Structure of PDB 4pcr Chain A Binding Site BS03

Receptor Information

>4pcr Chain A (length=234) Species: 61861 (Canavalia brasiliensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTA
HIIYNSVGKRLSAVVSYPNGDSATVSYDVDLDNVLPEWVRVGLSASTGLY
KETNTILSWSFTSKLKSNSTNALHFMFNQFSKDQKDLILQGDATTGTEGN
LRLTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFEATFTFLIKSPD
SHPADGIAFFISNIDSSIPSGSTGRLLGLFPDAN

Ligand information

Ligand ID

ABU

InChI

InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)

InChIKey

BTCSSZJGUNDROE-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.370	NCCCC(O)=O
ACDLabs 12.01	O=C(O)CCCN
OpenEye OEToolkits 1.7.0	C(CC(=O)O)CN

Formula

C4 H9 N O2

Name

GAMMA-AMINO-BUTANOIC ACID;
GAMMA(AMINO)-BUTYRIC ACID

PDB chain

4pcr Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	4pcr Crystal structure of Canavalia brasiliensis seed lectin (ConBr) complexed with Gamma-Aminobutyric Acid (GABA)
Resolution	2.15 Å
Binding residue (original residue number in PDB)	S113 N124 A125 L126 V179 H180
Binding residue (residue number reindexed from 1)	S113 N121 A122 L123 V176 H177
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0005537	D-mannose binding
GO:0030246	carbohydrate binding
GO:0046872	metal ion binding
GO:0090729	toxin activity

	Biological Process
GO:0035821	modulation of process of another organism

View graph for
Molecular Function

View graph for
Biological Process

External links

PDB	RCSB:4pcr, PDBe:4pcr, PDBj:4pcr
PDBsum	4pcr
PubMed
UniProt	P55915\|CONA_CANBR Concanavalin-Br

[Back to BioLiP]