Structure of PDB 2pe7 Chain A Binding Site BS02

Receptor Information
>2pe7 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
DISNIKGFNVPMDFSPTTRGCRGVRCAADIVGQCPAKLKAPGGGCNDACT
VFQTSEYCCTTGKCGPTEYSRFFKRLCPDAFSYVLDKPTTVTCPGSSNYR
VTFCPTA
Ligand information
Ligand IDPDC
InChIInChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKeyWJJMNDUMQPNECX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c1nc(C(=O)O)ccc1
CACTVS 3.341OC(=O)c1cccc(n1)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(nc(c1)C(=O)O)C(=O)O
FormulaC7 H5 N O4
NamePYRIDINE-2,6-DICARBOXYLIC ACID;
DIPICOLINIC ACID
ChEMBLCHEMBL284104
DrugBankDB04267
ZINCZINC000000105246
PDB chain2pe7 Chain A Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2pe7 A dipicolinate lanthanide complex for solving protein structures using anomalous diffraction.
Resolution1.46 Å
Binding residue
(original residue number in PDB)		F80 R82
Binding residue
(residue number reindexed from 1)		F80 R82
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

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2pe7, PDBe:2pe7, PDBj:2pe7
PDBsum2pe7
PubMed20606256
UniProtP02883|THM1_THADA Thaumatin I

[Back to BioLiP]