Molybdenum in PDB 4usa: Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Trans-Cinnamaldehyde

Enzymatic activity of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Trans-Cinnamaldehyde

All present enzymatic activity of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Trans-Cinnamaldehyde:
1.2.99.7;

Protein crystallography data

The structure of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Trans-Cinnamaldehyde, PDB code: 4usa was solved by H.D.Correia, M.J.Romao, T.Santos-Silva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	123.97 / 1.13
*Space group*	P 6₁ 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	143.143, 143.143, 161.954, 90.00, 90.00, 120.00
*R / R_free (%)*	10.165 / 12.172

Other elements in 4usa:

The structure of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Trans-Cinnamaldehyde also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Iron	(Fe)	4 atoms
Chlorine	(Cl)	2 atoms

Molybdenum Binding Sites:

The binding sites of Molybdenum atom in the Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Trans-Cinnamaldehyde (pdb code 4usa). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total only one binding site of Molybdenum was determined in the Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Trans-Cinnamaldehyde, PDB code: 4usa:

Molybdenum binding site 1 out of 1 in 4usa

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Molybdenum Binding Sites List in 4usa

Molybdenum binding site 1 out of 1 in the Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Trans-Cinnamaldehyde

Mono view

Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Trans-Cinnamaldehyde within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mo921 b:16.2 occ:0.50	MO	A:PCD921	0.0	16.2	0.5
	OM2	A:PCD921	1.8	20.0	0.5
	OR1	A:PCD921	1.9	14.0	0.5
	OM1	A:PCD921	1.9	17.0	0.5
	S7'	A:PCD921	2.4	9.2	1.0
	S8'	A:PCD921	2.6	12.1	1.0
	C7'	A:PCD921	3.4	7.7	1.0
	C8'	A:PCD921	3.4	9.0	1.0
	OE2	A:GLU869	3.9	8.7	1.0
	CA	A:GLY422	3.9	7.7	1.0
	CA	A:GLY696	4.0	8.8	1.0
	O	A:HOH3121	4.2	14.1	1.0
	CD	A:GLU869	4.2	8.0	1.0
	N	A:GLY697	4.3	7.6	1.0
	O	A:SER695	4.3	8.9	1.0
	N	A:ARG533	4.4	6.9	1.0
	N	A:GLY422	4.5	7.1	1.0
	CA	A:ARG533	4.5	6.9	1.0
	CD2	A:PHE425	4.6	10.9	0.5
	CB	A:ALA531	4.7	9.5	1.0
	C	A:GLY696	4.7	8.1	1.0
	CG	A:GLU869	4.7	7.9	1.0
	OE1	A:GLU869	4.7	8.4	1.0
	O	A:PHE421	4.8	7.6	1.0
	C	A:PHE421	4.8	7.2	1.0
	C6'	A:PCD921	4.8	7.3	1.0
	CE1	A:HIS653	4.8	7.8	1.0
	C9'	A:PCD921	4.9	8.2	1.0
	CE2	A:PHE425	5.0	12.0	0.5

Reference:

H.D.Correia, J.Marangon, C.D.Brondino, J.J.G.Moura, M.J.Romao, P.J.Gonzalez, T.Santos-Silva. Aromatic Aldehydes at the Active Site of Aldehyde Oxidoreductase From Desulfovibrio Gigas: Reactivity and Molecular Details of the Enzyme-Substrate and Enzyme- Product Interaction. J.Biol.Inorg.Chem. 2014.
ISSN: ESSN 1432-1327
PubMed: 25261288
DOI: 10.1007/S00775-014-1196-4

Page generated: Sun Oct 6 16:13:48 2024

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