Structure of PDB 7un2 Chain B Binding Site BS03

Receptor Information
>7un2 Chain B (length=237) Species: 3825 (Canavalia rosea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTA
HIIYNSVGKRLSAVVSYPNGDSATVSYDVDLDNVLPEWVRVGLSASTGLY
KETNTILSWSFTSKLKSNSTHETNALHFVFNQFSKDQKDLILQGDATTGT
DGNLELTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFDATFTFLIK
SSDSHPADGIAFFISNIDSSIPSGSTGRLLGLFPDAN
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 chain7un2 Chain B Residue 303 [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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PDB7un2 Structural analysis of Canavalia maritima lectin complexed with auxins
Resolution1.8 Å
Binding residue
(original residue number in PDB)		S113 V179 H180
Binding residue
(residue number reindexed from 1)		S113 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:7un2, PDBe:7un2, PDBj:7un2
PDBsum7un2
PubMed
UniProtA0A6M6R659;
A0A8E6Z6W6

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