Structure of PDB 6k4z Chain B Binding Site BS01

Receptor Information
>6k4z Chain B (length=227) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVVTQESALTTSPGETVTLTCRSSTGAVTTSNYVNWVQEKPDHLFTGLVY
STNSRVPGVPARFSGSLIGDKAALTITGAQAEDEAIYFCTLWYSNHWVFG
GGTKLTVLGQVQLQQPGAELVKPGASVKLSCKTSGYTFPYYWMHWVNQRP
GRGLEWIGRIDPNGGGTRYSEKFKSKATLTVDKPSNTAYMQLSSLTSEDS
AVYYCARGKLGQHFDYWGQGTALTVSS
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 chain6k4z Chain B Residue 1201 [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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PDB6k4z Three-dimensional structure of a high affinity anti-(4-hydroxy-3-nitrophenyl)acetyl antibody possessing a glycine residue at position 95 of the heavy chain.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		Y32 W91 W96 W1033 R1050 R1058 L1097 H1100A
Binding residue
(residue number reindexed from 1)		Y33 W92 W97 W142 R159 R168 L210 H213
Annotation score1
External links