Structure of PDB 8dzg Chain E Binding Site BS01

Receptor Information
>8dzg Chain E (length=420) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VEKRASMLLFECAEMRVSDLHIKVYDAEADIYIRKDGDMELLRQIESNTA
HSILASLYNNADDSDATYKINAYQAARIVASKSRLALPPVIQAVRLQFNP
LGQGGRYLIARFLYTDDPTRFGFHHSHAESFSRMRNLPIGINIISGPTGS
GKSTTLKNLLELLYIEKKKKVNIISIEDPPEYEIDGTAQLPITNVETEAQ
RGEEYRKAITAALRSDPDIIMPGEARDAEVINLLFTAAMTGHQVWTSLHA
NNALAIFDRLKDQGVDEFKLTDPELITGLVAQRLVRKLCAQCSITLTEYI
ASGGGISDTDRKIISGHETSVRFPNPRAKKCCRDGYNGRTILAEVIEPDS
KLLRLVAEGKREDAQHYWLTSLHGMALKEHAWLKIISGEICVMDAVNKIS
GIDNITEERKKYLFSRDNEI
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 chain8dzg Chain E Residue 602 [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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PDB8dzg Cryo-EM Structure of the Type IV Pilus Extension ATPase from Enteropathogenic Escherichia coli.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		S264 G265 K266 S267 T268 Y296 R453 I455
Binding residue
(residue number reindexed from 1)		S150 G151 K152 S153 T154 Y182 R339 I341
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016887 ATP hydrolysis activity
Cellular Component
GO:0005886 plasma membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:8dzg, PDBe:8dzg, PDBj:8dzg
PDBsum8dzg
PubMed36326250
UniProtB7UTD6

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