Structure of PDB 2v7y Chain A Binding Site BS01

Receptor Information
>2v7y Chain A (length=504) Species: 235909 (Geobacillus kaustophilus HTA426) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSKIIGIDLGTTNSCVAVLEGGEVKVIPNPEGNRTTPSVVAFKNGERLVG
EVAKRQAITNPNTIISIKRHMGTDYKVEIEGKQYTPQEISAIILQYLKSY
AEDYLGEPVTRAVITVPAYFNDAQRQATKDAGRIAGLEVERIINEPTAAA
LAYGLDKEEDQTILVYDLGGGTFDVSILELGDGVFEVKATAGDNHLGGDD
FDQVIIDYLVNQFKQEHGIDLSKDKMALQRLKDAAEKAKKELSGVTQTQI
SLPFISANENGPLHLEMTLTRAKFEELSAHLVERTMGPVRQALQDAGLTP
ADIDKVILVGGSTRIPAVQEAIKRELGKEPHKGVNPDEVVAIGAAIQGGV
IAGEVKDVVLLDVTPLSLGIETMGGVFTKLIERNTTIPTSKSQVFTTAAD
NQTTVDIHVLQGERPMAADNKSLGRFQLTGIPPAPRGVPQIEVTFDIDAN
GIVHVRAKDLGTNKEQSITIKSSSGLSEEEIQRMIKEAEENAEADRKRKE
AAEL
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 chain2v7y Chain A Residue 1505 [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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PDB2v7y Crystal Structures of the 70-kDa Heat Shock Proteins in Domain Disjoining Conformation.
Resolution2.37 Å
Binding residue
(original residue number in PDB)		T12 N13 G169 G170 G198 E236 K239 K240 S243 G310 G311 S312 R314
Binding residue
(residue number reindexed from 1)		T12 N13 G169 G170 G198 E236 K239 K240 S243 G310 G311 S312 R314
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D8 K68 E145 D167
Catalytic site (residue number reindexed from 1) D8 K68 E145 D167
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0051082 unfolded protein binding
GO:0140662 ATP-dependent protein folding chaperone
Biological Process
GO:0006457 protein folding

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2v7y, PDBe:2v7y, PDBj:2v7y
PDBsum2v7y
PubMed18400763
UniProtQ5KWZ7|DNAK_GEOKA Chaperone protein DnaK (Gene Name=dnaK)

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