Structure of PDB 5k9t Chain A Binding Site BS01

Receptor Information
>5k9t Chain A (length=576) Species: 585055 (Escherichia coli 55989) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRTLRRMRKVVNIINAMEPEMEKLSDEELKGKTAEFRARLAAGAVLENLI
PEAFAVVREASKRVFGMRHFDVQLLGGMVLNERCIAEMRTGEGKTLTATL
PAYLNALTGKGVHVVTVNDYLAQRDAENNRPLFEFLGLTVGINLPGMPAP
AKREAYAADITYGTNNEYGFDYLRDNMAFSPAARVQRKLHYALVDEVDSI
LIDEARTPLIISGPAEDSSEMYKRVNKIIPHLIRQEKEDSETFQGEGHFS
VDEKSRQVNLTERGLVLIEELLVKEGIMDEGESLYSPANIMLMHHVTAAL
RAHALFTRDVDYIVKDGEVIIVDEHTGRTMQGRRWSDGLHQAVEAKEGVQ
IQNENQTLASITFQNYFRLYEKLAGMTGTADTEAFEFSSIYKLDTVVVPT
NRPMIRKDLPDLVYMTEAEKIQAIIEDIKERTAKGQPVLVGTISIEKSEL
VSNELTKAGIKHNVLNAKFHANEAAIVAQAGYPAAVTIATNMAGRGTDIV
LGGSWQAEVAALENPTAEQIEKIKADWQVRHDAVLEAGGLHIIGTERHES
RRIDNQLRGRSGRQGDAGSSRFYLSM
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 chain5k9t Chain A Residue 901 [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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PDB5k9t An alternate mode of oligomerization for E. coli SecA.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		M81 R82 F84 Q87 T104 G105 G107 K108 T109
Binding residue
(residue number reindexed from 1)		M67 R68 F70 Q73 T90 G91 G93 K94 T95
Annotation score4
Enzymatic activity
Enzyme Commision number 7.4.2.8: protein-secreting ATPase.
Gene Ontology
Biological Process
GO:0006605 protein targeting
GO:0006886 intracellular protein transport
GO:0017038 protein import
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5k9t, PDBe:5k9t, PDBj:5k9t
PDBsum5k9t
PubMed28924213
UniProtP10408|SECA_ECOLI Protein translocase subunit SecA (Gene Name=secA)

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