Structure of PDB 1a6v Chain I Binding Site BS01

Receptor Information
>1a6v Chain I (length=119) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVQLQQPGAELVKPGASVKLSCKASGYTFTSYWMHWVKQRPGRGLEWIGR
IDPNSGGTKYNEKFKSKATLTVDKPSSTAYMQLSSLTSEDSAVYYCARYD
YYGSSYFDYWGQGTTVTVS
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 I Residue 430 [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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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 K359 Y399 Y401 Y402 S405
Binding residue
(residue number reindexed from 1)		W33 H35 R50 K59 Y99 Y101 Y102 S105
Annotation score1
External links