Structure of PDB 8xon Chain O Binding Site BS03

Receptor Information
>8xon Chain O (length=593) Species: 67305 (Streptomyces hawaiiensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLVLDQFGRNLTQAARESKLDPVIGREKEIERVMQVLSRRTKNNPVLIGE
PGVGKTAVVEGLAQAIVKGEVPETLKDKHLYTLDLGALVAGSRYRGDFEE
RLKKVLKEIRTRGDIILFIDALHTLVGAGAAEGAIDAASILKPMLARGEL
QTIGATTLDEYRKHLEKDAALERRFQPIQVAEPSLPHTIEILKGLRDRYE
AHHRVSITDEALVQAATLADRYISDRFLPDKAIDLIDEAGSRMRIRRGVA
EVDGELIAEVLATATGIPVFKLTEEESSRLLRMEDELHKRVIGQVDAVKA
LSKAIRRTRAGLKDPKRPGGSFIFAGPSGVGKTELSKALAEFLFGDEDAL
ISLDMSEFSEKHTVSRLFGSPPGYVGYEEGGQLTEKVRRKPFSVVLFDAV
EKAHPDIFNSLLQILEDGRLTDSQGRVVDFKNTVIIMTTNLGTRDISKGF
NLGFAAQGDTKSNYERMKNKVSDELKQHFRPEFLNRVDDVVVFPQLSQAD
ILKIVDLMIDKVDERLKDRDMGIELSSSAKELLSKKGYDPVLGARPLRRT
IQREIEDSLSEKILFGELRPGHIVVVDTEGEGETKTFTFRGEE
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 chain8xon Chain O 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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PDB8xon Structural insights into the Clp protein degradation machinery.
Resolution1.96 Å
Binding residue
(original residue number in PDB)		V514 S551 G552 V553 G554 K555 T556 E557 I727 R768
Binding residue
(residue number reindexed from 1)		V291 S328 G329 V330 G331 K332 T333 E334 I504 R545
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:8xon, PDBe:8xon, PDBj:8xon
PDBsum8xon
PubMed38501868
UniProtA0A6G5RIJ6

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