Structure of PDB 2o4u Chain X Binding Site BS01

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 1335 [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)		S1009 V1010 A1036 R1037 R1041 Y1058
Binding residue
(residue number reindexed from 1)		S8 V9 A35 R36 R40 Y57
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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