Structure of PDB 4bal Chain A Binding Site BS01

Receptor Information
>4bal Chain A (length=207) Species: 4621 (Thaumatococcus daniellii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATFEIVNRCSYTVWAAASKGDAALDAGGRQLNSGESWTINVEPGTNGGKI
WARTDCYFDDSGSGICKTGDCGGLLRCKRFGRPPTTLAEFSLNQYGKDYI
DISNIKGFNVPMNFSPTTRGCRGVRCAADIVGQCPAKLKAPGGGCNDACT
VFQTSEYCCTTGKCGPTEYSRFFKRLCPDAFSYVLDKPTTVTCPGSSNYR
VTFCPTA
Ligand information
Ligand IDHM6
InChIInChI=1S/C10H8N4O5/c15-4-5-3-14(13-12-5)6-1-7(9(16)17)11-8(2-6)10(18)19/h1-3,15H,4H2,(H,16,17)(H,18,19)
InChIKeyJVQVNGYGRNAVBP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)c1nc(cc(c1)n2nnc(c2)CO)C(=O)O
OpenEye OEToolkits 1.9.2c1c(cc(nc1C(=O)O)C(=O)O)n2cc(nn2)CO
CACTVS 3.385OCc1cn(nn1)c2cc(nc(c2)C(O)=O)C(O)=O
FormulaC10 H8 N4 O5
Name4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid;
HYDROXYMETHYLTRIAZOLE DIPICOLINIC ACID
ChEMBL
DrugBank
ZINCZINC000095920651
PDB chain4bal Chain A Residue 1209 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4bal Clicked Europium Dipicolinate Complexes for Protein X-Ray Structure Determination.
Resolution1.298 Å
Binding residue
(original residue number in PDB)		G20 R79 F80
Binding residue
(residue number reindexed from 1)		G20 R79 F80
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006952 defense response
Cellular Component
GO:0005576 extracellular region
GO:0031410 cytoplasmic vesicle

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Biological Process
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Cellular Component
External links
PDB RCSB:4bal, PDBe:4bal, PDBj:4bal
PDBsum4bal
PubMed23123834
UniProtP02883|THM1_THADA Thaumatin I

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