Structure of PDB 9f51 Chain A Binding Site BS01

Receptor Information
>9f51 Chain A (length=164) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKEPEQLRKLFIGGLSFETTDESLRSHFEQWGTLTDCVVMRDPNTKRSRG
FGFVTYATVEEVDAAMNARPHKVDGRVVEPKRAHLTVKKIFVGGIKEDTE
EHHLRDYFEQYGKIEVIEIMTDRGSGKKRGFAFVTFDDHDSVDKIVIQKY
HTVNGHNCEVRKAL
Ligand information
Ligand IDA1H9V
InChIInChI=1S/C5H9N3O2S/c1-8(2)11(9,10)5-3-6-7-4-5/h3-4H,1-2H3,(H,6,7)
InChIKeyHEIPZBCMZXCIPT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN(C)[S](=O)(=O)c1c[nH]nc1
OpenEye OEToolkits 2.0.7CN(C)S(=O)(=O)c1c[nH]nc1
FormulaC5 H9 N3 O2 S
Name~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide;
N,N-dimethyl-1H-pyrazole-4-sulfonamide
ChEMBL
DrugBank
ZINC
PDB chain9f51 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB9f51 Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
Resolution1.5 Å
Binding residue
(original residue number in PDB)		N73 Q127 Y128 G129
Binding residue
(residue number reindexed from 1)		N67 Q110 Y111 G112
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003723 RNA binding

View graph for
Molecular Function
External links
PDB RCSB:9f51, PDBe:9f51, PDBj:9f51
PDBsum9f51
PubMed
UniProtP09651|ROA1_HUMAN Heterogeneous nuclear ribonucleoprotein A1 (Gene Name=HNRNPA1)

[Back to BioLiP]