Structure of PDB 4l8q Chain A Binding Site BS01

Receptor Information
>4l8q Chain A (length=233) Species: 232301 (Canavalia grandiflora) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADTIVAVELDTYPNTDIGDPNYPHIGIDIKSIRSKKIAKWNMQDGKVATA
HIIYNSVGKRLSAVVSYPNADSATVSYDVDLDNVLPEWVRVGLSATTGLY
KETNTILSWSFTSKLKAETNALHFTFNQFTKDQKDLILQGDATTDSDGNL
QLTRVSSDGTPQGNSVGRALFYAPVHIWESSAVVASFDATFTFLIKSPDS
DPADGITFFISNMDSTIPSGSGGRLLGLFPDAN
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4l8q Chain A Residue 301 [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]
PDB4l8q Vasorelaxant activity of Canavalia grandiflora seed lectin: A structural analysis.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D10 Y12 N14 D19
Binding residue
(residue number reindexed from 1)		D10 Y12 N14 D19
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005537 D-mannose binding
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4l8q, PDBe:4l8q, PDBj:4l8q
PDBsum4l8q
PubMed24361256
UniProtA0A067XG71|LECA_CANGR Lectin ConGF

[Back to BioLiP]