Structure of PDB 1a6v Chain J Binding Site BS01

Receptor Information
>1a6v Chain J (length=120) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVQLQQPGAELVKPGASVKLSCKASGYTFTSYWMHWVKQRPGRGLEWIGR
IDPNSGGTKYNEKFKSKATLTVDKPSSTAYMQLSSLTSEDSAVYYCARYD
YYGSSYFDYWGQGTTVTVSS
Ligand information
Ligand IDNPC
InChIInChI=1S/C14H18N2O6/c17-12-6-5-10(8-11(12)16(21)22)9-13(18)15-7-3-1-2-4-14(19)20/h5-6,8,17H,1-4,7,9H2,(H,15,18)(H,19,20)/p-1
InChIKeyXAYGJFACOIKJCT-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(cc1CC(=O)NCCCCCC(=O)[O-])[N+](=O)[O-])O
CACTVS 3.341Oc1ccc(CC(=O)NCCCCCC([O-])=O)cc1[N+]([O-])=O
ACDLabs 10.04O=[N+]([O-])c1cc(ccc1O)CC(=O)NCCCCCC([O-])=O
FormulaC14 H17 N2 O6
Name4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION
ChEMBL
DrugBankDB08295
ZINC
PDB chain1a6v Chain J Residue 430 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1a6v A Functional Antibody Mutant with an Insertion in the Framework Region 3 Loop of the Vh Domain: Implications for Antibody Engineering
Resolution1.8 Å
Binding residue
(original residue number in PDB)		W333 H335 R350 Y401
Binding residue
(residue number reindexed from 1)		W33 H35 R50 Y101
Annotation score1
External links