Structure of PDB 5ybt Chain A Binding Site BS04

Receptor Information
>5ybt Chain A (length=293) Species: 104259 (Penicillium brasilianum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LVPGSHMPPRLQRFPATASADEIFAAFQEDGCVVIEGFISPEQVARFSQE
VDPAMEKIPVEVTNSNDRTKRFSKCVIASPTFRNEIIESDLMHELCDRVF
SKPGEGMGYHFNDNMVIEVQPGAPAQRLHRDQELYPWWNSMGPAGPECLI
NFFCAVTPFTEENGATRLVPGSHLWPEFTQINERDCPQFGKIETVPAIMQ
PGDCYLMSGKVIHGAGHNATTTDRRRALALSIIRRELRPVQAFSLSVPMK
LAREMSERSQTMFGFRSSVQHCVDMVHFWGNDGKDIAHHLGLI
Ligand information
Ligand ID8TC
InChIInChI=1S/C26H38O6/c1-14-23(5)13-16-22(4)11-10-17(27)21(2,3)15(22)9-12-24(16,6)26(14,20(30)32-8)19(29)25(7,31)18(23)28/h15-17,27,31H,1,9-13H2,2-8H3/t15-,16+,17-,22-,23-,24+,25+,26+/m1/s1
InChIKeyNNHHTFDBMMPBSL-JFPRQHOTSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6C[C@@]12CC[C@H](C([C@H]1CC[C@]3([C@H]2C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C)O
CACTVS 3.385COC(=O)[C]12C(=C)[C](C)(C[CH]3[C]4(C)CC[CH](O)C(C)(C)[CH]4CC[C]13C)C(=O)[C](C)(O)C2=O
CACTVS 3.385COC(=O)[C@@]12C(=C)[C@@](C)(C[C@H]3[C@]4(C)CC[C@@H](O)C(C)(C)[C@H]4CC[C@]13C)C(=O)[C@](C)(O)C2=O
OpenEye OEToolkits 2.0.6CC1(C2CCC3(C(C2(CCC1O)C)CC4(C(=C)C3(C(=O)C(C4=O)(C)O)C(=O)OC)C)C)C
FormulaC26 H38 O6
Nameberkeleyone A
ChEMBLCHEMBL1911627
DrugBank
ZINCZINC000073169571
PDB chain5ybt Chain B Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ybt Structure function and engineering of multifunctional non-heme iron dependent oxygenases in fungal meroterpenoid biosynthesis.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		D276 M277
Binding residue
(residue number reindexed from 1)		D274 M275
Annotation score3
Enzymatic activity
Enzyme Commision number 1.14.11.-
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0016114 terpenoid biosynthetic process
GO:0140874 paraherquonin biosynthetic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5ybt, PDBe:5ybt, PDBj:5ybt
PDBsum5ybt
PubMed29317628
UniProtA0A1E1FFL0|PRHA_PENBI Multifunctional dioxygenase prhA (Gene Name=prhA)

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