Structure of PDB 1hqw Chain A Binding Site BS04

Receptor Information
>1hqw Chain A (length=237) Species: 3823 (Canavalia ensiformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTA
HIIYNSVDKRLSAVVSYPNADSATVSYDVDLDNVLPEWVRVGLSASTGLY
KETNTILSWSFTSKLKSNSTHETNALHFMFNQFSKDQKDLILQGDATTGT
DGNLELTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFEATFTFLIK
SPDSHPADGIAFFISNIDSSIPSGSTGRLLGLFPDAN
Ligand information
Ligand IDPTD
InChIInChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2
InChIKeySXRSQZLOMIGNAQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC=O)CC=O
ACDLabs 10.04
CACTVS 3.341		O=CCCCC=O
FormulaC5 H8 O2
NamePENTANEDIAL
ChEMBLCHEMBL1235482
DrugBankDB03266
ZINCZINC000001729593
PDB chain1hqw Chain A Residue 2001 [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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PDB1hqw Crystal structure of the complex of concanavalin A and tripeptide
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Y22 K39
Binding residue
(residue number reindexed from 1)		Y22 K39
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding

View graph for
Molecular Function
External links
PDB RCSB:1hqw, PDBe:1hqw, PDBj:1hqw
PDBsum1hqw
PubMed11330349
UniProtP02866|CONA_CANEN Concanavalin-A

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