Structure of PDB 5zui Chain A Binding Site BS02

Receptor Information
>5zui Chain A (length=686) Species: 209285 (Thermochaetoides thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLSKFCIDMTAMAREGKIDPVIGREEEIRRVIRILSRRTKNNPVLIGEPG
VGKTTIVEGLAQRIVNADVPDNLAACKLLSLDVGALVAGSKYRGEFEERM
KGVLKEIQESKETIILFVDEIHLLMGLKPMLARGQLHCIGATTLAEYRKY
IEKDAAFERRFQQVLVKEPSITETISILRGLKEKYEVHHGVNIADAAIVA
AANLAARYLTSRRLPDSAVDLIDEAAAAVRVARESQPEIIDSLERRLRQL
KIEIHALSREKDEASKARLAQAKQDAQNVEEELRPLREKYERERQRGKAI
QEAKMKLEALRVKAEDASRMGDHSRAADLQYYAIPEQEAIIKRLEAEKAA
ADSMITDVVGPDQINEIVARWTGIPVTRLKTSEKEKLLHMEQALSKIVVG
QKEAVQSVSNAIRLQRSGLSNPNQPPSFLFCGPSGTGKTLLTKALAEFLF
DDPKSMIRFDMSEYQERHSLSRMIGAPPGYVGHDAGGQLTEALRRRPFSI
LLFDEVEKAAKEVLTVLLQLMDDGRITDGQGRVVDAKNCIVVMTSNLGAE
YLSRAIDPTTRELVMNTLRNYFLPEFLNRISSIVIFNRLTRREIRKIVDL
RIAEIQKRLTDNDRNVTIKVSDEAKDKLGAQGYSPVYGARPLQRLLEKEV
LNRLAILILRGQIREGEVACVELVDGKVQVLPNHPD
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 chain5zui Chain A Residue 902 [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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PDB5zui Split conformation of Chaetomium thermophilum Hsp104 disaggregase.
Resolution2.701 Å
Binding residue
(original residue number in PDB)		V439 G475 T476 G477 K478 T479 L480 I644 A686
Binding residue
(residue number reindexed from 1)		V399 G435 T436 G437 K438 T439 L440 I597 A639
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity

View graph for
Molecular Function
External links
PDB RCSB:5zui, PDBe:5zui, PDBj:5zui
PDBsum5zui
PubMed33651974
UniProtG0S4G4

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