Structure of PDB 8qfe Chain A Binding Site BS01

Receptor Information
>8qfe Chain A (length=350) 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
KSWNFIWLTDSELKGKSESIDIYSIDNEMTRKSSGGLEIARNIGHYLERV
Ligand information
Ligand IDFMN
InChIInChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKeyFVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
FormulaC17 H21 N4 O9 P
NameFLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBLCHEMBL1201794
DrugBankDB03247
ZINCZINC000003831425
PDB chain8qfe Chain A Residue 401 [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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PDB8qfe Light-induced Trpin/Metout switching during BLUF domain activation in ATP-bound photoactivatable adenylate cyclase OaPAC
Resolution1.5 Å
Binding residue
(original residue number in PDB)		Y6 I22 S26 K29 N30 F46 Q48 I64 D67
Binding residue
(residue number reindexed from 1)		Y6 I22 S26 K29 N30 F46 Q48 I64 D67
Annotation score1
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

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8qfe, PDBe:8qfe, PDBj:8qfe
PDBsum8qfe
PubMed38185322
UniProtK9TLZ5

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