Structure of PDB 4yl2 Chain D Binding Site BS02

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 IDPYR
InChIInChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKeyLCTONWCANYUPML-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(=O)C(=O)O
ACDLabs 12.01O=C(C(=O)O)C
FormulaC3 H4 O3
NamePYRUVIC ACID
ChEMBLCHEMBL1162144
DrugBankDB00119
ZINCZINC000001532517
PDB chain4yl2 Chain D Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		Y40 Y146 R181 L211 Y215 H265 R268
Binding residue
(residue number reindexed from 1)		Y33 Y139 R174 L202 Y206 H256 R259
Annotation score5
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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