29.6 1.0
CE E:LYS55 4.7 39.9 1.0
CA E:GLN54 4.7 13.1 1.0
O E:GLY51 4.8 12.9 1.0
OG E:SER58 4.8 17.6 1.0
C E:LYS55 4.9 13.8 1.0

Chlorine binding site 5 out of 5 in 7b2c

Go back to Chlorine Binding Sites List in 7b2c
Chlorine binding site 5 out of 5 in the Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum Gassed with Xenon


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum Gassed with Xenon within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl505

b:22.8
occ:1.00
 O E:HOH979 2.9 23.4 1.0
O E:HOH911 3.0 12.6 1.0
N E:PHE194 3.0 7.6 1.0
O E:HOH705 3.0 26.1 1.0
O E:HOH820 3.3 10.6 1.0
CA E:GLU193 3.7 7.4 1.0
O E:HOH932 3.8 24.4 1.0
C E:GLU193 3.8 7.5 1.0
CB E:PHE194 3.9 8.3 1.0
CB E:GLU193 3.9 9.9 1.0
CD2 E:LEU155 3.9 11.4 1.0
O E:HOH867 4.0 17.2 1.0
CA E:PHE194 4.0 8.5 1.0
CG E:PHE194 4.3 9.1 1.0
CB E:ALA205 4.5 12.4 1.0
C E:PHE194 4.5 10.0 1.0
CD1 E:PHE194 4.6 9.5 1.0
O E:HOH838 4.7 7.5 1.0
CG E:GLU193 4.7 7.9 1.0
CA E:ALA205 4.7 11.2 1.0
O E:PHE194 4.8 9.7 1.0
O E:HOH848 4.8 10.9 1.0
CD1 E:LEU155 4.8 13.4 1.0
CG E:LEU155 5.0 10.4 1.0
CD2 E:PHE194 5.0 10.1 1.0
N E:ALA205 5.0 11.7 1.0

Reference:

C.J.Hahn, O.N.Lemaire, J.Kahnt, S.Engilberge, G.Wegener, T.Wagner. Crystal Structure of A Key Enzyme For Anaerobic Ethane Activation. Science V. 373 118 2021.
ISSN: ESSN 1095-9203
PubMed: 34210888
DOI: 10.1126/SCIENCE.ABG1765
Page generated: Mon Jul 29 18:57:55 2024

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