Structure of PDB 8e2l Chain D Binding Site BS02

Receptor Information
>8e2l Chain D (length=461) Species: 8187 (Lates calcarifer) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEDEAQLIKTMFQITKVSNATLKKFGVRLFKPTKSLVFPWFAGPDSSLKG
LKLLSAQNTDTEKVTYNEATVPKISSYYNLFGLTLVGRMDSEVVLTGHEL
DTLAVSQATGLPSVALPRGVSCLPPMLLPYLEQFKRVTLWLGHDIRSWEA
SKIFSRKLGLRRCSLVRPGEDRPCPLEALARGKNLSRIIKTSIPAAHKSI
VSFKQLREDVYGELLNTEQVAGVKWTRFPELNRILKGHRKGELTVFTGPT
GSGKTTFISEVALDLCIQGVNTLWGSFQINNVRLAKIMLTQFAMQRLEEN
LEQYDFWADKFEELPLYFMTFHGQQNIKTVLDTMQHAVYLYDINHVIIDN
LQFMMGQIDKYAVQDHIIGAFRKFATNTSCHVTLIIHPRKEEDDRELQTA
SIFGSAKASQEADNVLILQEKKLVTCPGRRSLQVTKNRFDGDVGIFPLDF
IKSSLTFSAPI
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 chain8e2l Chain D Residue 601 [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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PDB8e2l Structural and dynamic basis of DNA capture and translocation by mitochondrial Twinkle helicase.
Resolution3.51 Å
Binding residue
(original residue number in PDB)		T297 G298 G300 K301 T302 T303 Q325 R481 F501 F508
Binding residue
(residue number reindexed from 1)		T250 G251 G253 K254 T255 T256 Q278 R430 F450 F457
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003678 DNA helicase activity
GO:0003697 single-stranded DNA binding
GO:0005524 ATP binding
GO:0043139 5'-3' DNA helicase activity
Biological Process
GO:0006260 DNA replication

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8e2l, PDBe:8e2l, PDBj:8e2l
PDBsum8e2l
PubMed36400570
UniProtA0A4W6C5C5

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