Structure of PDB 1a6w Chain H Binding Site BS01

Receptor Information
>1a6w Chain H (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 IDNIP
InChIInChI=1S/C14H17IN2O6/c15-10-6-9(7-11(14(10)21)17(22)23)8-12(18)16-5-3-1-2-4-13(19)20/h6-7,21H,1-5,8H2,(H,16,18)(H,19,20)/p-1
InChIKeyLKGGMBQFWIIXJM-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(cc(c(c1[N+](=O)[O-])O)I)CC(=O)NCCCCCC(=O)[O-]
CACTVS 3.341Oc1c(I)cc(CC(=O)NCCCCCC([O-])=O)cc1[N+]([O-])=O
ACDLabs 10.04Ic1cc(cc([N+]([O-])=O)c1O)CC(=O)NCCCCCC([O-])=O
FormulaC14 H16 I N2 O6
Name4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION
ChEMBL
DrugBankDB08273
ZINC
PDB chain1a6w Chain H 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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PDB1a6w A Functional Antibody Mutant with an Insertion in the Framework Region 3 Loop of the Vh Domain: Implications for Antibody Engineering
Resolution2.0 Å
Binding residue
(original residue number in PDB)		W333 H335 R350 Y399 Y401
Binding residue
(residue number reindexed from 1)		W33 H35 R50 Y99 Y101
Annotation score1
External links