Structure of PDB 8b50 Chain L Binding Site BS01

Receptor Information
>8b50 Chain L (length=219) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIELTQSPSSVPVTLGESVSISCRSSTSLLHSSGKHRLYWFLQRPGQSPQ
LLIYYVSNLASGVSDRFSGSGSGTDFTLRISRVEAGDFGVYYCLQSLEYP
FTFGSGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAK
VQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACE
VTHQGLSSPVTKSFNRGEC
Ligand information
Ligand IDP0M
InChIInChI=1S/C12H11NO5/c13-9(12(16)17)3-6-4-11(15)18-10-5-7(14)1-2-8(6)10/h1-2,4-5,9,14H,3,13H2,(H,16,17)/t9-/m0/s1
InChIKeyUURZOUPNUFWGBS-VIFPVBQESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc2c(cc1O)OC(=O)C=C2CC(C(=O)O)N
OpenEye OEToolkits 3.1.0.0c1cc2c(cc1O)OC(=O)C=C2C[C@@H](C(=O)O)N
CACTVS 3.385N[CH](CC1=CC(=O)Oc2cc(O)ccc12)C(O)=O
CACTVS 3.385N[C@@H](CC1=CC(=O)Oc2cc(O)ccc12)C(O)=O
FormulaC12 H11 N O5
Name(2~{S})-2-azanyl-3-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)propanoic acid
ChEMBL
DrugBank
ZINC
PDB chain8b50 Chain H Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8b50 Preparation and characterization of monoclonal antibodies against a non natural amino acid carrying the 7-hydroxycoumarin side chain
Resolution1.67 Å
Binding residue
(original residue number in PDB)		R37 Y39 Y55 S96 Y99
Binding residue
(residue number reindexed from 1)		R37 Y39 Y55 S96 Y99
Annotation score1
External links