Structure of PDB 4f42 Chain A Binding Site BS02

Receptor Information
>4f42 Chain A (length=84) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GNLYSSLPLTKREEVEKLLNGDTWRHLAGELGYQPEHIDSFTHEACPVRA
LLASWGAQDSATLDALLAALRRIQRADIVESLCS
Ligand information
Ligand IDMNB
InChIInChI=1S/C7H5NO4S/c9-7(10)5-3-4(13)1-2-6(5)8(11)12/h1-3,13H,(H,9,10)
InChIKeyGANZODCWZFAEGN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=[N+]([O-])c1c(cc(S)cc1)C(=O)O
CACTVS 3.341OC(=O)c1cc(S)ccc1[N+]([O-])=O
OpenEye OEToolkits 1.5.0c1cc(c(cc1S)C(=O)O)[N+](=O)[O-]
FormulaC7 H5 N O4 S
Name5-MERCAPTO-2-NITRO-BENZOIC ACID
ChEMBL
DrugBankDB02763
ZINCZINC000002046780
PDB chain4f42 Chain A Residue 102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4f42 Structural insights into the allosteric activation mechanism of p75NTR
Resolution2.38 Å
Binding residue
(original residue number in PDB)		K12 L64 C84
Binding residue
(residue number reindexed from 1)		K11 L63 C83
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0007165 signal transduction

View graph for
Biological Process
External links
PDB RCSB:4f42, PDBe:4f42, PDBj:4f42
PDBsum4f42
PubMed
UniProtP07174|TNR16_RAT Tumor necrosis factor receptor superfamily member 16 (Gene Name=Ngfr)

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