Structure of PDB 8qfg Chain A Binding Site BS02

Receptor Information
>8qfg Chain A (length=329) Species: 56110 (Oscillatoria acuminata PCC 6304) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKRLTYISKFSRPLSGDEIEAIGRISSQKNQQANVTGVLLCLDGIFFQIL
EGEAEKIDRIYERILADERHTDILCLKSEVEVQERMFPDWSMQTINLDEN
TDFLIRPIKVLLQTLTESHRILEKYTQPSIFKIISQGTNPLNIRPKAVEK
IVFFSDIVSFSTFAEKLPVEEVVSVVNSYFSVCTAIITRQGGEVTKFIGD
CVMAYFDGDCADQAIQASLDILMELEILRNSAPEGSPLRVLYSGIGLAKG
KVIEGNIGSELKRDYTILGDAVNVAARLEALTRQLSQALVFSSEVKNSAT
KSWNFIWLTDSELKGKSESIDIYSIDNEM
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 chain8qfg Chain A Residue 402 [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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PDB8qfg Light-induced Trpin/Metout switching during BLUF domain activation in ATP-bound photoactivatable adenylate cyclase OaPAC
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D156 I157 S159 F160 S161 I198 D200 R283
Binding residue
(residue number reindexed from 1)		D156 I157 S159 F160 S161 I198 D200 R283
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004016 adenylate cyclase activity
GO:0005524 ATP binding
GO:0009882 blue light photoreceptor activity
GO:0046872 metal ion binding
GO:0071949 FAD binding
Biological Process
GO:0006171 cAMP biosynthetic process
GO:0009190 cyclic nucleotide biosynthetic process
GO:0009785 blue light signaling pathway
GO:0035556 intracellular signal transduction

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8qfg, PDBe:8qfg, PDBj:8qfg
PDBsum8qfg
PubMed38185322
UniProtK9TLZ5

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