Structure of PDB 8xon Chain O Binding Site BS02

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 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 chain8xon Chain O 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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PDB8xon Structural insights into the Clp protein degradation machinery.
Resolution1.96 Å
Binding residue
(original residue number in PDB)		D184 V186 I187 P214 V216 G217 K218 T219 A220 I354 I396
Binding residue
(residue number reindexed from 1)		D21 V23 I24 P51 V53 G54 K55 T56 A57 I191 I233
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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