Structure of PDB 8xoo Chain S Binding Site BS01

Receptor Information
>8xoo Chain S (length=587) Species: 67305 (Streptomyces hawaiiensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLVLDQFGRNLTQAARESKLDPVIGREKEIERVMQVLSRRTKNNPVLIGE
PGVGKTAVVEGLAQAIVKGEVPETLKDKHLYTLDLGALVAGSRYRGDFEE
RLKKVLKEIRTRGDIILFIDALHTLVGAAIDAASILKPMLARGELQTIGA
TTLDEYRKHLEKDAALERRFQPIQVAEPSLPHTIEILKGLRDRYEAHHRV
SITDEALVQAATLADRYISDRFLPDKAIDLIDEAGSRMRIRRVAEVDGEL
IAEVLATATGIPVFKLTEEESSRLLRMEDELHKRVIGQVDAVKALSKAIR
RTRAGLKDPKRPGGSFIFAGPSGVGKTELSKALAEFLFGDEDALISLDMS
EFSEKHTVSRLFGSPPGYVGYEEGGQLTEKVRRKPFSVVLFDAVEKAHPD
IFNSLLQILEDGRLTDSQGRVVDFKNTVIIMTTNLGTRDISKGFNLGFAA
QGDTKSNYERMKNKVSDELKQHFRPEFLNRVDDVVVFPQLSQADILKIVD
LMIDKVDERLKDRDMGIELSSSAKELLSKKGYDPVLGARPLRRTIQREIE
DSLSEKILFGELRPGHIVVVDTEGEGETKTFTFRGEE
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 chain8xoo Chain S 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)		D184 P185 V186 G215 G217 K218 T219 A220 I354
Binding residue
(residue number reindexed from 1)		D21 P22 V23 G52 G54 K55 T56 A57 I186
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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