Structure of PDB 1ngp Chain H Binding Site BS01

Receptor Information
>1ngp Chain H (length=215) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVQLQQPGAELVKPGASVKLSCKASGYTFTSYWMHWVKQRPGRGLEWIGR
IDPNSGGTKYNEKFKSKATLTVDKPSSTAYMQLSSLTSEDSAVYYCARYD
YYGSSYFDYWGQGTTLTVSSAKTTPPSVYPLAPGSSMVTLGCLVKGYFPE
PVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSPWPSETVTCNVA
HPASSTKVDKKIVPR
Ligand information
Ligand IDNPA
InChIInChI=1S/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12)
InChIKeyQBHBHOSRLDPIHG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)Cc1ccc(O)c(c1)[N+]([O-])=O
OpenEye OEToolkits 1.5.0c1cc(c(cc1CC(=O)O)[N+](=O)[O-])O
ACDLabs 10.04O=[N+]([O-])c1cc(ccc1O)CC(=O)O
FormulaC8 H7 N O5
Name2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID
ChEMBLCHEMBL501822
DrugBankDB08294
ZINCZINC000003861564
PDB chain1ngp Chain H Residue 302 [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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PDB1ngp Three-dimensional structures of the Fab fragment of murine N1G9 antibody from the primary immune response and of its complex with (4-hydroxy-3-nitrophenyl)acetate.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		W33 H35 R50 K59 Y99 Y101
Binding residue
(residue number reindexed from 1)		W33 H35 R50 K59 Y99 Y101
Annotation score1
External links