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Chlorine in PDB 7b1s: Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum at 0.994-A Resolution

Enzymatic activity of Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum at 0.994-A Resolution

All present enzymatic activity of Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum at 0.994-A Resolution:
2.8.4.1;

Protein crystallography data

The structure of Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum at 0.994-A Resolution, PDB code: 7b1s 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) 39.76 / 0.99
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 83.736, 146.927, 113.128, 90, 106.98, 90
R / Rfree (%) 11.2 / 12.8

Other elements in 7b1s:

The structure of Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum at 0.994-A Resolution also contains other interesting chemical elements:

Potassium (K) 4 atoms
Manganese (Mn) 1 atom
Nickel (Ni) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum at 0.994-A Resolution (pdb code 7b1s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum at 0.994-A Resolution, PDB code: 7b1s:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 7b1s

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Chlorine binding site 1 out of 6 in the Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum at 0.994-A Resolution


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 at 0.994-A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:11.6
occ:1.00
 OG B:SER324 3.1 9.3 1.0
O B:HOH1215 3.1 15.0 1.0
O B:HOH1012 3.2 16.2 1.0
O B:HOH821 3.2 7.9 1.0
O B:HOH1067 3.4 13.6 1.0
NH1 B:ARG259 3.6 10.0 1.0
CB B:SER324 3.7 8.7 1.0
CD B:ARG259 3.8 9.1 1.0
CB B:ARG259 4.1 7.2 1.0
CG B:ARG259 4.2 8.1 1.0
CZ B:ARG259 4.6 10.1 1.0
O C:HOH1474 4.6 31.7 1.0
NE B:ARG259 4.7 9.7 1.0
O B:ARG256 4.8 7.8 1.0
N B:TRP260 4.8 6.3 1.0
CA B:SER324 5.0 8.1 1.0

Chlorine binding site 2 out of 6 in 7b1s

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Chlorine binding site 2 out of 6 in the Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum at 0.994-A Resolution


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 at 0.994-A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:8.4
occ:0.71
 O B:HOH1208 3.0 26.6 0.7
O B:HOH1102 3.0 14.9 1.0
O B:HOH898 3.1 13.3 1.0
N B:PHE194 3.1 4.5 1.0
O B:HOH1232 3.2 9.5 0.7
O B:HOH1007 3.3 7.8 1.0
O B:HOH1119 3.7 29.2 0.6
CA B:GLU193 3.7 4.2 1.0
C B:GLU193 3.9 4.3 1.0
CB B:GLU193 3.9 4.9 1.0
CB B:PHE194 4.0 4.7 1.0
CD2 B:LEU155 4.0 8.5 1.0
CA B:PHE194 4.1 4.7 1.0
CB B:ALA205 4.2 7.6 1.0
CG B:PHE194 4.4 4.8 1.0
O B:HOH1040 4.6 14.8 1.0
CA B:ALA205 4.6 6.4 1.0
CG B:GLU193 4.6 5.7 1.0
O B:HOH1060 4.6 6.4 1.0
C B:PHE194 4.7 4.7 1.0
O B:HOH922 4.7 6.4 1.0
CD1 B:PHE194 4.7 4.8 1.0
N B:ALA205 4.8 6.1 1.0
O B:PHE194 4.9 5.6 1.0
CD1 B:LEU155 4.9 8.8 1.0
O B:HOH701 5.0 7.4 0.6
N B:GLU193 5.0 4.3 1.0

Chlorine binding site 3 out of 6 in 7b1s

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Chlorine binding site 3 out of 6 in the Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum at 0.994-A Resolution


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 at 0.994-A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl303

b:31.6
occ:1.00
 O C:HOH1547 2.6 40.0 1.0
N C:GLY49 3.1 15.9 1.0
NH1 C:ARG46 3.2 14.9 1.0
CD1 C:LEU48 3.7 15.6 1.0
NH2 C:ARG46 3.7 14.8 1.0
CA C:GLY49 3.8 16.8 1.0
CZ C:ARG46 3.9 14.9 1.0
CA C:LEU48 4.1 13.2 1.0
C C:LEU48 4.1 15.1 1.0
O C:HOH1571 4.4 39.2 1.0
CD1 C:LEU40 4.5 11.4 1.0
CG C:LEU48 4.5 14.3 1.0
C C:GLY49 4.6 17.2 1.0
N C:GLU50 4.8 17.2 0.5
N C:GLU50 4.8 16.7 0.5
CB C:LEU48 4.8 13.4 1.0
O C:HIS47 4.8 12.3 1.0
O C:GLU50 5.0 17.3 0.5
O C:GLU50 5.0 17.7 0.5

