Structure of PDB 8xon Chain R Binding Site BS04

Receptor Information
>8xon Chain R (length=592) 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
AHHRVSITDEALVQAATLADRYISDRFLPDKAIDLIDEAGSRMRIRRVAE
VDGELIAEVLATATGIPVFKLTEEESSRLLRMEDELHKRVIGQVDAVKAL
SKAIRRTRAGLKDPKRPGGSFIFAGPSGVGKTELSKALAEFLFGDEDALI
SLDMSEFSEKHTVSRLFGSPPGYVGYEEGGQLTEKVRRKPFSVVLFDAVE
KAHPDIFNSLLQILEDGRLTDSQGRVVDFKNTVIIMTTNLGTRDISKGFN
LGFAAQGDTKSNYERMKNKVSDELKQHFRPEFLNRVDDVVVFPQLSQADI
LKIVDLMIDKVDERLKDRDMGIELSSSAKELLSKKGYDPVLGARPLRRTI
QREIEDSLSEKILFGELRPGHIVVVDTEGEGETKTFTFRGEE
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 R 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)		I515 G552 V553 G554 K555 T556 E557 R768
Binding residue
(residue number reindexed from 1)		I291 G328 V329 G330 K331 T332 E333 R544
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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