Structure of PDB 4r6o Chain A Binding Site BS04

Receptor Information
>4r6o Chain A (length=133) Species: 3490 (Artocarpus integer) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKAFDDGAFTGIREINLSYNKETAIGDFQVVYDLNGSPYVGQNHKSFITG
FTPVKISLDFPSEYIMEVSGYTGNVSGYVVVRSLTFKTNKKTYGPYGVTS
GTPFNLPIENGLIVGFKGSIGYWLDYFSMYLSL
Ligand information
Ligand IDZZ1
InChIInChI=1S/C10H8O2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKeyPSGQCCSGKGJLRL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C2Oc1ccccc1C(=C2)C
OpenEye OEToolkits 1.5.0CC1=CC(=O)Oc2c1cccc2
CACTVS 3.341CC1=CC(=O)Oc2ccccc12
FormulaC10 H8 O2
Name4-METHYL-2H-CHROMEN-2-ONE;
4-METHYLUMBELLIFERYL
ChEMBLCHEMBL12279
DrugBankDB08785
ZINCZINC000000300858
PDB chain4r6o Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4r6o Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		S76 Y78 Y122 W123
Binding residue
(residue number reindexed from 1)		S76 Y78 Y122 W123
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0019862 IgA binding
GO:0030246 carbohydrate binding
Biological Process
GO:0008150 biological_process
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4r6o, PDBe:4r6o, PDBj:4r6o
PDBsum4r6o
PubMed25664742
UniProtP18670|LECA_ARTIN Agglutinin alpha chain

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