Structure of PDB 1yef Chain L Binding Site BS02

Receptor Information
>1yef 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]
DIVMTQSPLTLSVTIGQPASISCKSSQSLLYSNGKTYLNWLLQRPGQSPK
RLIHLVSKLDSGVPDRITGSGSGTDFTLKISRVEAADLGVYYCVQGTHFP
YTFGGGTKLEILRGDAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDIN
VKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCE
ATHKTSTSPIVKSFNRNEC
Ligand information
Ligand IDPNC
InChIInChI=1S/C14H17N3O6/c18-12(2-1-3-13(19)16-9-14(20)21)15-8-10-4-6-11(7-5-10)17(22)23/h4-7H,1-3,8-9H2,(H,15,18)(H,16,19)(H,20,21)
InChIKeyUCFVFUIGNWHAJJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)CNC(=O)CCCC(=O)NCc1ccc(cc1)[N+]([O-])=O
ACDLabs 10.04O=C(O)CNC(=O)CCCC(=O)NCc1ccc(cc1)[N+]([O-])=O
OpenEye OEToolkits 1.5.0c1cc(ccc1CNC(=O)CCCC(=O)NCC(=O)O)[N+](=O)[O-]
FormulaC14 H17 N3 O6
NamePARA-NITROBENZYL GLUTARYL GLYCINIC ACID
ChEMBL
DrugBankDB08410
ZINCZINC000002043202
PDB chain1yef Chain L 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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PDB1yef X-ray structures of a hydrolytic antibody and of complexes elucidate catalytic pathway from substrate binding and transition state stabilization through water attack and product release.
Resolution2.0 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