Structure of PDB 5kf0 Chain A Binding Site BS02

Receptor Information
>5kf0 Chain A (length=480) Species: 269482 (Burkholderia vietnamiensis G4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHMLKDTYPYYLANEAVYANTDLEVTDKFSGKVATRVALADAQAIDAAI
GAAVDAVKPMRELPAYRRQAVLDHCVARFRERFDELAEALCIEAGKPIND
SRGEVTRLIDTFRVASEEAVRIDGEVLNLEISARAQGYTGYTRRVPIGPC
SFISPFNFPLNLAAHKVAPALAAGCPFVLKPASRTPVGALIIAEVLAETN
LPKGAFSVLPAHRDGADLFTTDERFRLLSFTGSPAVGWALKEKAGKKKVV
LELGGNAAAIVDADQFEQLDYVVDRLAFGAYYQSGQSCIGVQRILVHASL
YDTLRDKLVAKTRSLKMGDPKDPSTFVGPMISESESRRLSGWMDAAVAAG
AKIIAGGKVDGAMFEATLLEDVGREQDLYRKEAFGPVAILEKFDRFDDAL
ARVNDSDFGLQAGVFTDSLTHAQRAWDELEVGGVVINDVPSFRVDNMPYG
GVKDSGLGREGIRYAIEDMTEPRLMVVRRR
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 chain5kf0 Chain A Residue 502 [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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PDB5kf0 Crystal structure of an Aldedhyde dehydrogenase from Burkholderia vietnamiensis
Resolution1.7 Å
Binding residue
(original residue number in PDB)		H-2 H0 E85
Binding residue
(residue number reindexed from 1)		H1 H3 E88
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N154 K177 E249 C285 E379 E457
Catalytic site (residue number reindexed from 1) N157 K180 E252 C288 E382 E460
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008911 lactaldehyde dehydrogenase (NAD+) activity
GO:0016491 oxidoreductase activity
GO:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5kf0, PDBe:5kf0, PDBj:5kf0
PDBsum5kf0
PubMed
UniProtA4JLJ7

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