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Chlorine in PDB 6g94: Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B

Enzymatic activity of Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B

All present enzymatic activity of Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B:
1.12.99.6;

Protein crystallography data

The structure of Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B, PDB code: 6g94 was solved by A.Volbeda, J.C.Fontecilla-Camps, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 124.410, 165.030, 206.220, 90.00, 90.00, 90.00
R / Rfree (%) 22.2 / 25.3

Other elements in 6g94:

The structure of Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B also contains other interesting chemical elements:

Nickel (Ni) 4 atoms
Magnesium (Mg) 4 atoms
Iron (Fe) 50 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B (pdb code 6g94). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B, PDB code: 6g94:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6g94

Go back to Chlorine Binding Sites List in 6g94
Chlorine binding site 1 out of 4 in the Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl604

b:41.3
occ:0.70
CD1 L:PHE212 3.3 39.1 1.0
NH2 L:ARG266 3.4 41.0 1.0
CE1 L:PHE212 3.6 39.2 1.0
NE L:ARG266 3.8 38.9 1.0
CZ L:ARG266 4.1 40.3 1.0
CG L:PHE212 4.4 37.9 1.0
CZ L:PHE212 4.7 38.8 1.0
CB L:PHE212 4.9 37.7 1.0

Chlorine binding site 2 out of 4 in 6g94

Go back to Chlorine Binding Sites List in 6g94
Chlorine binding site 2 out of 4 in the Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Cl604

b:35.9
occ:0.70
CD1 M:PHE212 3.3 37.2 1.0
NH2 M:ARG266 3.4 40.4 1.0
CE1 M:PHE212 3.5 37.2 1.0
NE M:ARG266 3.8 40.1 1.0
CZ M:ARG266 4.1 40.7 1.0
CG M:PHE212 4.3 37.4 1.0
CZ M:PHE212 4.7 36.6 1.0
CB M:PHE212 4.8 38.2 1.0

Chlorine binding site 3 out of 4 in 6g94

Go back to Chlorine Binding Sites List in 6g94
Chlorine binding site 3 out of 4 in the Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl604

b:43.8
occ:0.70
NH2 J:ARG266 3.3 44.5 1.0
CD1 J:PHE212 3.4 48.4 1.0
CE1 J:PHE212 3.6 49.9 1.0
NE J:ARG266 3.9 43.5 1.0
CZ J:ARG266 4.0 43.7 1.0
CG J:PHE212 4.4 45.5 1.0
CZ J:PHE212 4.7 49.4 1.0
CB J:PHE212 5.0 42.6 1.0
CB J:ARG266 5.0 43.3 1.0

Chlorine binding site 4 out of 4 in 6g94

Go back to Chlorine Binding Sites List in 6g94
Chlorine binding site 4 out of 4 in the Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of E. Coli Hydrogenase-1 C19G Variant in Complex with Cytochrome B within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl604

b:43.2
occ:0.70
NH2 K:ARG266 3.3 42.3 1.0
CD1 K:PHE212 3.3 40.9 1.0
CE1 K:PHE212 3.5 39.5 1.0
NE K:ARG266 3.7 43.2 1.0
CZ K:ARG266 4.0 42.8 1.0
CG K:PHE212 4.4 40.6 1.0
CZ K:PHE212 4.7 39.7 1.0
CB K:PHE212 4.9 40.9 1.0
CD K:ARG266 5.0 41.4 1.0

Reference:

A.Volbeda, J.M.Mouesca, C.Darnault, M.M.Roessler, A.Parkin, F.A.Armstrong, J.C.Fontecilla-Camps. X-Ray Structural, Functional and Computational Studies of the O2-Sensitive E. Coli Hydrogenase-1 C19G Variant Reveal An Unusual [4FE-4S] Cluster. Chem. Commun. (Camb.) V. 54 7175 2018.
ISSN: ESSN 1364-548X
PubMed: 29888350
DOI: 10.1039/C8CC02896F
Page generated: Sat Jul 12 14:27:55 2025

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