Structure of PDB 7f22 Chain A Binding Site BS01

Receptor Information
>7f22 Chain A (length=368) Species: 1377 (Aerococcus viridans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EYNAPSEIKYIDVVNTYDLEEEASKVVPHGGFNYIAGASGDEWTKRANDR
AWKHKLLYPRLAQDVEAPDTSTEILGHKIKAPFIMAPIAAHGLAHTTKEA
GTARAVSEFGTIMSISAYSGATFEEISEGLNGGPRWFQIYMAKDDQQNRD
ILDEAKSDGATAIILTADSTVSGNRDRDVKNKFVYPFGMPIVQRYLRGTA
EGMSLNNIYGASKQKISPRDIEEIAAHSGLPVFVKGIQHPEDADMAIKRG
ASGIWVSNHGARQLYEAPGSFDTLPAIAERVNKRVPIVFDSGVRRGEHVA
KALASGADVVALGRPVLFGLALGGWQGAYSVLDYFQKDLTRVMQLTGSQN
VEDLKGLDLFDNPYGYEY
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 chain7f22 Chain A Residue 801 [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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PDB7f22 Dynamic interactions in the l-lactate oxidase active site facilitate substrate binding at pH4.5.
Resolution1.41 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)		I35 P87 I88 A89 S116 Q138 Y140 T166 K235 H259 G260 R262 D290 S291 G292 R294 G313 R314
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.3.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004459 L-lactate dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7f22, PDBe:7f22, PDBj:7f22
PDBsum7f22
PubMed34214876
UniProtQ44467|LOX_AERVM L-lactate oxidase

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