Structure of PDB 4usa Chain A

Receptor sequence

>4usaA (length=907) Species: 879 (Megalodesulfovibrio gigas) [Search protein sequence]

MIQKVITVNGIEQNLFVDAEALLSDVLRQQLGLTGVKVGCEQGQCGACSV
ILDGKVVRACVTKMKRVADGAQITTIEGVGQPENLHPLQKAWVLHGGAQC
GFCSPGFIVSAKGLLDTNADPSREDVRDWFQKHRNACRCTGYKPLVDAVM
DAAAVINGKKPETDLEFKMPADGRIWGSKYPRPTAVAKVTGTLDYGADLG
LKMPAGTLHLAMVQAKVSHANIKGIDTSEALTMPGVHSVITHKDVKGKNR
ITGLITFPTNKGDGWDRPILCDEKVFQYGDCIALVCADSEANARAAAEKV
KVDLEELPAYMSGPAAAAEDAIEIHPGTPNVYFEQPIVKGEDTGPIFASA
DVTVEGDFYVGRQPHMPIEPDVAFAYMGDDGKCYIHSKSIGVHLHLYMIA
PGVGLEPDQLVLVANPMGGTFGYKFSPTSEALVAVAAMATGRPVHLRYNY
QQQQQYTGKRSPWEMNVKFAAKKDGTLLAMESDWLVDHGPYSEFGDLLTL
RGAQFIGAGYNIPNIRGLGRTVATNHVWGSAFRGYGAPQSMFASECLMDM
LAEKLGMDPLELRYKNAYRPGDTNPTGQEPEVFSLPDMIDQLRPKYQAAL
EKAQKESTATHKKGVGISIGVYGSGLDGPDASEAWAELNADGTITVHTAW
EDHGQGADIGCVGTAHEALRPMGVAPEKIKFTWPNTATTPNSGPSGGSRQ
QVMTGNAIRVACENLLKACEKPGGGYYTYDELKAADKPTKITGNWTASGA
THCDAVTGLGKPFVVYMYGVFMAEVTVDVATGQTTVDGMTLMADLGSLCN
QLATDGQIYGGLAQGIGLALSEDFEDIKKHATLVGAGFPFIKQIPDKLDI
VYVNHPRPDGPFGASGVGELPLTSPHAAIINAIKSATGVRIYRLPAYPEK
VLEALKA

3D structure

PDB

4usa Aromatic Aldehydes at the Active Site of Aldehyde Oxidoreductase from Desulfovibrio Gigas: Reactivity and Molecular Details of the Enzyme-Substrate and Enzyme-Product Interaction.

Chain

Resolution

1.13 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	I390 F425 R501 F505 R533 E869 L870
Catalytic site (residue number reindexed from 1)	I390 F425 R501 F505 R533 E869 L870
Enzyme Commision number	1.2.99.7: aldehyde dehydrogenase (FAD-independent).

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	FES	A	V38 C40 E41 G43 C45 G46 C48 R58 C60	V38 C40 E41 G43 C45 G46 C48 R58 C60
BS02	FES	A	C100 G101 C103 C137 C139	C100 G101 C103 C137 C139
BS03	BCT	A	R460 A531 F532 Y535 Q539	R460 A531 F532 Y535 Q539
BS04	MG	A	E899 E903	E899 E903
BS05	PCD	A	Q99 C139 T420 F421 G422 R533 W650 H653 G654 Q655 G656 S695 G696 G697 Q700 Q701 C799 N800 T804 Q807 S865 G866 V867 G868 E869	Q99 C139 T420 F421 G422 R533 W650 H653 G654 Q655 G656 S695 G696 G697 Q700 Q701 C799 N800 T804 Q807 S865 G866 V867 G868 E869
BS06	HCI	A	I255 F425 F494 L497 Y535 L626	I255 F425 F494 L497 Y535 L626

Gene Ontology

	Molecular Function
GO:0005506	iron ion binding
GO:0016491	oxidoreductase activity
GO:0033727	aldehyde dehydrogenase (FAD-independent) activity
GO:0046872	metal ion binding
GO:0051536	iron-sulfur cluster binding
GO:0051537	2 iron, 2 sulfur cluster binding

View graph for
Molecular Function

External links

PDB	RCSB:4usa, PDBe:4usa, PDBj:4usa
PDBsum	4usa
PubMed	25261288
UniProt	Q46509\|MOP_MEGGA Aldehyde oxidoreductase (Gene Name=mop)

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