Structure of PDB 7k2t Chain A Binding Site BS01

Receptor Information
>7k2t Chain A (length=374) Species: 224324 (Aquifex aeolicus VF5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GIRVFDVWKKYKYYKKPQDRLKEIIFRKPFHEELWVLKGINLEIEKGEVL
GIVGPNGAGKSTLLKVITGVTEPDKGFVERSGKVVGLLELGTGFNYELSG
LENIYVNASLLGLSRREIDEKLESIIEFSELDDFINKPLKTYSSGMIMRL
AFSIAIHTEPECFIIDQALAVGDAHFQQKCFRKLKEHKQKGGSIIFVSHD
MNAVKILCDRAILLHKGEIIEEGSPETVTQAYYKLMASLENGNFKAVIKE
VRLKSEHGYTNNFPSGDTLFIELDVEAKEDLQDVVAGILIRDRFGQDIFG
INTYLMEKKVELKKGKYLFTFKMPLNLAPGKYTLTVALHKWIDNVCNFEV
NGFKKEQFVGVCYLPTEFNYRKIP
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 chain7k2t Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7k2t Cryo-EM structure of the full-length WzmWzt ABC transporter required for lipid-linked O antigen transport.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		Y13 N56 G57 G59 K60 S61 T62
Binding residue
(residue number reindexed from 1)		Y13 N56 G57 G59 K60 S61 T62
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:0140359 ABC-type transporter activity
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7k2t, PDBe:7k2t, PDBj:7k2t
PDBsum7k2t
PubMed33443152
UniProtO67181

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