Structure of PDB 5d4w Chain A Binding Site BS01

Receptor Information
>5d4w Chain A (length=688) Species: 209285 (Thermochaetoides thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QENENLSKFCIDMTAMAREGKIDPVIGREEEIRRVIRILSRRTKNNPVLI
GEPGVGKTTIVEGLAQRIVNADVPDNLAACKLLSLDVGALVAGSKYRGEF
EERMKGVLKEIQESKETIILFVDAIHLLMGAMDAANLLKPMLARGQLHCI
GATTLAEYRKYIEKDAAFERRFQQVLVKEPSISETISILRGLKEKYEVHH
GVNIADAAIVAAANLAARYLTSRRLPDSAVDLIDEAAAAVRVARESQPEI
IDSLERRLRQLKIEIHALSREKDEASKARLAQAKQDAQNVEEELRPLREK
YERERQRGKAIQEAKMKLEALRVKAEDASRMGDHSRAADLQYYAIPEQEA
IIKRLEAEKAAADAALNANGADVGGSMITDVVGPDQINEIVARWTGIPVT
RLKTSEKHMEQALSKIVVGQKEAVQSVSNAIRLQRSGLSNPNQPPSFLFC
GPSGTGKTLLTKALAEFLFDDPKSMIRFDMSEYQERHSLSRMIGAPPGYV
GHDAGGQLTEALRRRPFSILLFDAVEKAAKEVLTVLLQLMDDTDGQGRVV
DAKNCIVVMTSNDPTTRELVMNTLRNYFLPEFLNRISSVVIFNRLTRREI
RKIVDLRIAEIQKRLTDNDRNVIIKVSEEAKDKLGAQGYSPVYGARPLQR
LLEKEVLNRLAILILRGQIREGEVAHVELVDGKVQVLP
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 chain5d4w Chain A Residue 1001 [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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PDB5d4w Structural basis for the disaggregase activity and regulation of Hsp104.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		V197 I198 G199 R200 P225 G226 V227 G228 K229 T230 T231 I367 L371 Y375 D406 V409
Binding residue
(residue number reindexed from 1)		V25 I26 G27 R28 P53 G54 V55 G56 K57 T58 T59 I188 L192 Y196 D227 V230
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:5d4w, PDBe:5d4w, PDBj:5d4w
PDBsum5d4w
PubMed27901467
UniProtG0S4G4

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