Structure of PDB 6d00 Chain 3 Binding Site BS01

Receptor Information
>6d00 Chain 3 (length=804) Species: 911321 (Calcarisporiella thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSMQFTDKATETLNAAAKYAAENSHVQLHPSHVAVVMLDEENSLFRSILE
KAGGDVVSIERGFKKIMVRQPHSPELAKLLHYAHEHMKKQRDLYIAQDHL
ILALADLPSMAQVLKEGGVTKKSLENAVTHVRGAYEALSKYCIDLTELAA
SGKLDPVIGRDEIISRVIRVLSRRTKNNPCLVGEPGVGKTAIAEGLANRI
VKGDIPSSLQKKVYSLDIGSLLAGAGEFEERLKAVLKELKEAQAIVFIDE
IHTVLGAAIDAANLLKPMLARGELRCIGATTLTEYRQYVEKDPAFERRFQ
LVMVEEPSVTDTISILRGLKERYETHHGVRIADAAIVAAAQLAARYITQR
FMPDKAIDLIDEACANTRVQLDSQPEAIDKLERRHLQLEVEATALEKEKD
AASKQRLQEVRAEMARIQEELRPLKMKYESEKGRLDEIRNLSQRLDELKA
KAEDAERRYDLARAADIRYYAIPDLEKRLAQLQAEKSQADAERADGLLAE
VVGPDQIMEVVSRWTGIPVSNLQRSEKEKLLHMEEYMKQHVVGQDEAIKA
ICDAIRLSRTGLQNRNRPLASFLFLGPTGCGKTLCVKELAAFLFNDPGAI
VRIDMSEYMEKHAVSRLGQLTEAVRRRPYTVVLFDEMEKAHKDVSNLLLQ
ILDDGHCTDSKGRRVDFKNTIIVMTSNLTKNAVLATARRHFANEFINRID
ELIVFNRLTPSNIRKIVDVRLKEVQERLDEKQITLDVDDKAKDLLAQQGF
DPVYGARPLNRLIQHALLTQLSRLLLDGGVRPGEIAKVTVDQEGEIIVIR
NHGI
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 chain6d00 Chain 3 Residue 901 [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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PDB6d00 Structure of Calcarisporiella thermophila Hsp104 Disaggregase that Antagonizes Diverse Proteotoxic Misfolding Events.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		I180 G210 T212 A213 I345 L349 D384
Binding residue
(residue number reindexed from 1)		I158 G188 T190 A191 I315 L319 D354
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0034605 cellular response to heat
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6d00, PDBe:6d00, PDBj:6d00
PDBsum6d00
PubMed30595457
UniProtA0A452CSQ7

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