Structure of PDB 5c7y Chain A Binding Site BS01

Receptor Information
>5c7y Chain A (length=266) Species: 29856 (Clonostachys rosea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTRSTISTPNGITWYYEQEGTGPDIVLVPDGLGECQMFDSSVSQIAAQGF
RVTTFDMPGMSRSAKAPAETYTEVTAQKLASYVISILDALDIKHATVWGC
SSGASTVVALLLGYPDRIRNAMCHELPTKLLDHLSNTAVLEDEEISNILA
NVMLNDVSGGSEAWQALGVEVHARLHKNYPVWARGYPRTIPPSAPVQDVE
ALRGKPLDWTVGAATPTESFFDNIVTATKAGVNIGLLPGMHFPYVSHPDV
FAKYVVETTQKHLWNS
Ligand information
Ligand IDZFR
InChIInChI=1S/C17H24O4/c1-13(18)6-5-9-15(19)8-4-2-3-7-14-10-16(20)12-17(21)11-14/h3,7,10-13,18,20-21H,2,4-6,8-9H2,1H3/b7-3+/t13-/m0/s1
InChIKeyTVXRLKRGDWQGQV-MXPWBENCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2C[C@@H](CCCC(=O)CCC/C=C/c1cc(cc(c1)O)O)O
CACTVS 3.385C[C@H](O)CCCC(=O)CCC\C=C\c1cc(O)cc(O)c1
OpenEye OEToolkits 1.9.2CC(CCCC(=O)CCCC=Cc1cc(cc(c1)O)O)O
CACTVS 3.385C[CH](O)CCCC(=O)CCCC=Cc1cc(O)cc(O)c1
ACDLabs 12.01c1c(O)cc(cc1\C=C\CCCC(=O)CCCC(O)C)O
FormulaC17 H24 O4
Name(1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one
ChEMBL
DrugBank
ZINCZINC000584905723
PDB chain5c7y Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5c7y A Case Study of Lactonase ZHD
Resolution1.75 Å
Binding residue
(original residue number in PDB)		D31 G32 S102 L132 L135 M154 W183 Y187 P188 I191 P192 H242 F243
Binding residue
(residue number reindexed from 1)		D30 G31 S101 L131 L134 M153 W182 Y186 P187 I190 P191 H241 F242
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
Biological Process
GO:0009636 response to toxic substance

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5c7y, PDBe:5c7y, PDBj:5c7y
PDBsum5c7y
PubMed
UniProtQ8NKB0|ZHD_BIOOC Zearalenone hydrolase (Gene Name=zhd101)

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