Structure of PDB 3wzm Chain B Binding Site BS01

Receptor Information
>3wzm Chain B (length=264) Species: 29856 (Clonostachys rosea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRTRSTISTPNGITWYYEQEGTGPDVVLVPDGLGECQMFDSSVSQIAAQG
FRVTTFDMPGMSRSAKAPPETYTEVTAQKLASYVISVLDALDIKHATVWG
CASGASTVVALLLGYPDRIRNAMCHELPTKLLDHLSNTAVLEDEEISKIL
ANVMLNDVSGGSEAWQAMGDEVHARLHKNYPVWARGYPRTIPPSAPVKDL
EALRGKPLDWTVGAATPTESFFDNIVTATKAGVNIGLLPGMHFPYVSHPD
VFAKYVVETTQKHL
Ligand information
Ligand IDZER
InChIInChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1
InChIKeyMBMQEIFVQACCCH-QBODLPLBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC1CCCC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)O
ACDLabs 12.01O=C1OC(CCCC(=O)CCCC=Cc2cc(O)cc(O)c12)C
OpenEye OEToolkits 1.7.6C[C@H]1CCCC(=O)CCC/C=C/c2cc(cc(c2C(=O)O1)O)O
CACTVS 3.385C[C@H]1CCCC(=O)CCC\C=C\c2cc(O)cc(O)c2C(=O)O1
CACTVS 3.385C[CH]1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1
FormulaC18 H22 O5
Name(3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione;
Zearalenone
ChEMBLCHEMBL454173
DrugBank
ZINCZINC000003881412
PDB chain3wzm Chain B Residue 300 [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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PDB3wzm Crystal structure and substrate-binding mode of the mycoestrogen-detoxifying lactonase ZHD from Clonostachys rosea
Resolution2.48 Å
Binding residue
(original residue number in PDB)		G32 L33 A102 S103 P128 M154 W183 I191 P192 H242
Binding residue
(residue number reindexed from 1)		G32 L33 A102 S103 P128 M154 W183 I191 P192 H242
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
Biological Process
GO:0009636 response to toxic substance

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Molecular Function
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Biological Process
External links
PDB RCSB:3wzm, PDBe:3wzm, PDBj:3wzm
PDBsum3wzm
PubMed
UniProtQ8NKB0|ZHD_BIOOC Zearalenone hydrolase (Gene Name=zhd101)

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