Structure of PDB 4r6q Chain C Binding Site BS04

Receptor Information
>4r6q Chain C (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 IDNBZ
InChIInChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKeyLQNUZADURLCDLV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-][N+](=O)c1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)[N+](=O)[O-]
FormulaC6 H5 N O2
NameNITROBENZENE
ChEMBLCHEMBL15750
DrugBank
ZINCZINC000000896426
PDB chain4r6q Chain C Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4r6q Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		Y78 Y122
Binding residue
(residue number reindexed from 1)		Y78 Y122
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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Biological Process
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Cellular Component
External links
PDB RCSB:4r6q, PDBe:4r6q, PDBj:4r6q
PDBsum4r6q
PubMed25664742
UniProtP18670|LECA_ARTIN Agglutinin alpha chain

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