Structure of PDB 8ur2 Chain B Binding Site BS01

Receptor Information
>8ur2 Chain B (length=99) Species: 412133 (Trichomonas vaginalis G3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMPALVIKTNAKFTEEEKSKATEELGNIVSKVLGKPISYVMVTLEDGVAV
RFGGSDEKAAFMSLMSILNRAVNKRASAALTKWFTDHGFQGDRIYIVFN
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 chain8ur2 Chain B Residue 202 [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]
PDB8ur2 Crystal Structure of macrophage migration inhibitory factor (MIF) from Trichomonas vaginalis (I41 form)
Resolution1.9 Å
Binding residue
(original residue number in PDB)		N22 D68
Binding residue
(residue number reindexed from 1)		N10 D56
Annotation score1
Enzymatic activity
Enzyme Commision number 5.3.2.1: phenylpyruvate tautomerase.
5.3.3.12: L-dopachrome isomerase.
Gene Ontology
Molecular Function
GO:0005125 cytokine activity
GO:0050178 phenylpyruvate tautomerase activity
Biological Process
GO:0007165 signal transduction
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8ur2, PDBe:8ur2, PDBj:8ur2
PDBsum8ur2
PubMed
UniProtA2DXT4

[Back to BioLiP]