Structure of PDB 1pn0 Chain A Binding Site BS02

Receptor Information
>1pn0 Chain A (length=652) Species: 5554 (Cutaneotrichosporon cutaneum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKYSESYCDVLIVGAGPAGLMAARVLSEYVRQKPDLKVRIIDKRSTKVYN
GQADGLQCRTLESLKNLGLADKILSEANDMSTIALYNPDENGHIRRTDRI
PDTLPGISRYHQVVLHQGRIERRILDSIAEISDTRIKVERPLIPEKMEID
SSKAEDPEAYPVTMTLRYMSEDESTPLQFGHKTENGLFRSNLQTQEEEDA
NYRLPEGKEAGEIETVHCKYVIGCDGGHSWVRRTLGFEMIGEQTDYIWGV
LDAVPASNFPDIRSRCAIHSAESGSIMIIPRENNLVRFYVQLQATKFTPE
VVIANAKKIFHPYTFDVQQLDWFTAYHIGQRVTEKFSKDERVFIAGDACH
THSPKAGQGMNTSMMDTYNLGWKLGLVLTGRAKRDILKTYEEERQPFAQA
LIDFDHQFSRLFSGRPAKDVADEMGVSMDVFKEAFVKGNEFASGTAINYD
ENLVTDKKSSKQELAKNCVVGTRFKSQPVVRHSEGLWMHFGDRLVTDGRF
RIIVFAGKATDATQMSRIKKFAAYLDSENSVISRYTPKGADRNSRIDVIT
IHSCHRDDIEMHDFPAPALHPKWQYDFIYADCDSWHHPHPKSYQAWGVDE
TKGAVVVVRPDGYTSLVTDLEGTAEIDRYFSGILVEPKEKSGAQTEADWT
KS
Ligand information
Ligand IDIPH
InChIInChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
InChIKeyISWSIDIOOBJBQZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		Oc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)O
FormulaC6 H6 O
NamePHENOL
ChEMBLCHEMBL14060
DrugBankDB03255
ZINCZINC000005133329
PDB chain1pn0 Chain A Residue 6012 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1pn0 High-resolution structure of phenol hydroxylase and correction of sequence errors.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D54 R265 M277 I279 Y289 P364 A366 G367
Binding residue
(residue number reindexed from 1)		D54 R265 M277 I279 Y289 P354 A356 G357
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D54 R281 Y289 P364
Catalytic site (residue number reindexed from 1) D54 R281 Y289 P354
Enzyme Commision number 1.14.13.7: phenol 2-monooxygenase (NADPH).
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0016491 oxidoreductase activity
GO:0016709 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen
GO:0018662 phenol 2-monooxygenase activity
GO:0071949 FAD binding
Biological Process
GO:0009056 catabolic process
GO:0019336 phenol-containing compound catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1pn0, PDBe:1pn0, PDBj:1pn0
PDBsum1pn0
PubMed12925790
UniProtP15245|PHHY_CUTCT Phenol hydroxylase

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