Structure of PDB 1yee Chain L Binding Site BS01

Receptor Information
>1yee 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]
DIVMTQSPLTLSVTIGQPASISCKSSQSLLYSNGKTYLSWLLQRPGQSPK
RLIYLVSKLDSGVPDRFTGSGSGTDFTLKISRVEAADLGLYYCVQGTHFP
YTFGGGTKLEILRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDIN
VKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCE
ATHKTSTSPIVKSFNRNEC
Ligand information
Ligand IDPNB
InChIInChI=1S/C13H17N2O8P/c16-12(14-8-13(17)18)2-1-7-24(21,22)23-9-10-3-5-11(6-4-10)15(19)20/h3-6H,1-2,7-9H2,(H,14,16)(H,17,18)(H,21,22)
InChIKeyLNMNPGKCSJFAGN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1COP(=O)(CCCC(=O)NCC(=O)O)O)[N+](=O)[O-]
ACDLabs 10.04O=C(O)CNC(=O)CCCP(=O)(OCc1ccc(cc1)[N+]([O-])=O)O
OpenEye OEToolkits 1.5.0c1cc(ccc1CO[P@](=O)(CCCC(=O)NCC(=O)O)O)[N+](=O)[O-]
CACTVS 3.341OC(=O)CNC(=O)CCC[P](O)(=O)OCc1ccc(cc1)[N+]([O-])=O
CACTVS 3.341OC(=O)CNC(=O)CCC[P@@](O)(=O)OCc1ccc(cc1)[N+]([O-])=O
FormulaC13 H17 N2 O8 P
Name4-NITRO-BENZYLPHOSPHONOBUTANOYL-GLYCINE
ChEMBL
DrugBankDB08409
ZINC
PDB chain1yee Chain H Residue 551 [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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PDB1yee Structural convergence in the active sites of a family of catalytic antibodies.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		Y27D V89 G91 Y96
Binding residue
(residue number reindexed from 1)		Y31 V94 G96 Y101
Annotation score1
External links