Structure of PDB 2fsi Chain B Binding Site BS01

Receptor Information
>2fsi Chain B (length=748) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSRNDRTLRRMRKVVNIINAMEPEMEKLSDEELKGKTAEFRARLEKGEVL
ENLIPEAFAVVREASKRVFGMRHFDVQLLGGMVLNERCIAEMRTGEGKTL
TATLPAYLNALTGKGVHVVTVNDYLAQRDAENNRPLFEFLGLTVGINLPG
MPAPAKREAYAADITYGTNNEYGFDYLRDNMAFSPEERVQRKLHYALVDE
VDSILIDEARTPLIISGPAEDSSEMYKRVNKIIPHLIRQVLIEELLVKEG
IMDEGESLYSPANIMLMHHVTAALRAHANENQTLASITFQNYFRLYEKLA
GMTGTADTEAFEFSSIYKLDTVVVPTNRPMIRKDLPDLVYMTEAEKIQAI
IEDIKERTAKGQPVLVGTISIEKSELVSNELTKAGIKHNVLNAKFHANEA
AIVAQAGYPAAVTIATNMAGRGTDIVLGGSWQAEVAALENPTAEQIEKIK
ADWQVRHDAVLEAGGLHIIGTERHESRRIDNQLRGRSGRQGDAGSSRFYL
SMEDALMRIFASDRVSGMMRKLGMKPGEAIEHPWVTKAIANAQRKVESRN
FDIRKQLLEYDDVANDQRRAIYSQRNELLDVSDVSETINSIREDVFKATI
DAYIPPQSLEEMWDIPGLQERLKNDFDLDLPIAEWLDKEPELHEETLRER
ILAQSIEVYQRKEEVVGAEMMRHFEKGVMLQTLDSLWKEHLAAMDYLRQG
IHLRGYAQKDPKQEYKRESFSMFAAMLESLKYEVISTLSKVQVRMPEE
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 chain2fsi Chain B 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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PDB2fsi Structure of dimeric SecA, the Escherichia coli preprotein translocase motor.
Resolution2.11 Å
Binding residue
(original residue number in PDB)		M81 R82 F84 Q87 T104 G105 G107 K108 T109 R509
Binding residue
(residue number reindexed from 1)		M71 R72 F74 Q77 T94 G95 G97 K98 T99 R421
Annotation score4
Enzymatic activity
Enzyme Commision number 7.4.2.8: protein-secreting ATPase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008270 zinc ion binding
GO:0008564 protein-exporting ATPase activity
GO:0042802 identical protein binding
GO:0043021 ribonucleoprotein complex binding
GO:0043022 ribosome binding
GO:0046872 metal ion binding
GO:0070678 preprotein binding
Biological Process
GO:0006605 protein targeting
GO:0006612 protein targeting to membrane
GO:0006886 intracellular protein transport
GO:0009306 protein secretion
GO:0015031 protein transport
GO:0017038 protein import
GO:0043952 protein transport by the Sec complex
GO:0061077 chaperone-mediated protein folding
GO:0065002 intracellular protein transmembrane transport
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0009898 cytoplasmic side of plasma membrane
GO:0016020 membrane
GO:0031522 cell envelope Sec protein transport complex

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2fsi, PDBe:2fsi, PDBj:2fsi
PDBsum2fsi
PubMed17229438
UniProtP10408|SECA_ECOLI Protein translocase subunit SecA (Gene Name=secA)

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