Structure of PDB 6pe0 Chain D Binding Site BS03

Receptor Information
>6pe0 Chain D (length=293) Species: 209285 (Thermochaetoides thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DYEKNERTRIKAQENLRRIRRKQLVLNEYENQVALEVVAPEDIPVGFNDI
GGLDDIIEELKETIIYPLTMPHLYKHGGALLAAPSGVLLYGPPGCGKTML
AKAVAHESGASFINLHISTLTEKWYGDSNKIVRAVFSLAKKLQPSIIFID
QIDAVLGTRRSGEHEASGMVKAEFMTLWDGLTSTNASGVPNRIVVLGATN
RINDIDEAILRRMPKQFPVPLPGLEQRRRILELVLRGTKRDPDFDLDYIA
RVTAGMSGSDIKETCRDAAMAPMREYIRQHRASGKPLSEINPD
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain6pe0 Chain D Residue 501 [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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PDB6pe0 Structure of the AAA protein Msp1 reveals mechanism of mislocalized membrane protein extraction.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		G114 P156 G157 C158 G159 K160 T161 G321 K325
Binding residue
(residue number reindexed from 1)		G51 P93 G94 C95 G96 K97 T98 G258 K262
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0140570 extraction of mislocalized protein from mitochondrial outer membrane
Cellular Component
GO:0005741 mitochondrial outer membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6pe0, PDBe:6pe0, PDBj:6pe0
PDBsum6pe0
PubMed31999255
UniProtG0S654

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