Structure of PDB 6pdw Chain B Binding Site BS02

Receptor Information
>6pdw Chain B (length=294) Species: 209285 (Thermochaetoides thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKNERTRIKAQENLRRIRRKQIDLVLNEYENQVALEVVAPEDIPVGFNDI
GGLDDIIEELKETIIYPLTMPHLYKHGGALLAAPSGVLLYGPPGCGKTML
AKAVAHESGASFINLHISTLTEKWYGDSNKIVRAVFSLAKKLQPSIIFID
EIDAVLGGEHEASGMVKAEFMTLWDGLTSTNASGVPNRIVVLGATNRIND
IDEAILRRMPKQFPVPLPGLEQRRRILELVLRGTKRDPDFDLDYIARVTA
GMSGSDIKETCRDAAMAPMREYIRQHRASGKPLSEINPDDVRGI
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain6pdw Chain B 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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PDB6pdw Structure of the AAA protein Msp1 reveals mechanism of mislocalized membrane protein extraction.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		G114 G157 C158 G159 K160 T161 M162 I293 K325
Binding residue
(residue number reindexed from 1)		G51 G94 C95 G96 K97 T98 M99 I226 K258
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:6pdw, PDBe:6pdw, PDBj:6pdw
PDBsum6pdw
PubMed31999255
UniProtG0S654

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