Structure of PDB 8yto Chain A Binding Site BS01

Receptor Information
>8yto Chain A (length=236) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSAQAVVTQESALTTSPGETVTLTCRSSTGAVISSNFVSWVQEKPDHLFT
GLIGGNKNRAPGVPARFSGSLIGDKAVLTITGAQTEDEAIYFCALWYSNH
WVFGGGTKLTVLGQGGSQVQLQQPGAELAKPGASVQLSCKGSGYTFPNYW
MHWVTQRPGRGLEWIGRIDPNSGFIRYDERFKTKATLTVDKPSSTAYMQL
SSLTSDDSAVYFCARGCYGCIHFDYWGQGTTLTVSS
Ligand information
Ligand IDA1LZO
InChIInChI=1S/C10H10N2O6/c13-8-2-1-6(3-7(8)12(17)18)4-9(14)11-5-10(15)16/h1-3,13H,4-5H2,(H,11,14)(H,15,16)
InChIKeyGTYVYDYXIPPDBJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)CNC(=O)Cc1ccc(O)c(c1)[N](=O)=O
OpenEye OEToolkits 2.0.7c1cc(c(cc1CC(=O)NCC(=O)O)N(=O)=O)O
FormulaC10 H10 N2 O6
Name2-[2-(3-nitro-4-oxidanyl-phenyl)ethanoylamino]ethanoic acid
ChEMBL
DrugBank
ZINC
PDB chain8yto Chain A Residue 401 [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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PDB8yto Affinity-matured antibody with a disulfide bond in H-CDR3 loop.
Resolution1.04 Å
Binding residue
(original residue number in PDB)		F37 W96 W162 R179 R188 Y230 G231 H234
Binding residue
(residue number reindexed from 1)		F37 W96 W150 R167 R176 Y218 G219 H222
Annotation score1
External links