Structure of PDB 2d7f Chain L Binding Site BS04

Receptor Information
>2d7f Chain L (length=237) Species: 3824 (Canavalia gladiata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADTIVAVELDTYPNTDIGDPNYPHIGIDIKSVRSKKTAKWNMQNGKVGTA
HIIYNSVGKRLSAVVSYPNGDSATVSYDVDLDNVLPEWVRVGLSASTGLY
KETNTILSWSFTSKLKSNSTHETNALHFMFNQFSKDQKDLILQGDATTGT
DGNLELTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFDATFTFLIK
SPDSHPADGIAFFISNIDSSIPSGSTGRLLGLFPDAN
Ligand information
Ligand IDDBB
InChIInChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
InChIKeyQWCKQJZIFLGMSD-GSVOUGTGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCC(C(=O)O)N
OpenEye OEToolkits 1.7.6CC[C@H](C(=O)O)N
CACTVS 3.385CC[CH](N)C(O)=O
CACTVS 3.385CC[C@@H](N)C(O)=O
ACDLabs 12.01O=C(O)C(N)CC
FormulaC4 H9 N O2
NameD-ALPHA-AMINOBUTYRIC ACID
ChEMBLCHEMBL553426
DrugBankDB04454
ZINCZINC000000901329
PDB chain2d7f Chain L Residue 902 [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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PDB2d7f Structure of a lectin from Canavalia gladiata seeds: new structural insights for old molecules
Resolution2.31 Å
Binding residue
(original residue number in PDB)		S113 A125 V179 H180
Binding residue
(residue number reindexed from 1)		S113 A125 V179 H180
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding

View graph for
Molecular Function
External links
PDB RCSB:2d7f, PDBe:2d7f, PDBj:2d7f
PDBsum2d7f
PubMed17683532
UniProtP14894|CONA_CANGL Concanavalin-A

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