Structure of PDB 3d4p Chain B Binding Site BS02

Receptor Information
>3d4p Chain B (length=310) Species: 93062 (Staphylococcus aureus subsp. aureus COL) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FKGNKVVLIGNGAVGSSYAFSLVNQSIVDELVIIDLDTEKVRGDVMDLKH
ATPYSPTTVRVKAGEYSDCHDADLVVICAGAAQKPGETRLDLVSKNLKIF
KSIVGEVMASKFDGIFLVATNPVDILAYATWKFSGLPKERVIGSGTILDS
ARFRLLLSEAFDVAPRSVDAQIIGEHGDTELPVWSHANIAGQPLKTLLEQ
RPEGKAQIEQIFVQTRDAAYDIIQAKGATYYGVAMGLARITEAIFRNEDA
VLTVSALLEGEYEEEDVYIGVPAVINRNGIRNVVEIPLNDEEQSKFAHSA
KTLKDIMAEA
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 chain3d4p Chain B Residue 319 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3d4p Crystal structure of Lactate Dehydrogenase from Staphylococcus Aureus complexed with NAD and pyruvate
Resolution1.8 Å
Binding residue
(original residue number in PDB)		L151 R155 H179 A222 T232
Binding residue
(residue number reindexed from 1)		L148 R152 H176 A219 T229
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R92 D152 R155 H179
Catalytic site (residue number reindexed from 1) R89 D149 R152 H176
Enzyme Commision number 1.1.1.27: L-lactate dehydrogenase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004459 L-lactate dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
Biological Process
GO:0006089 lactate metabolic process
GO:0006090 pyruvate metabolic process
GO:0006096 glycolytic process
GO:0019752 carboxylic acid metabolic process
Cellular Component
GO:0005737 cytoplasm

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Biological Process
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Cellular Component
External links
PDB RCSB:3d4p, PDBe:3d4p, PDBj:3d4p
PDBsum3d4p
PubMed
UniProtQ5HJD7|LDH1_STAAC L-lactate dehydrogenase 1 (Gene Name=ldh1)

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