Structure of PDB 4rje Chain C Binding Site BS02

Receptor Information
>4rje Chain C (length=361) Species: 1377 (Aerococcus viridans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YNAPSEIKYIDVVNTYDLEEEASKVVPHGGFNYIAGASGDEWTKRANDRA
WKHKLLYPRLAQDVEAPDTSTEILGHKIKAPFIMAPIGAHGLAHATKEAG
TARAVSEFGTIMSISAYSGATFEEISEGLNGGPRWFQIYMAKDDQQNRDI
LDEAKGDGATAIILTADSTVSGNRDRDVKNKFVYPFGMPIVQRYLTAEGM
SLNNSKQKISPRDIEEIAAHSGLPVFVKGIQHPEDADMAIKAGASGIWVS
NHGARQLYEAPGSFDTLPAIAERVNKRVPIVFDSGVRRGEHVAKALASGA
DVVALGRPVLFGLALGGWQGAYSVLDYFQKDLTRVMQLTGSQNVEDLKGL
DLFDNPYGYEY
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 chain4rje Chain C Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4rje The Ala95-to-Gly substitution in Aerococcus viridans l-lactate oxidase revisited - structural consequences at the catalytic site and effect on reactivity with O2 and other electron acceptors.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		Y40 Y146 R181 L211 H265 R268
Binding residue
(residue number reindexed from 1)		Y33 Y139 R174 L202 H252 R255
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 K228 H252
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:4rje, PDBe:4rje, PDBj:4rje
PDBsum4rje
PubMed25423902
UniProtQ44467|LOX_AERVM L-lactate oxidase

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