Structure of PDB 8x61 Chain A Binding Site BS01

Receptor Information
>8x61 Chain A (length=216) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIRFEHVSKAYLGGRQALQGVTFHMQPGEMAFLTGHSGAGKSTLLKLICG
IERPSAGKIWFSGHDITRLKNREVPFLRRQIGMIFQDHHLLMDRTVYDNV
AIPLIIAGASGDDIRRRVSAALDKVGLLDKAKNFPIQLSGGEQQRVGIAR
AVVNKPAVLLADQPTGNLDDALSEGILRLFEEFNRVGVTVLMATHDINLI
SRRSYRMLTLSDGHLH
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain8x61 Chain A Residue 301 [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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PDB8x61 Cryo-EM structure of ATP-bound FtsE(E163Q)X
Resolution3.05 Å
Binding residue
(original residue number in PDB)		Y11 R15 A17 G38 A39 G40 K41 S42 T43 Q86
Binding residue
(residue number reindexed from 1)		Y11 R15 A17 G38 A39 G40 K41 S42 T43 Q86
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0022857 transmembrane transporter activity
Biological Process
GO:0000917 division septum assembly
GO:0009254 peptidoglycan turnover
GO:0043093 FtsZ-dependent cytokinesis
GO:0046677 response to antibiotic
GO:0051301 cell division
GO:0051781 positive regulation of cell division
GO:0055085 transmembrane transport
Cellular Component
GO:0000935 division septum
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0019898 extrinsic component of membrane
GO:0032153 cell division site
GO:0098797 plasma membrane protein complex
GO:1904949 ATPase complex
GO:1990586 divisome complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8x61, PDBe:8x61, PDBj:8x61
PDBsum8x61
PubMed38814940
UniProtP0A9R7|FTSE_ECOLI Cell division ATP-binding protein FtsE (Gene Name=ftsE)

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