Structure of PDB 2iuu Chain B Binding Site BS01

Receptor Information
>2iuu 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 IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain2iuu Chain B 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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PDB2iuu Double-Stranded DNA Translocation: Structure and Mechanism of Hexameric Ftsk
Resolution2.9 Å
Binding residue
(original residue number in PDB)		T468 G469 G471 K472 S473 V474 H675 G693 A694 F695
Binding residue
(residue number reindexed from 1)		T154 G155 G157 K158 S159 V160 H361 G379 A380 F381
Annotation score4
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:2iuu, PDBe:2iuu, PDBj:2iuu
PDBsum2iuu
PubMed16916635
UniProtQ9I0M3|FTSK_PSEAE DNA translocase FtsK (Gene Name=ftsK)

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