Structure of PDB 2r65 Chain B Binding Site BS01

Receptor Information
>2r65 Chain B (length=249) Species: 210 (Helicobacter pylori) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
INAEKPNVRFKDMAGNEEAKEEVVEIVDFLKYPERYANLGAKIPKGVLLV
GPPGTGKTLLAKAVAGEAHVPFFSMGGSSFIEMFVGLGASRVRDLFETAK
KQAPSIIFIDEIDAIGKNDEREQTLNQLLAEMDGFGSENAPVIVLAATNR
PEILDPALMRPGRFDRQVLVDKPDFNGRVEILKVHIKGVKLANDVNLQEV
AKLTAGLAGADLANIINEAALLAGRNNQKEVRQQHLKEAVERGIAGLEK
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 chain2r65 Chain B Residue 2 [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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PDB2r65 Structural studies on Helicobacter pyloriATP-dependent protease, FtsH
Resolution3.3 Å
Binding residue
(original residue number in PDB)		P212 G213 T214 G215 K216 T217 L218 D269 I350 H354 G378 A379
Binding residue
(residue number reindexed from 1)		P53 G54 T55 G56 K57 T58 L59 D110 I181 H185 G209 A210
Annotation score5
Enzymatic activity
Enzyme Commision number 3.4.24.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity

View graph for
Molecular Function
External links
PDB RCSB:2r65, PDBe:2r65, PDBj:2r65
PDBsum2r65
PubMed18421140
UniProtP71408|FTSH_HELPY ATP-dependent zinc metalloprotease FtsH (Gene Name=ftsH)

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