Structure of PDB 3l4p Chain A Binding Site BS03

Receptor Information
>3l4p Chain A (length=907) Species: 879 (Megalodesulfovibrio gigas) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIQKVITVNGIEQNLFVDAEALLSDVLRQQLGLTGVKVGCEQGQCGACSV
ILDGKVVRACVTKMKRVADGAQITTIEGVGQPENLHPLQKAWVLHGGAQC
GFCSPGFIVSAKGLLDTNADPSREDVRDWFQKHRNACRCTGYKPLVDAVM
DAAAVINGKKPETDLEFKMPADGRIWGSKYPRPTAVAKVTGTLDYGADLG
LKMPAGTLHLAMVQAKVSHANIKGIDTSEALTMPGVHSVITHKDVKGKNR
ITGLITFPTNKGDGWDRPILCDEKVFQYGDCIALVCADSEANARAAAEKV
KVDLEELPAYMSGPAAAAEDAIEIHPGTPNVYFEQPIVKGEDTGPIFASA
DVTVEGDFYVGRQPHMPIEPDVAFAYMGDDGKCYIHSKSIGVHLHLYMIA
PGVGLEPDQLVLVANPMGGTFGYKFSPTSEALVAVAAMATGRPVHLRYNY
QQQQQYTGKRSPWEMNVKFAAKKDGTLLAMESDWLVDHGPYSEFGDLLTL
RGAQFIGAGYNIPNIRGLGRTVATNHVWGSAFRGYGAPQSMFASECLMDM
LAEKLGMDPLELRYKNAYRPGDTNPTGQEPEVFSLPDMIDQLRPKYQAAL
EKAQKESTATHKKGVGISIGVYGSGLDGPDASEAWAELNADGTITVHTAW
EDHGQGADIGCVGTAHEALRPMGVAPEKIKFTWPNTATTPNSGPSGGSRQ
QVMTGNAIRVACENLLKACEKPGGGYYTYDELKAADKPTKITGNWTASGA
THCDAVTGLGKPFVVYMYGVFMAEVTVDVATGQTTVDGMTLMADLGSLCN
QLATDGQIYGGLAQGIGLALSEDFEDIKKHATLVGAGFPFIKQIPDKLDI
VYVNHPRPDGPFGASGVGELPLTSPHAAIINAIKSATGVRIYRLPAYPEK
VLEALKA
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3l4p Chain A Residue 913 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3l4p Correlating EPR and X-ray structural analysis of arsenite-inhibited forms of aldehyde oxidoreductase.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		E899 E903
Binding residue
(residue number reindexed from 1)		E899 E903
Annotation score1
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).
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:3l4p, PDBe:3l4p, PDBj:3l4p
PDBsum3l4p
PubMed17139522
UniProtQ46509|MOP_MEGGA Aldehyde oxidoreductase (Gene Name=mop)

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