Structure of PDB 6ynx Chain g Binding Site BS01

Receptor Information
>6ynx Chain g (length=256) Species: 5911 (Tetrahymena thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QMGFSSDNPYNKRWEYKWKHSYYTYPRDYEHTEVRKPQDSKDVPPIYFAY
YKDFVDRWLPGMNMWWQRRHRIFDKFNVYFLPGMSLFFYQFADLALGFKI
MAAFPLFLAYTRIRDKTLDPDFKETYLRDMIYQNPEITKYFNEETIHVLD
YEFEYLPGYLCPEKFPEYQNKTWQFFNTDTAQAEGFFKFGDVESGATMTL
KFKTMPIPGKFRYQVGEPFYFYDLRAEIKCDGVYKEVVLVDEKESLKKIR
PFLFLI
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 chain6ynx Chain g Residue 301 [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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PDB6ynx Type III ATP synthase is a symmetry-deviated dimer that induces membrane curvature through tetramerization.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		K47 D151 K153 E154 T155
Binding residue
(residue number reindexed from 1)		K17 D121 K123 E124 T125
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:6ynx, PDBe:6ynx, PDBj:6ynx
PDBsum6ynx
PubMed33093501
UniProtI7M8Q3

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