Structure of PDB 4yl2 Chain D Binding Site BS01

Receptor Information
>4yl2 Chain D (length=365) Species: 1377 (Aerococcus viridans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YNAPSEIKYIDVVNTYDLEEEASKVVPHGGFNYIAGASGDEWTKRANDRA
WKHKLLYPRLAQDVEAPDTSTEILGHKIKAPFIMAPIAAHGLAHATKEAG
TARAVSEFGTIMSISAYSGATFEEISEGLNGGPRWFQIYMAKDDQQNRDI
LDEAKGDGATAIILTADSTVSGNRDRDVKNKFVFPFGMPIVQRYLTAEGM
SLNNIYGASKQKISPRDIEEIAAHSGLPVFVKGIQHPEDADMAIKAGASG
IWVSNHGARQLYEAPGSFDTLPAIAERVNKRVPIVFDSGVRRGEHVAKAL
ASGADVVALGRPVLFGLALGGWQGAYSVLDYFQKDLTRVMQLTGSQNVED
LKGLDLFDNPYGYEY
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 chain4yl2 Chain D 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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PDB4yl2 Speeding up the product release: a second-sphere contribution from Tyr191 to the reactivity of l-lactate oxidase revealed in crystallographic and kinetic studies of site-directed variants.
Resolution1.9 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 K232 H256 G257 R259 D287 S288 G289 R291 G310 R311
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S122 Y146 T172 D174 K241 H265
Catalytic site (residue number reindexed from 1) S115 Y139 T165 D167 K232 H256
Enzyme Commision number 1.1.3.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004459 L-lactate dehydrogenase activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4yl2, PDBe:4yl2, PDBj:4yl2
PDBsum4yl2
PubMed26260739
UniProtQ44467|LOX_AERVM L-lactate oxidase

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