Structure of PDB 6og1 Chain F Binding Site BS02

Receptor Information
>6og1 Chain F (length=571) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKKYTIDLTERAEQGKLDPVIGRDEEIRRTIQVLQRRTKNNPVLIGEPGV
GKTAIVEGLAQRIINGEVPEGLKGRRVLALDMGALVAGAKYRGEFEERLK
GVLNDLAKQEGNVILFIDELHTMDAGNMLKPALARGELHCVGATTLDEYR
QYIEKDAALERRFQKVFVAEPSVEDTIAILRGLKERYELHHHVQITDPAI
VAAATLSHRYIADRQLPDKAIDLIDEAASSIRMQIDSKRLLRNKVTDAEI
AEVLARWTGIPVSRMMESEREKLLRMEQELHHRVIGQNEAVDAVSNAIRR
SRAGLADPNRPIGSFLFLGPTGVGKTELCKALANFMFDSDEAMVRIDMSE
FMEKHSVSRLVGAPPGYVGYEEGGYLTEAVRRRPYSVILLDEVEKAHPDV
FNILLQVLDDGRLTDGQGRTVDFRNTVVIMTSNLGSDLIQERFGELDYAH
MKELVLGVVSHNFRPEFINRIDEVVVFHPLGEQHIASIAQIQLKRLYKRL
EERGYEIHISDEALKLLSENGYDPVYGARPLKRAIQQQIENPLAQQILSG
ELVPGKVIRLEVNEDRIVAVQ
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 chain6og1 Chain F 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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PDB6og1 Structural basis for substrate gripping and translocation by the ClpB AAA+ disaggregase.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		G608 T612 E613 I774 Q778 R815
Binding residue
(residue number reindexed from 1)		G322 T326 E327 I488 Q492 R529
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0042802 identical protein binding
Biological Process
GO:0009408 response to heat
GO:0034605 cellular response to heat
GO:0042026 protein refolding
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6og1, PDBe:6og1, PDBj:6og1
PDBsum6og1
PubMed31160557
UniProtP63284|CLPB_ECOLI Chaperone protein ClpB (Gene Name=clpB)

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