Structure of PDB 8ye0 Chain A Binding Site BS01

Receptor Information
>8ye0 Chain A (length=288) Species: 449441 (Microcystis aeruginosa NIES-88) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NYANAQLHKSKNLMYMKAHENIFEIEALYPLELFERFMQSQTDCSIDCAC
KIDGDELYPARFSLALYNNQYAEKQIRETIDFFHQVEGRTEVKLNYQQLQ
HFLGADFDFSKVIRNLVGVDARRELADSRVKLYIWMNDYPEKMATAMAWC
DDKKELSTLIVNQEFLVGFDFYFDGRTAIELYISLSSEEFQQTQVWERLA
KVVCAPALRLVNDCQAIQIGVSRANDSKIMYYHTLNPNSFIDNLGNEMAS
RVHAYYRHQPVRSLVVCIPEQELTARSIQRLNMYYCMN
Ligand information
Ligand IDPIS
InChIInChI=1S/H4O6P2S/c1-7(2,3)6-8(4,5)9/h(H2,1,2,3)(H2,4,5,9)/p-1
InChIKeyHWTUHTNZLQJJEV-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0OP(=O)(O)O[P@](=O)(O)[S-]
OpenEye OEToolkits 1.5.0OP(=O)(O)OP(=O)(O)[S-]
CACTVS 3.341O[P](O)(=O)O[P@](O)([S-])=O
CACTVS 3.341O[P](O)(=O)O[P](O)([S-])=O
ACDLabs 10.04[S-]P(=O)(O)OP(=O)(O)O
FormulaH3 O6 P2 S
NameTRIHYDROGEN THIODIPHOSPHATE;
THIOPYROPHOSPHATE
ChEMBL
DrugBankDB02423
ZINC
PDB chain8ye0 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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PDB8ye0 De Novo Discovery of Pseudo-Natural Prenylated Macrocyclic Peptide Ligands.
Resolution1.94 Å
Binding residue
(original residue number in PDB)		R63 R131 K133 Y135 Y184 Y233 N284 Y286
Binding residue
(residue number reindexed from 1)		R61 R129 K131 Y133 Y182 Y231 N282 Y284
Annotation score1
Gene Ontology
Molecular Function
GO:0016740 transferase activity

View graph for
Molecular Function
External links
PDB RCSB:8ye0, PDBe:8ye0, PDBj:8ye0
PDBsum8ye0
PubMed38837490
UniProtA0A551Z2V8

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