Structure of PDB 2d7f Chain A Binding Site BS04

Receptor Information
>2d7f Chain A (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 A Residue 903 [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]
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 N124 A125 V179 H180
Binding residue
(residue number reindexed from 1)
S113 N124 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

[Back to BioLiP]