Structure of PDB 7tap Chain E Binding Site BS02

Receptor Information
>7tap Chain E (length=159) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTELCPVYAPFFGAIGCASAIIFTSLGAAYGTAKSGVGICATCVLRPDLL
FKNIVPVIMAGIIAIYGLVVSVLVCYSLGQKQALYTGFIQLGAGLSVGLS
GLAAGFAIGIVGDAGVRGSSQQPRLFVGMILILIFAEVLGLYGLIVALLL
NSRATQDVV
Ligand information
Ligand IDKJL
InChIInChI=1S/C42H62N2O7S/c1-25(2)20-37(50-42(48)43-11)40-44-34(24-52-40)39-30(7)15-13-14-29(6)38(49-12)33(10)35(45)19-17-26(3)21-28(5)22-32(9)36(46)23-27(4)16-18-31(8)41(47)51-39/h13-15,17-19,21-25,30,32-33,35-39,45-46H,16,20H2,1-12H3,(H,43,48)/b15-13+,19-17+,26-21-,27-23+,28-22-,29-14+,31-18+/t30-,32-,33-,35+,36+,37-,38+,39-/m0/s1
InChIKeyCUYVVUGLFUIZAZ-YYRKZZGWSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CNC(=O)O[C@@H](CC(C)C)c1scc(n1)[C@H]2OC(=O)/C(=C/C/C(=C/[C@@H](O)[C@@H](C)\C=C(C)/C=C(C)\C=C\[C@@H](O)[C@H](C)[C@H](OC)\C(=C\C=C\[C@@H]2C)C)C)C
CACTVS 3.385CNC(=O)O[CH](CC(C)C)c1scc(n1)[CH]2OC(=O)C(=CCC(=C[CH](O)[CH](C)C=C(C)C=C(C)C=C[CH](O)[CH](C)[CH](OC)C(=CC=C[CH]2C)C)C)C
OpenEye OEToolkits 2.0.7C[C@H]1/C=C/C=C(/[C@H]([C@H]([C@@H](/C=C/C(=C\C(=C/[C@@H]([C@@H](/C=C(/C/C=C(/C(=O)O[C@@H]1c2csc(n2)[C@H](CC(C)C)OC(=O)NC)\C)\C)O)C)\C)/C)O)C)OC)\C
ACDLabs 12.01O=C(OC(CC(C)C)c1nc(cs1)C1OC(=O)C(C)=CCC(C)=CC(O)C(C)C=C(C)C=C(C)C=CC(O)C(C)C(OC)C(C)=CC=CC1C)NC
OpenEye OEToolkits 2.0.7CC1C=CC=C(C(C(C(C=CC(=CC(=CC(C(C=C(CC=C(C(=O)OC1c2csc(n2)C(CC(C)C)OC(=O)NC)C)C)O)C)C)C)O)C)OC)C
FormulaC42 H62 N2 O7 S
NameArchazolid A;
(1S)-1-{4-[(2S,3S,4E,6E,8S,9S,10R,11E,13Z,15Z,17S,18S,19E,22E)-10,18-dihydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxo-1-oxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl}-3-methylbutyl methylcarbamate
ChEMBLCHEMBL241106
DrugBank
ZINCZINC000049946927
PDB chain7tap Chain F Residue 201 [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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PDB7tap Cryo-EM of the Yeast V O Complex Reveals Distinct Binding Sites for Macrolide V-ATPase Inhibitors.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		F135 V138 L139 Y142
Binding residue
(residue number reindexed from 1)		F135 V138 L139 Y142
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015078 proton transmembrane transporter activity
GO:0046961 proton-transporting ATPase activity, rotational mechanism
Biological Process
GO:0006623 protein targeting to vacuole
GO:0006878 intracellular copper ion homeostasis
GO:0006879 intracellular iron ion homeostasis
GO:0006897 endocytosis
GO:0007033 vacuole organization
GO:0007035 vacuolar acidification
GO:0048388 endosomal lumen acidification
GO:0061795 Golgi lumen acidification
GO:1902600 proton transmembrane transport
Cellular Component
GO:0000139 Golgi membrane
GO:0000220 vacuolar proton-transporting V-type ATPase, V0 domain
GO:0000329 fungal-type vacuole membrane
GO:0005773 vacuole
GO:0005774 vacuolar membrane
GO:0016020 membrane
GO:0016471 vacuolar proton-transporting V-type ATPase complex
GO:0033176 proton-transporting V-type ATPase complex
GO:0033177 proton-transporting two-sector ATPase complex, proton-transporting domain
GO:0033179 proton-transporting V-type ATPase, V0 domain

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7tap, PDBe:7tap, PDBj:7tap
PDBsum7tap
PubMed35148071
UniProtP25515|VATL1_YEAST V-type proton ATPase subunit c (Gene Name=VMA3)

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