Structure of PDB 5ybr Chain A Binding Site BS04

Receptor Information
>5ybr Chain A (length=295) Species: 104259 (Penicillium brasilianum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LVPGSHMPPRLQRFPATASADEIFAAFQEDGCVVIEGFISPEQVARFSQE
VDPAMEKIPVEVTNNNSNDRTKRFSKCVIASPTFRNEIIESDLMHELCDR
VFSKPGEGMGYHFNDNMVIEVQPGAPAQRLHRDQELYPWWNSMGPAGPEC
LINFFCAVTPFTEENGATRLVPGSHLWPEFTQINERDCPQFGKIETVPAI
MQPGDCYLMSGKVIHGAGHNATTTDRRRALALSIIRRELRPMQAFSLSVP
MKLAREMSERSQTMFGFRSSVQHCVDMVHFWGNDGKDIAHHLGLI
Ligand information
Ligand ID8T9
InChIInChI=1S/C26H32O7/c1-14-16-13-22(5)15(2)26(20(30)32-8,19(29)24(7,31)18(22)28)23(16,6)11-12-25(14)10-9-17(27)33-21(25,3)4/h9-10,31H,2,11-13H2,1,3-8H3/t22-,23+,24+,25+,26+/m1/s1
InChIKeyHYHJAMQARBFCBV-RXBPMRIASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC1=C2CC3(C(=C)C(C2(CCC14C=CC(=O)OC4(C)C)C)(C(=O)C(C3=O)(C)O)C(=O)OC)C
CACTVS 3.385COC(=O)[C]12C(=C)[C](C)(CC3=C(C)[C]4(CC[C]13C)C=CC(=O)OC4(C)C)C(=O)[C](C)(O)C2=O
CACTVS 3.385COC(=O)[C@@]12C(=C)[C@@](C)(CC3=C(C)[C@@]4(CC[C@]13C)C=CC(=O)OC4(C)C)C(=O)[C@](C)(O)C2=O
OpenEye OEToolkits 2.0.6CC1=C2C[C@@]3(C(=C)[C@]([C@]2(CC[C@@]14C=CC(=O)OC4(C)C)C)(C(=O)[C@@](C3=O)(C)O)C(=O)OC)C
FormulaC26 H32 O7
Namepreaustinoid A3
ChEMBL
DrugBank
ZINC
PDB chain5ybr Chain B Residue 303 [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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PDB5ybr Structure function and engineering of multifunctional non-heme iron dependent oxygenases in fungal meroterpenoid biosynthesis.
Resolution2.261 Å
Binding residue
(original residue number in PDB)		D276 M277
Binding residue
(residue number reindexed from 1)		D276 M277
Annotation score2
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5ybr, PDBe:5ybr, PDBj:5ybr
PDBsum5ybr
PubMed29317628
UniProtA0A1E1FFL0|PRHA_PENBI Multifunctional dioxygenase prhA (Gene Name=prhA)

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