Structure of PDB 6tt9 Chain BBB Binding Site BS01

Receptor Information
>6tt9 Chain BBB (length=230) Species: 33129 (Phaseolus acutifolius) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SANDISFNFQRFNETNLILQGDASVSSSGQLRLTNLNDNGEPTLSSLGRA
FYSTPIQIWDSTTGAVASFATSFTFNIRVPNNAGPADGLAFALVPVGSKP
KDRGGLLGLFDKAHTVAVEFDTLYNRDWDPRERHIGIDVNSIKSIKTTPW
DFVNGEDAEVLITYDSSTKLLVASLVYPSQKTSFIVSDTVDLKSVLPEWV
SVGFSATSGISKGNVETNDLLSWSFASKLS
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 chain6tt9 Chain BBB Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6tt9 Recombinant Lectin from Tepary Bean (Phaseolus acutifolius) with Specific Recognition for Cancer-Associated Glycans: Production, Structural Characterization, and Target Identification.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D126 L128 N130 D134
Binding residue
(residue number reindexed from 1)		D121 L123 N125 D129
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding

View graph for
Molecular Function
External links
PDB RCSB:6tt9, PDBe:6tt9, PDBj:6tt9
PDBsum6tt9
PubMed32340396
UniProtQ40750

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