Magnesium in PDB 8pox: Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.6 A Resolution.

Enzymatic activity of Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.6 A Resolution.

All present enzymatic activity of Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.6 A Resolution.:
1.12.99.6;

Protein crystallography data

The structure of Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.6 A Resolution., PDB code: 8pox was solved by J.Kalms, A.Schmidt, P.Scheerer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	74.78 / 1.60
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	73.208, 95.688, 119.84, 90, 90, 90
*R / R_free (%)*	12.7 / 15.6

Other elements in 8pox:

The structure of Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.6 A Resolution. also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Nickel	(Ni)	1 atom
Iron	(Fe)	16 atoms
Sodium	(Na)	3 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.6 A Resolution. (pdb code 8pox). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.6 A Resolution., PDB code: 8pox:

Magnesium binding site 1 out of 1 in 8pox

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Magnesium Binding Sites List in 8pox

Magnesium binding site 1 out of 1 in the Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.6 A Resolution.

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the C19G Variant of the Membrane-Bound [Nife]- Hydrogenase From Cupriavidus Necator in the H2-Reduced State at 1.6 A Resolution. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
L:Mg702 b:18.1 occ:1.00	O	L:HOH809	2.0	16.8	1.0
	O	L:CYS549	2.1	15.5	1.0
	O	L:HOH831	2.2	17.0	1.0
	OE2	L:GLU56	2.2	17.1	1.0
	O	L:HOH828	2.2	16.4	1.0
	NE2	L:HIS603	2.3	15.6	1.0
	CD	L:GLU56	3.1	18.9	1.0
	CE1	L:HIS603	3.2	15.5	1.0
	C	L:CYS549	3.3	15.8	1.0
	CD2	L:HIS603	3.3	15.2	1.0
	OE1	L:GLU56	3.4	20.2	1.0
	N	L:CYS549	3.7	15.7	1.0
	CA	L:CYS549	4.0	16.4	1.0
	OE1	L:GLN548	4.1	21.8	1.0
	OE1	L:GLU347	4.1	19.9	1.0
	OE2	L:GLU347	4.1	17.7	1.0
	NZ	L:LYS400	4.2	19.3	1.0
	CB	L:CYS549	4.3	17.6	1.0
	O	L:HOH836	4.3	19.8	1.0
	O	L:HOH1046	4.4	17.7	1.0
	N	L:VAL550	4.4	15.7	1.0
	ND1	L:HIS603	4.4	15.3	1.0
	CG	L:HIS603	4.5	14.9	1.0
	CG	L:GLU56	4.5	19.3	1.0
	CD	L:LYS400	4.5	20.1	1.0
	CD	L:GLU347	4.5	19.1	1.0
	CE	L:LYS400	4.6	19.5	1.0
	CA	L:VAL550	4.7	15.8	1.0
	C	L:GLN548	4.8	16.6	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: Fri Aug 15 12:42:04 2025

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