Structure of PDB 5uia Chain A Binding Site BS03

Receptor Information
>5uia Chain A (length=342) Species: 311403 (Rhizobium rhizogenes K84) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TELKGALIGCGFFAVNQMHAWKDVKGAGIAAICDRDPKRLKLVGDQFGIE
RRYGDAAALFADGGFDFVDIATTVQSHRALVEMAAAHKVPAICQKPFAKS
LSDAKAMVRTCENADIPLMVHENFRWQTPIQAVKAVLESGAIGEPFWGRF
SFRSGFDVFSGQPYLAEGERFIIEDLGIHTLDIARFILGDVATLTARTKR
VNPKIKGEDVATILLDHQNGATSIVDVSYATKLGTEPFPETLIDIDGTQG
TIRLSQGYRLEVTGPNGMTISDASPQLLSWASRPWHNIQESVLAIQQHWT
DRLSSGGETSTSGADNLKTFALVEAAYESAANGRTVDIGAML
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 chain5uia Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5uia Crystal Structure of an Oxidoreductase from Agrobacterium radiobacter in Complex with NAD+, R-2,3-dihydroxyisovalerate and Magnesium
Resolution2.18 Å
Binding residue
(original residue number in PDB)		W24 K25 V27 A30
Binding residue
(residue number reindexed from 1)		W21 K22 V24 A27
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.420: D-apiose dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5uia, PDBe:5uia, PDBj:5uia
PDBsum5uia
PubMed
UniProtB9JK80|APSD_RHIR8 D-apiose dehydrogenase (Gene Name=apsD)

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