Structure of PDB 7zbh Chain F Binding Site BS01

Receptor Information
>7zbh Chain F (length=367) Species: 224326 (Borreliella burgdorferi B31) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ITFKDVAGQEEVKQELREVVEFLKNPKKFEKIGAKIPKGVLLVGSPGTGK
TLLAKAVAGEAGVSFFHMSGSDFVMFVGVGASRVRDLFDNARKNSPCIIF
IDELDAVGRDEREQTLNQLLVEMDGVIVMAATNRPDVLDSALLRPGRFDR
QVTVSLPDIKEREAILNIHSLKTKLSKDINLQVIARATPGASGADLANLI
NEGALIAARNKDMEEARDKILTDRQKLETAYHEAGHALLHYYLEHADPLH
KVTIISINKHQILDKIKICYGGYASEQINLGVTTAGVQNDLMQATSLAKK
MVTEWGMGEEVGPIFLVAYSENTADKVDREVKRILEECLKEASDILLKHK
DQLVKLAKELVLKETLT
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 chain7zbh Chain F Residue 701 [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]
PDB7zbh ATP-dependent zinc metalloprotease FtsH (BB0789) from Borrelia burgdorferi
Resolution3.3 Å
Binding residue
(original residue number in PDB)		P214 G215 G217 K218 T219 L220 I350 H354 G378 A379
Binding residue
(residue number reindexed from 1)		P46 G47 G49 K50 T51 L52 I165 H169 G193 A194
Annotation score5
Enzymatic activity
Enzyme Commision number 3.4.24.-
Gene Ontology
Molecular Function
GO:0004176 ATP-dependent peptidase activity
GO:0004222 metalloendopeptidase activity
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7zbh, PDBe:7zbh, PDBj:7zbh
PDBsum7zbh
PubMed
UniProtO51729

[Back to BioLiP]