Chlorine in PDB 8pou: Crystal Structure of the C19G/C120G Variant of the Membrane-Bound [Nife]-Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.65 A Resolution.

Enzymatic activity of Crystal Structure of the C19G/C120G Variant of the Membrane-Bound [Nife]-Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.65 A Resolution.

All present enzymatic activity of Crystal Structure of the C19G/C120G Variant of the Membrane-Bound [Nife]-Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.65 A Resolution.:
1.12.99.6;

Protein crystallography data

The structure of Crystal Structure of the C19G/C120G Variant of the Membrane-Bound [Nife]-Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.65 A Resolution., PDB code: 8pou was solved by A.Schmidt, J.Kalms, P.Scheerer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	47.92 / 1.65
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	73.231, 95.74, 120.005, 90, 90, 90
*R / R_free (%)*	13.2 / 16.1

Other elements in 8pou:

Magnesium	(Mg)	1 atom
Iron	(Fe)	13 atoms
Nickel	(Ni)	1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the C19G/C120G Variant of the Membrane-Bound [Nife]-Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.65 A Resolution. (pdb code 8pou). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the C19G/C120G Variant of the Membrane-Bound [Nife]-Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.65 A Resolution., PDB code: 8pou:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 8pou

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Chlorine Binding Sites List in 8pou

Chlorine binding site 1 out of 3 in the Crystal Structure of the C19G/C120G Variant of the Membrane-Bound [Nife]-Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.65 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 C19G/C120G Variant of the Membrane-Bound [Nife]-Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.65 A Resolution. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
L:Cl703 b:25.5 occ:0.60	O	L:HOH954	2.7	24.7	1.0
	O	L:HOH1167	2.8	23.4	1.0
	NE	L:ARG88	3.0	18.0	1.0
	NH1	L:ARG106	3.2	18.5	1.0
	CD	L:ARG106	3.4	17.4	1.0
	NH2	L:ARG88	3.5	20.8	1.0
	CZ	L:ARG88	3.7	18.1	1.0
	CG	L:ARG88	3.8	16.8	1.0
	CD1	L:ILE98	3.8	21.9	1.0
	CD1	L:LEU84	3.8	16.6	1.0
	CD	L:ARG88	3.9	18.2	1.0
	CZ	L:ARG106	4.1	16.6	1.0
	NE	L:ARG106	4.2	17.5	1.0
	O	L:HOH977	4.3	26.2	1.0
	O	L:HOH1202	4.3	36.4	1.0
	CB	L:ARG106	4.5	16.2	1.0
	O	L:HOH818	4.6	21.6	1.0
	CG	L:ARG106	4.6	16.8	1.0
	O	L:HOH1171	4.6	43.2	1.0
	ND1	L:HIS103	4.8	25.0	1.0
	CG	L:LEU84	4.9	15.9	1.0
	OE1	L:GLU91	5.0	19.5	1.0
	NH1	L:ARG88	5.0	20.3	1.0

Chlorine binding site 2 out of 3 in 8pou

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Chlorine Binding Sites List in 8pou

Chlorine binding site 2 out of 3 in the Crystal Structure of the C19G/C120G Variant of the Membrane-Bound [Nife]-Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.65 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 C19G/C120G Variant of the Membrane-Bound [Nife]-Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.65 A Resolution. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
S:Cl1004 b:37.4 occ:1.00	O	S:HOH1196	3.2	28.2	1.0
	O	S:HOH1160	3.2	35.9	1.0
	N	S:GLY256	3.3	23.4	1.0
	N	S:GLY120	3.3	22.3	1.0
	CB	S:TRP118	3.7	22.7	1.0
	CA	S:GLY120	3.7	20.9	1.0
	CA	S:GLY256	3.8	22.6	1.0
	CD1	S:TRP258	4.1	20.1	1.0
	C	S:TRP118	4.3	21.8	1.0
	O	S:GLY120	4.3	18.9	1.0
	C	S:GLY120	4.3	20.4	1.0
	O	S:SER114	4.3	21.9	1.0
	C	S:ASP255	4.3	23.3	1.0
	O	S:GLU254	4.4	21.9	1.0
	N	S:PHE257	4.4	21.7	1.0
	N	S:GLY119	4.4	21.5	1.0
	C	S:GLY119	4.4	22.1	1.0
	O	S:TRP118	4.5	25.5	1.0
	C	S:GLY256	4.5	22.0	1.0
	NE1	S:TRP258	4.5	21.2	1.0
	CA	S:ASP255	4.6	23.2	1.0
	CD1	S:PHE257	4.6	21.9	1.0
	CA	S:TRP118	4.6	22.7	1.0
	CB	S:SER114	4.6	22.6	1.0
	CA	S:GLY119	4.7	22.1	1.0
	CG	S:TRP118	4.7	25.4	1.0
	OD1	S:ASP255	4.8	25.7	1.0
	O	S:HOH1228	4.8	32.6	1.0
	CE1	S:PHE257	4.8	23.4	1.0
	CD1	S:TRP118	4.9	25.2	1.0
	C	S:SER114	4.9	19.8	1.0

Chlorine binding site 3 out of 3 in 8pou

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Chlorine Binding Sites List in 8pou

Chlorine binding site 3 out of 3 in the Crystal Structure of the C19G/C120G Variant of the Membrane-Bound [Nife]-Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.65 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 C19G/C120G Variant of the Membrane-Bound [Nife]-Hydrogenase From Cupriavidus Necator in the Air-Oxidized State at 1.65 A Resolution. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
S:Cl1005 b:69.3 occ:1.00	O	S:HOH1275	3.2	46.0	1.0
	O	S:HOH1294	3.9	49.6	1.0
	O	S:HOH1308	4.0	54.8	1.0
	CG	S:LYS260	4.1	30.5	1.0
	CD	S:LYS260	4.1	33.5	1.0
	CB	S:LYS260	4.3	27.2	1.0
	NZ	S:LYS260	4.5	38.2	1.0
	O	S:HOH1273	4.7	48.0	1.0
	O	S:HOH1291	4.7	36.5	0.5
	CA	S:LYS260	4.8	25.7	1.0
	CE	S:LYS260	4.9	36.8	1.0
	O	S:LYS260	4.9	33.0	1.0

Reference:

A.Schmidt, J.Kalms, C.Lorent, S.Katz, S.Frielingsdorf, R.M.Evans, J.Fritsch, E.Siebert, C.Teutloff, F.A.Armstrong, I.Zebger, O.Lenz, P.Scheerer. Stepwise Conversion of the Cys 6 [4FE-3S] to A Cys 4 [4FE-4S] Cluster and Its Impact on the Oxygen Tolerance of [Nife]-Hydrogenase. Chem Sci V. 14 11105 2023.
ISSN: ISSN 2041-6520
PubMed: 37860641
DOI: 10.1039/D3SC03739H

Page generated: Thu Dec 28 03:24:14 2023

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