Structure of PDB 2e77 Chain D Binding Site BS01

Receptor Information
>2e77 Chain D (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
EGMSLNNIYGASKQKISPRDIEEIAGHSGLPVFVKGIQHPEDADMAIKRG
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 chain2e77 Chain D Residue 3512 [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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PDB2e77 Crystallographic study on the interaction of L-lactate oxidase with pyruvate at 1.9 Angstrom resolution.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		P3093 I3094 A3095 S3122 Q3144 Y3146 T3172 K3241 H3265 G3266 R3268 D3296 S3297 G3298 R3300 G3319 R3320
Binding residue
(residue number reindexed from 1)		P87 I88 A89 S116 Q138 Y140 T166 K235 H259 G260 R262 D290 S291 G292 R294 G313 R314
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S3122 Y3146 T3172 D3174 K3241 H3265
Catalytic site (residue number reindexed from 1) S116 Y140 T166 D168 K235 H259
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:2e77, PDBe:2e77, PDBj:2e77
PDBsum2e77
PubMed17517371
UniProtQ44467|LOX_AERVM L-lactate oxidase

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