Structure of PDB 1ksf Chain X Binding Site BS02

Receptor Information
>1ksf Chain X (length=714) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLNQELELSLNMAFARAREHRHEFMTVEHLLLALLSNPSAREALEACSVD
LVALRQELEAFIEQTTPVLPASEEERDTQPTLSFQRVLQRAVFHVQSSGR
NEVTGANVLVAIFSEQESQAAYLLRKHEVSRLDVVNFISHGTRLENFTTN
LNQLARVGGIDPLIGREKELERAIQVLCRRRKNNPLLVGESGVGKTAIAE
GLAWRIVQGDVPEVMADCTIYSLDIGAGTKYRGDFEKRFKALLKQLEQDT
NSILFIDEIHTIIGAGAASGGQVDAANLIKPLLSSGKIRVIGSTTYQEFS
NIFEKDRALARRFQKIDITEPSIEETVQIINGLKPKYEAHHDVRYTAKAV
RAAVELAVKYINDRHLPDKAIDVIDEAGARARLMPVSKRKKTVNVADIES
VVARIARIPEKSVSQSDRDTLKNLGDRLKMLVFGQDKAIEALTEAIKMAR
AGLGHEHKPVGSFLFAGPTGVGKTEVTVQLSKALGIELLRFDMSEYMERH
TVSRLIGAPPGYVGFDQGGLLTDAVIKHPHAVLLLDEIEKAHPDVFNILL
QVMDNGTLTDNNGRKADFRNVVLVMTTNAGVRNSTDAMEEIKKIFTPEFR
NRLDNIIWFDHLSTDVIHQVVDKFIVELQVQLDQKGVSLEVSQEARNWLA
EKGYDRAMGARPMARVIQDNLKKPLANELLFGSLVDGGQVTVALDKEKNE
LTYGFQSAQKHKAE
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 chain1ksf Chain X Residue 780 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1ksf Crystal structure of ClpA, an HSP100 chaperone and regulator of ClpAP protease
Resolution2.6 Å
Binding residue
(original residue number in PDB)		L188 I189 G217 G219 K220 T221 A222 I399
Binding residue
(residue number reindexed from 1)		L163 I164 G192 G194 K195 T196 A197 I371
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004176 ATP-dependent peptidase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006508 proteolysis
GO:0006515 protein quality control for misfolded or incompletely synthesized proteins
GO:0006979 response to oxidative stress
GO:0034605 cellular response to heat
GO:0043335 protein unfolding
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0009368 endopeptidase Clp complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1ksf, PDBe:1ksf, PDBj:1ksf
PDBsum1ksf
PubMed12205096
UniProtP0ABH9|CLPA_ECOLI ATP-dependent Clp protease ATP-binding subunit ClpA (Gene Name=clpA)

[Back to BioLiP]