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 / R_free (%)*	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

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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

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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

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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

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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 27 23:52:28 2024

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