Structure of PDB 8xoo Chain R Binding Site BS02

Receptor Information
>8xoo 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 chain8xoo Chain R 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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PDB8xoo Structural insights into the Clp protein degradation machinery.
Resolution1.84 Å
Binding residue
(original residue number in PDB)		I187 G215 G217 K218 T219 A220 L358
Binding residue
(residue number reindexed from 1)		I24 G52 G54 K55 T56 A57 L195
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:8xoo, PDBe:8xoo, PDBj:8xoo
PDBsum8xoo
PubMed38501868
UniProtA0A6G5RIJ6

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