Structure of PDB 7pgb Chain X Binding Site BS01
Receptor Information
>7pgb Chain X (length=219) Species:
9606
(Homo sapiens) [
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EVQLVESGGGLVQPGGSLRLSCAASGFNFSSSSIHWVRQAPGKGLEWVAS
ISSSSGSTSYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARTY
GWYYSWWWAFDYWGQGTLVTVSSASTKGPSVFPLAPSSGGTAALGCLVKD
YFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTY
ICNVNHKPSNTKVDKKVEP
Ligand information
Ligand ID
4NB
InChI
InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
InChIKey
OTLNPYWUJOZPPA-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
OC(=O)c1ccc(cc1)[N+]([O-])=O
OpenEye OEToolkits 1.5.0
c1cc(ccc1C(=O)O)[N+](=O)[O-]
ACDLabs 10.04
O=[N+]([O-])c1ccc(C(=O)O)cc1
Formula
C7 H5 N O4
Name
4-NITROBENZOIC ACID;
PARA NITROBENZOIC ACID
ChEMBL
CHEMBL101263
DrugBank
ZINC
ZINC000001688307
PDB chain
7pgb Chain X Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
7pgb
Quaternary structure independent folding of voltage-gated ion channel pore domain subunits.
Resolution
3.6 Å
Binding residue
(original residue number in PDB)
N28 S31 Y100
Binding residue
(residue number reindexed from 1)
N28 S31 Y100
Annotation score
1
External links
PDB
RCSB:7pgb
,
PDBe:7pgb
,
PDBj:7pgb
PDBsum
7pgb
PubMed
35655098
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