Structure of PDB 4ciu Chain A Binding Site BS02

Receptor Information
>4ciu Chain A (length=657) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QALKKYTIDLTERAEQGKLDPVIGRDEEIRRTIQVLQRRTKNNPVLIGEP
GVGKTAIVEGLAQRIINGEVPEGLKGRRVLALDMGALVAGEFEERLKGVL
NDLAKQEGNVILFIDALHTMVGDAGNMLKPALARGELHCVGATTLDEYRQ
YIFQKVFVAEPSVEDTIAILRGLKERYELHHHVQITDPAIVAAATLSHRY
IADRQLPDKAIDLIDEAASSIRMQIDSKPEELDRLDRRIIQLKLEQQALM
LDMLNEELSDKERQYSELEEEWKAEKASLSGTQTIKAELEQAKIAIEQAR
RVGDLARMSELQYGKIPELEKQLEAATQLEGKTMRLLRNKVTDAEIAEVL
ARWTGIPVSRMMESEREKLLRMEQELHHRVIGQNEAVDAVSNAIRRSRAG
LADPNRPIGSFLFLGPTGVGKTELCKALANFMFDSDEAMVRIDMSEFMEK
HSVSRLVGAGGYLTEAVRRRPYSVILLDAVEKAHPDVFNILLQVLDDGRL
TDGQGRTVDFRNTVVIMTSNLGSDLIQERFLDYAHMKELVLGVVSHNFRP
EFINRIDEVVVFHPLGEQHIASIAQIQLKRLYKRLEERGYEIHISDEALK
LLSENGYDPVYGARPLKRAIQQQIENPLAQQILSGELVPGKVIRLEVNED
RIVAVQH
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 chain4ciu Chain A 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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PDB4ciu Head-to-Tail Interactions of the Coiled-Coil Domains Regulate Clpb Cooperation with Hsp70 in Protein Disaggregation
Resolution3.5 Å
Binding residue
(original residue number in PDB)		I571 T607 G608 V609 G610 K611 T612 E613 I774 Q778 R815
Binding residue
(residue number reindexed from 1)		I381 T417 G418 V419 G420 K421 T422 E423 I573 Q577 R614
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0009408 response to heat
GO:0042026 protein refolding
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4ciu, PDBe:4ciu, PDBj:4ciu
PDBsum4ciu
PubMed24843029
UniProtP63284|CLPB_ECOLI Chaperone protein ClpB (Gene Name=clpB)

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