Structure of PDB 8jia Chain B Binding Site BS01

Receptor Information
>8jia Chain B (length=225) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MMITLDHVTKQYKSSARPALDDINVKIDKGEFVFLIGPSGSGKSTFMRLL
LAAETPTSGDVRVSKFHVNKLRGRHVPKLRQVIGCVFQDFRLLQQKTVYD
NVAFALEVIGKRTDAINRVVPEVLETVGLSGKANRLPDELSGGEQQRVAI
ARAFVNRPLVLLADQPTGNLDPETSRDIMDLLERINRTGTTVLMATHDHH
IVDSMRQRVVELSLGRLVRDEQRGV
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 chain8jia Chain B 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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PDB8jia FtsEX/RipC complex
Resolution3.9 Å
Binding residue
(original residue number in PDB)		Y12 S39 G42 K43 S44 T45
Binding residue
(residue number reindexed from 1)		Y12 S39 G42 K43 S44 T45
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0022857 transmembrane transporter activity
GO:0030145 manganese ion binding
Biological Process
GO:0051301 cell division
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8jia, PDBe:8jia, PDBj:8jia
PDBsum8jia
PubMed38044344
UniProtO05779|FTSE_MYCTU Cell division ATP-binding protein FtsE (Gene Name=ftsE)

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