Structure of PDB 2uud Chain J Binding Site BS01

Receptor Information
>2uud Chain J (length=121) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVKLVESGGGLVQPGGSLRLSCATSGFSFTDYYMAWVRQPPGKALEWLAF
IRNKANGYTTDYSASVKGRFTISRDNSQSILYLQMNTLRAEDSATYYCAR
GDYYGAWFAYWGQGTLVTVSA
Ligand information
Ligand IDPHX
InChIInChI=1S/C14H14N2O4/c17-12(18)7-4-8-15-9-11-14(19)20-13(16-11)10-5-2-1-3-6-10/h1-3,5-6,9,15H,4,7-8H2,(H,17,18)
InChIKeyPXGNVFUWTUIRCJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C1OC(=N\C1=C\NCCCC(=O)O)c2ccccc2
CACTVS 3.385OC(=O)CCCNC=C1N=C(OC1=O)c2ccccc2
CACTVS 3.385OC(=O)CCCN\C=C1/N=C(OC1=O)c2ccccc2
OpenEye OEToolkits 1.9.2c1ccc(cc1)C2=NC(=CNCCCC(=O)O)C(=O)O2
FormulaC14 H14 N2 O4
Name4-{[(Z)-(5-OXO-2-PHENYL-1,3-OXAZOL-4(5H)-YLIDENE)METHYL]AMINO}BUTANOIC ACID
ChEMBL
DrugBankDB08396
ZINC
PDB chain2uud Chain J Residue 1114 [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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PDB2uud Structural Basis of Affinity Maturation of the Tepc15-Vkappa45.1 Anti-2-Phenyl-5-Oxazolone Antibodies
Resolution2.9 Å
Binding residue
(original residue number in PDB)		D31 Y32 Y33 G95 D96 Y97 A100 W100A
Binding residue
(residue number reindexed from 1)		D31 Y32 Y33 G101 D102 Y103 A106 W107
Annotation score1
External links