Structure of PDB 1um8 Chain A Binding Site BS01

Receptor Information
>1um8 Chain A (length=327) Species: 85962 (Helicobacter pylori 26695) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LLSYIPAPKELKAVLDNYVIGQEQAKKVFSVAVYNHYKRLSFKEKLKKQD
NQDSNVELEHLEEVELSKSNILLIGPTGSGKTLMAQTLAKHLDIPIAISD
ATSLTVENILTRLLQASDWNVQKAQKGIVFIDEIDKIGEGVQQALLKIVE
GSLVNQIDTSDILFICAGAFDGLAEIIKKRTTQNVLGFTQEKMSKKEQEA
ILHLVQTHDLVTYGLIPELIGRLPVLSTLDSISLEAMVDILQKPKNALIK
QYQQLFKMDEVDLIFEEEAIKEIAQLALERKTGARGLRAIIEDFCLDIMF
DLPKLKGSEVRITKDCVLKQAEPLIIA
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 chain1um8 Chain A Residue 487 [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]
PDB1um8 Crystal Structure of ClpX Molecular Chaperone from Helicobacter pylori
Resolution2.6 Å
Binding residue
(original residue number in PDB)		V93 I94 T151 G152 S153 G154 K155 T156 L157 I351 A395 R396
Binding residue
(residue number reindexed from 1)		V19 I20 T77 G78 S79 G80 K81 T82 L83 I240 A284 R285
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
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:1um8, PDBe:1um8, PDBj:1um8
PDBsum1um8
PubMed14514695
UniProtO25926|CLPX_HELPY ATP-dependent Clp protease ATP-binding subunit ClpX (Gene Name=clpX)

[Back to BioLiP]