Chlorine binding site 4 out of 6 in 7b1s

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Chlorine binding site 4 out of 6 in the Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum at 0.994-A Resolution


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 at 0.994-A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl503

b:10.4
occ:1.00
 OG E:SER324 3.1 7.8 1.0
O E:HOH925 3.2 14.5 1.0
O E:HOH1111 3.2 14.3 1.0
O E:HOH733 3.2 7.4 1.0
O E:HOH993 3.4 13.4 0.9
NH1 E:ARG259 3.5 8.9 1.0
CB E:SER324 3.7 7.3 1.0
CD E:ARG259 3.8 7.8 1.0
O E:HOH814 3.9 24.3 0.7
CB E:ARG259 4.1 6.1 1.0
CG E:ARG259 4.2 7.1 1.0
CZ E:ARG259 4.5 8.1 1.0
NE E:ARG259 4.6 8.3 1.0
O F:HOH702 4.7 30.5 1.0
O E:ARG256 4.8 7.3 1.0
N E:TRP260 4.8 4.9 1.0
O E:HOH1140 4.9 36.5 1.0

Chlorine binding site 5 out of 6 in 7b1s

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Chlorine binding site 5 out of 6 in the Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum at 0.994-A Resolution


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 at 0.994-A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl504

b:8.8
occ:0.68
 O E:HOH811 3.0 12.2 1.0
N E:PHE194 3.1 4.7 1.0
O E:HOH1003 3.2 14.8 1.0
O E:HOH1127 3.3 10.5 0.7
O E:HOH888 3.3 7.4 1.0
CA E:GLU193 3.6 4.5 1.0
O E:HOH1027 3.7 36.9 0.3
C E:GLU193 3.9 4.8 1.0
CB E:GLU193 3.9 5.5 1.0
CB E:PHE194 4.0 5.0 1.0
CA E:PHE194 4.0 4.9 1.0
CD2 E:LEU155 4.1 8.0 1.0
CB E:ALA205 4.2 7.7 1.0
CG E:PHE194 4.4 4.8 1.0
O E:HOH910 4.5 10.4 0.7
CG E:GLU193 4.6 5.7 1.0
C E:PHE194 4.6 4.8 1.0
CA E:ALA205 4.6 6.1 1.0
O E:HOH958 4.6 6.2 1.0
CD1 E:PHE194 4.7 4.7 1.0
O E:HOH835 4.7 6.4 1.0
O E:PHE194 4.8 5.5 1.0
N E:ALA205 4.9 6.0 1.0
CD1 E:LEU155 4.9 8.2 1.0
N E:GLU193 5.0 4.6 1.0
O E:HOH601 5.0 6.7 0.6

Chlorine binding site 6 out of 6 in 7b1s

Go back to Chlorine Binding Sites List in 7b1s
Chlorine binding site 6 out of 6 in the Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum at 0.994-A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Ethyl-Coenzyme M Reductase From Candidatus Ethanoperedens Thermophilum at 0.994-A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl402

b:31.7
occ:1.00
 O F:HOH760 3.0 39.0 1.0
NH1 F:ARG46 3.1 13.4 1.0
N F:GLY49 3.1 15.2 1.0
NH2 F:ARG46 3.6 13.7 1.0
CD1 F:LEU48 3.7 16.0 1.0
CZ F:ARG46 3.8 13.5 1.0
CA F:GLY49 3.9 16.2 1.0
CA F:LEU48 4.1 12.6 1.0
C F:LEU48 4.1 13.9 1.0
CD1 F:LEU40 4.3 10.7 1.0
CG F:LEU48 4.5 14.7 1.0
C F:GLY49 4.6 16.3 1.0
N F:GLU50 4.8 15.6 0.5
N F:GLU50 4.8 15.2 0.5
O F:HIS47 4.8 11.8 1.0
CB F:LEU48 4.9 13.5 1.0
O F:GLU50 5.0 16.3 0.5
O F:GLU50 5.0 16.6 0.5

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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