Structure of PDB 1t26 Chain A Binding Site BS02

Receptor Information
>1t26 Chain A (length=315) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKAKIVLVGSGMIGGVMATLIVQKNLGDVVLFDIVKNMPHGKALDTSHTN
VMAYSNCKVSGSNTYDDLAGADVVIVTAGFTKAPGKSDKEWNRDDLLPLN
NKIMIEIGGHIKKNCPNAFIIVVTNPVDVMVQLLHQHSGVPKNKIIGLGG
VLDTSRLKYYISQKLNVCPRDVNAHIVGAHGNKMVLLKRYITVGGIPLQE
FINNKLISDAELEAIFDRTVNTALEIVNLHASPYVAPAAAIIEMAESYLK
DLKKVLICSTLLEGQYGHSDIFGGTPVVLGANGVEQVIELQLNSEEKAKF
DEAIAETKRMKALAH
Ligand information
Ligand IDGBD
InChIInChI=1S/C3H2N2O3S/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)
InChIKeyFVZITYNLUYJDOE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1(c(nsn1)O)C(=O)O
CACTVS 3.341OC(=O)c1nsnc1O
ACDLabs 10.04O=C(O)c1nsnc1O
FormulaC3 H2 N2 O3 S
Name4-HYDROXY-1,2,5-THIADIAZOLE-3-CARBOXYLIC ACID
ChEMBLCHEMBL1232973
DrugBankDB03162
ZINCZINC000006523896
PDB chain1t26 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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PDB1t26 Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		W107 R109 N140 L167 R171 H195 A236 P246
Binding residue
(residue number reindexed from 1)		W91 R93 N125 L152 R156 H180 A223 P233
Annotation score1
Binding affinityMOAD: ic50=0.14uM
Enzymatic activity
Catalytic site (original residue number in PDB) R109 D168 R171 H195
Catalytic site (residue number reindexed from 1) R93 D153 R156 H180
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:1t26, PDBe:1t26, PDBj:1t26
PDBsum1t26
PubMed15117937
UniProtQ27743|LDH_PLAFD L-lactate dehydrogenase

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