Structure of PDB 1yuh Chain B Binding Site BS01
Receptor Information
>1yuh Chain B (length=218) Species:
10090
(Mus musculus) [
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QVQFQQSGAELVKPGASVKLSCKASGYTFTSYLMHWIKQRPGRGLEWIGR
IDPNNVVTKFNEKFKSKATLTVDKPSSTAYMELSSLTSEDSAVYYCARYA
YCRPMDYWGQGTTVTVSSAATTPPSVYPLAPGSAAQTNSMVTLGCLVKGY
FPEPVTVTWNSGALSSGVHTFPAVLQSDLYTLSSSVTVPASTWPSGTVTC
NVAHPASSTAVDKKIVPR
Ligand information
Ligand ID
NP
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)
InChIKey
XAYGJFACOIKJCT-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=[N+]([O-])c1cc(ccc1O)CC(=O)NCCCCCC(=O)O
OpenEye OEToolkits 1.5.0
c1cc(c(cc1CC(=O)NCCCCCC(=O)O)[N+](=O)[O-])O
CACTVS 3.341
OC(=O)CCCCCNC(=O)Cc1ccc(O)c(c1)[N+]([O-])=O
Formula
C14 H18 N2 O6
Name
4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID
ChEMBL
DrugBank
ZINC
PDB chain
1yuh Chain B Residue 996 [
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Receptor-Ligand Complex Structure
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PDB
1yuh
Structural analysis of affinity maturation: the three-dimensional structures of complexes of an anti-nitrophenol antibody.
Resolution
3.0 Å
Binding residue
(original residue number in PDB)
L33 R50 Y99 A100 Y101
Binding residue
(residue number reindexed from 1)
L33 R50 Y99 A100 Y101
Annotation score
1
External links
PDB
RCSB:1yuh
,
PDBe:1yuh
,
PDBj:1yuh
PDBsum
1yuh
PubMed
8544863
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