Structure of PDB 8ufy Chain A Binding Site BS01

Receptor Information
>8ufy Chain A (length=358) Species: 1377 (Aerococcus viridans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YNAPSEIKYIDVVNTYDLEEEASKVVPHGGFNYIAGASGDEWTKRANDRA
WKHKLLYPRLAQDVEAPDTSTEILGHKIKAPFIMAPIAAHGLAHTTKEAG
TARAVSEFGTIMSISAYSGATFEEISEGLNGGPRWFQIYMAKDDQQNRDI
LDEAKSDGATAIILTADSTVSGNRDRDVKNKFVYPFGMPIVQRYLRGTNI
YGASKISPRDIEEIAAHSGLPVFVKGIQHPEDADMAIKAGASGIWVSNHG
ARQLYEAPGSFDTLPAIAERVNKRVPIVFDSGVRRGEHVAKALASGADVV
ALGRPVLFGLALGGWQGAYSVLDYFQKDLTRVMQLTGSQNVEDLKGLDLF
DNPYGYEY
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 chain8ufy 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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PDB8ufy An engineered lactate oxidase based electrochemical sensor for continuous detection of biomarker lactic acid in human sweat and serum
Resolution1.2 Å
Binding residue
(original residue number in PDB)		I41 P93 I94 A95 S122 Q144 Y146 T172 K241 H265 G266 R268 D296 S297 G298 R300 G319 R320
Binding residue
(residue number reindexed from 1)		I34 P86 I87 A88 S115 Q137 Y139 T165 K225 H249 G250 R252 D280 S281 G282 R284 G303 R304
Annotation score1
External links
PDB RCSB:8ufy, PDBe:8ufy, PDBj:8ufy
PDBsum8ufy
PubMed39149041
UniProtQ44467|LOX_AERVM L-lactate oxidase

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