Structure of PDB 2iut Chain B Binding Site BS01

Receptor Information
>2iut Chain B (length=408) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPPLSLLDPAEVKQKSYSPESLEAMSRLLEIKLKEFGVEVSVDSVHPGPV
ITRFEIQPAAGVKVSRISNLAKDLARSLAVISVRVVEVIPGKTTVGIEIP
NEDRQMVRFSEVLSSPEYDEHKSTVPLALGHDIGGRPIITDLAKMPHLLV
AGTTGSGKSVGVNAMLLSILFKSTPSEARLIMIDPKMLELSIYEGIPHLL
CPVVTDMKEAANALRWSVAEMERRYRLMAAMGVRNLAGFNRKVKDAEEAG
TPLTDPLFRRESPDDEPPQLSTLPTIVVVVDEFADMMMIVGKKVEELIAR
IAQKARAAGIHLILATQRPSVDVITGLIKANIPTRIAFQVSSKIDSRTIL
DQGGAEQLLGHGDMLYLPPGTGLPIRVHGAFVSDDEVHRVVEAWKLRGAP
DYIEDILA
Ligand information
Ligand IDAGS
InChIInChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1
InChIKeyNLTUCYMLOPLUHL-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
ACDLabs 12.01O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC10 H16 N5 O12 P3 S
NamePHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE
ChEMBLCHEMBL131890
DrugBankDB02930
ZINCZINC000008295128
PDB chain2iut Chain A Residue 1723 [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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PDB2iut Double-Stranded DNA Translocation: Structure and Mechanism of Hexameric Ftsk
Resolution2.25 Å
Binding residue
(original residue number in PDB)		A393 I395 E416 L721 A722
Binding residue
(residue number reindexed from 1)		A79 I81 E102 L407 A408
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003677 DNA binding
GO:0005524 ATP binding

View graph for
Molecular Function
External links
PDB RCSB:2iut, PDBe:2iut, PDBj:2iut
PDBsum2iut
PubMed16916635
UniProtQ9I0M3|FTSK_PSEAE DNA translocase FtsK (Gene Name=ftsK)

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