Structure of PDB 8y3x Chain B Binding Site BS01

Receptor Information
>8y3x Chain B (length=218) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIRFEHVSKAYLGGRQALQGVTFHMQPGEMAFLTGHSGAGKSTLLKLICG
IERPSAGKIWFSGHDITRLKNREVPFLRRQIGMIFQDHHLLMDRTVYDNV
AIPLIIAGASGDDIRRRVSAALDKVGLLDKAKNFPIQLSGGEQQRVGIAR
AVVNKPAVLLADQPTGNLDDALSEGILRLFEEFNRVGVTVLMATHDINLI
SRRSYRMLTLSDGHLHGG
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 chain8y3x 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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PDB8y3x Structural insight into the septal peptidoglycan hydrolysis machinery of bacterial cell division
Resolution3.11 Å
Binding residue
(original residue number in PDB)		S139 G141
Binding residue
(residue number reindexed from 1)		S139 G141
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:8y3x, PDBe:8y3x, PDBj:8y3x
PDBsum8y3x
PubMed38814940
UniProtP0A9R7|FTSE_ECOLI Cell division ATP-binding protein FtsE (Gene Name=ftsE)

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