Structure of PDB 1u4o Chain A Binding Site BS01

Receptor Information
>1u4o Chain A (length=309) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APKAKIVLVGSGMIGGVMATLIVQKNLGDVVLFDIVKNMPHGKALDTSHT
NVMAYSNCKVSGSNTYDDLAGADVVIVTAGFTKNRDDLLPLNNKIMIEIG
GHIKKNCPNAFIIVVTNPVDVMVQLLHQHSGVPKNKIIGLGGVLDTSRLK
YYISQKLNVCPRDVNAHIVGAHGNKMVLLKRYITVGGIPLQEFINNKLIS
DAELEAIFDRTVNTALEIVNLHASPYVAPAAAIIEMAESYLKDLKKVLIC
STLLEGQYGHSDIFGGTPVVLGANGVEQVIELQLNSEEKAKFDEAIAETK
RMKALAHHH
Ligand information
Ligand IDNDD
InChIInChI=1S/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16)
InChIKeyRXOHFPCZGPKIRD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(cc2c1cc(cc2)C(=O)O)C(=O)O
ACDLabs 10.04O=C(O)c1ccc2c(c1)ccc(C(=O)O)c2
CACTVS 3.341OC(=O)c1ccc2cc(ccc2c1)C(O)=O
FormulaC12 H8 O4
Name2,6-DICARBOXYNAPHTHALENE
ChEMBLCHEMBL1205452
DrugBankDB08262
ZINCZINC000000156288
PDB chain1u4o Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1u4o Mapping the binding site for gossypol-like inhibitors of Plasmodium falciparum lactate dehydrogenase.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		M30 I31 V138 L167 H195 P246 Y247 P250
Binding residue
(residue number reindexed from 1)		M13 I14 V115 L144 H172 P225 Y226 P229
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R109 D168 R171 H195
Catalytic site (residue number reindexed from 1) R85 D145 R148 H172
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:0019752 carboxylic acid metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1u4o, PDBe:1u4o, PDBj:1u4o
PDBsum1u4o
PubMed15978953
UniProtQ27743|LDH_PLAFD L-lactate dehydrogenase

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