Structure of PDB 8ahq Chain D Binding Site BS01

Receptor Information
>8ahq Chain D (length=78) Species: 1961 (Streptomyces virginiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPAPVARALREELARTLYCEPGDIDDEASFNTLGLDSILGVEFVAFVNQT
YGLDEKAGILYDHPSLAALSRHVAGRAA
Ligand information
Ligand IDPNS
InChIInChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1
InChIKeyJDMUPRLRUUMCTL-VIFPVBQESA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)(CO[P](O)(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCS
ACDLabs 10.04O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O
OpenEye OEToolkits 1.5.0CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O
OpenEye OEToolkits 1.5.0CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O
CACTVS 3.341CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCS
FormulaC11 H23 N2 O7 P S
Name4'-PHOSPHOPANTETHEINE
ChEMBL
DrugBankDB03912
ZINC
PDB chain8ahq Chain D Residue 7001 [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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PDB8ahq Decrypting the programming of beta-methylation in virginiamycin M biosynthesis.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D6870 S6871
Binding residue
(residue number reindexed from 1)		D36 S37
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0031177 phosphopantetheine binding

View graph for
Molecular Function
External links
PDB RCSB:8ahq, PDBe:8ahq, PDBj:8ahq
PDBsum8ahq
PubMed36899003
UniProtA4PHN0

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