Structure of PDB 7tap Chain F Binding Site BS01

Receptor Information
>7tap Chain F (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)		I58 G61 I62 I65 Y66 E137
Binding residue
(residue number reindexed from 1)		I58 G61 I62 I65 Y66 E137
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
View graph for
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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