Structure of PDB 1e4g Chain T Binding Site BS01

Receptor Information
>1e4g Chain T (length=380) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTVFYTSIDIGSRYIKGLVLGKRDQEWEALAFSSVKSRGLDEGEIKDAIA
FKESVNTLLKELEEQLQKSLRSDFVISFSSVSFEREDTVIERDFGEEKRS
ITLDILSEMQSEALEKLKENGKTPLHIFSKRYLLDDERIVFNPLDMKASK
IAIEYTSIVVPLKVYEMFYNFLQDTVKSPFQLKSSLVSTAEGVLTTPEKD
RGVVVVNLGYNFTGLIAYKNGVPIKISYVPVGMKHVIKDVSAVLDTSFEE
SERLIITHGNAVYNDLKEEEIQYRGLDGNTIKTTTAKKLSVIIHARLREI
MSKSKKFFREVEAKGIPGGVVLTGGGAKIPRINELATEVFKSPVRTGCYA
NSDRPSIINADEVANDPSFAAAFGNVFAVS
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 chain1e4g Chain T Residue 500 [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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PDB1e4g Crystal Structure of the Cell Division Protein Ftsa from Thermotoga Maritima
Resolution2.6 Å
Binding residue
(original residue number in PDB)		G16 S17 R18 Y19 K21 S84 G214 Y215 M238 I242 E257 G337 K340
Binding residue
(residue number reindexed from 1)		G11 S12 R13 Y14 K16 S79 G209 Y210 M233 I237 E252 G325 K328
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0042802 identical protein binding
Biological Process
GO:0043093 FtsZ-dependent cytokinesis
GO:0051301 cell division
Cellular Component
GO:0005886 plasma membrane
GO:0009898 cytoplasmic side of plasma membrane
GO:0032153 cell division site

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1e4g, PDBe:1e4g, PDBj:1e4g
PDBsum1e4g
PubMed11032797
UniProtQ9WZU0

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