Structure of PDB 2o4u Chain X Binding Site BS06

Receptor Information
>2o4u Chain X (length=331) Species: 9541 (Macaca fascicularis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALRWGIVSVGLISSDFTAVLQTLPRSEHQVVAVAARDLSRAKEFAQKHDI
PKAYGSYEELAKDPNVEVAYVGTQHPQHKAAVMLCLAAGKAVLCEKPMGV
NAAEVREMVTEARSRGLFLMEAIWTRFFPASEALRSVLAQGTLGDLRVAR
AEFGKNLTHVPRAVDWAQAGGALLDLGIYCVQFISMVFGGQKPEKISVMG
RRHETGVDDTVTVLLQYPGEVHGSFTCSITAQLSNTASVSGTKGMAQLLN
PCWCPTELVVKGEHKEFLLPPVPKNCNFDNGAGMSYEAKHVRECLRKGLK
ESPVIPLVESELLADILEEVRRAIGVTFPQD
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain2o4u Chain X Residue 1341 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2o4u Structures of dimeric dihydrodiol dehydrogenase apoenzyme and inhibitor complex: probing the subunit interface with site-directed mutagenesis.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S1235 T1237 Q1248
Binding residue
(residue number reindexed from 1)		S234 T236 Q247
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.179: D-xylose 1-dehydrogenase (NADP(+), D-xylono-1,5-lactone-forming).
1.3.1.20: trans-1,2-dihydrobenzene-1,2-diol dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0047115 trans-1,2-dihydrobenzene-1,2-diol dehydrogenase activity
GO:0047837 D-xylose 1-dehydrogenase (NADP+) activity
Biological Process
GO:0042843 D-xylose catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2o4u, PDBe:2o4u, PDBj:2o4u
PDBsum2o4u
PubMed17654552
UniProtQ9TQS6|DHDH_MACFA Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase (Gene Name=DHDH)

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