Structure of PDB 4s13 Chain F Binding Site BS01

Receptor Information
>4s13 Chain F (length=501) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLNPALEFRDFIQVLKDEDDLIEITEEIDPNLEVGAIMRKAYESHLPAPL
FKNLKGASKDLFSILGCPAGLRSKEKGDHGRIAHHLGLDPKTTIKEIIDY
LLECKEKEPLPPITVPVSSAPCKTHILSEEKIHLQSLPTPYLHVSDGGKY
LQTYGMWILQTPDKKWTNWSIARGMVVDDKHITGLVIKPQHIRQIADSWA
AIGKANEIPFALCFGVPPAAILVSSMPIPEGVSESDYVGAILGESVPVVK
CETNDLMVPATSEMVFEGTLSLTDTHLEGPFGEMHGYVFKSQGHPCPLYT
VKAMSYRDNAILPVSNPGLCTDETHTLIGSLVATEAKELAIESGLPILDA
FMPYEAQALWLILKVDLKGLQALKTTPEEFCKKVGDIYFRTKVGFIVHEI
ILVADDIDIFNFKEVIWAYVTRHTPVADQMAFDDVTSFPLAPFVSQSSRS
KTMKGGKCVTNCIFRQQYERSFDYITCNFEKGYPKGLVDKVNENWKRYGY
K
Ligand information
Ligand ID4VP
InChIInChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2
InChIKeyFUGYGGDSWSUORM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C=Cc1ccc(cc1)O
ACDLabs 12.01Oc1ccc(\C=C)cc1
CACTVS 3.385Oc1ccc(C=C)cc1
FormulaC8 H8 O
Name4-ethenylphenol
ChEMBLCHEMBL349881
DrugBank
ZINCZINC000000895826
PDB chain4s13 Chain F Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4s13 Structure and Mechanism of Ferulic Acid Decarboxylase (FDC1) from Saccharomyces cerevisiae.
Resolution2.348 Å
Binding residue
(original residue number in PDB)		I189 E285 I330
Binding residue
(residue number reindexed from 1)		I187 E283 I328
Annotation score5
Enzymatic activity
Enzyme Commision number 4.1.1.102: phenacrylate decarboxylase.
Gene Ontology
Molecular Function
GO:0016831 carboxy-lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0033494 ferulate metabolic process
GO:0046281 cinnamic acid catabolic process
GO:1901067 ferulate catabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4s13, PDBe:4s13, PDBj:4s13
PDBsum4s13
PubMed25862228
UniProtQ03034|FDC1_YEAST Ferulic acid decarboxylase 1 (Gene Name=FDC1)

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