Structure of PDB 1a8j Chain H Binding Site BS01

Receptor Information
>1a8j Chain H (length=216) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSALTQPPSASGSLGQSVTISCTGTSSDVGGYNYVSWYQQHAGKAPKVII
YEVNKRPSGVPDRFSGSKSGNTASLTVSGLQAEDEADYYCSSYEGSDNFV
FGTGTKVTVLGQPKANPTVTLFPPSSEELQANKATLVCLISDFYPGAVTV
AWKADGSPVKAGVETTKPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVT
HEGSTVEKTVAPTECS
Ligand information
Ligand IDPME
InChIInChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1
InChIKeyIAOZJIPTCAWIRG-QWRGUYRKSA-N
SMILES
SoftwareSMILES
CACTVS 3.341COC(=O)[CH](Cc1ccccc1)NC(=O)[CH](N)CC(O)=O
CACTVS 3.341COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O
OpenEye OEToolkits 1.5.0COC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)N
ACDLabs 10.04O=C(O)CC(N)C(=O)NC(C(=O)OC)Cc1ccccc1
OpenEye OEToolkits 1.5.0COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N
FormulaC14 H18 N2 O5
NameN-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-METHYL ESTER;
ASPARTAME
ChEMBLCHEMBL171679
DrugBankDB00168
ZINCZINC000001532132
PDB chain1a8j Chain L Residue 217 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1a8j Treatment of osteoarthritis with aspartame.
Resolution2.7 Å
Binding residue
(original residue number in PDB)
Y34 Y51 E52
Binding residue
(residue number reindexed from 1)
Y34 Y51 E52
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003823 antigen binding
Biological Process
GO:0002250 adaptive immune response
GO:0006955 immune response
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005886 plasma membrane
GO:0019814 immunoglobulin complex

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:1a8j, PDBe:1a8j, PDBj:1a8j
PDBsum1a8j
PubMed9630831
UniProtP01709|LV208_HUMAN Immunoglobulin lambda variable 2-8 (Gene Name=IGLV2-8)

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