Structure of PDB 1a6v Chain H Binding Site BS01
Receptor Information
>1a6v Chain H (length=118) Species:
10090
(Mus musculus) [
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QVQLQQPGAELVKPGASVKLSCKASGYTFTSYWMHWVKQRPGRGLEWIGR
IDPNSGGTKYNEKFKSKATLTVDKPSSTAYMQLSSLTSEDSAVYYCARYD
YYGSSYFDYWGQGTTVTV
Ligand information
Ligand ID
NPC
InChI
InChI=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
InChIKey
XAYGJFACOIKJCT-UHFFFAOYSA-M
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1cc(c(cc1CC(=O)NCCCCCC(=O)[O-])[N+](=O)[O-])O
CACTVS 3.341
Oc1ccc(CC(=O)NCCCCCC([O-])=O)cc1[N+]([O-])=O
ACDLabs 10.04
O=[N+]([O-])c1cc(ccc1O)CC(=O)NCCCCCC([O-])=O
Formula
C14 H17 N2 O6
Name
4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION
ChEMBL
DrugBank
DB08295
ZINC
PDB chain
1a6v Chain H Residue 430 [
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Receptor-Ligand Complex Structure
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PDB
1a6v
A Functional Antibody Mutant with an Insertion in the Framework Region 3 Loop of the Vh Domain: Implications for Antibody Engineering
Resolution
1.8 Å
Binding residue
(original residue number in PDB)
W333 H335 R350 K359 Y401
Binding residue
(residue number reindexed from 1)
W33 H35 R50 K59 Y101
Annotation score
1
External links
PDB
RCSB:1a6v
,
PDBe:1a6v
,
PDBj:1a6v
PDBsum
1a6v
PubMed
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