Structure of PDB 9f4l Chain A Binding Site BS01

Receptor Information
>9f4l 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]
KEPEQLRKLFIGGLSFETTDESLRSHFEQWGTLTDCVVMRDPNTKRSRGF
GFVTYATVEEVDAAMNARPHKVDGRVVEPKRAVSLTVKKIFVGGIKEDTE
EHHLRDYFEQYGKIEVIEIMTDRGSGKKRGFAFVTFDDHDSVDKIVIQKY
HTVNGHNCEVRKAL
Ligand information
Ligand IDWGP
InChIInChI=1S/C10H14N2O/c1-12(2)10(13)8-11-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
InChIKeyMLCBUWNEWJFXJX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01N(CC(N(C)C)=O)c1ccccc1
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CN(C)C(=O)CNc1ccccc1
FormulaC10 H14 N2 O
NameN,N-dimethyl-N~2~-phenylglycinamide
ChEMBL
DrugBank
ZINCZINC000003634729
PDB chain9f4l 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]
PDB9f4l Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
Resolution1.4 Å
Binding residue
(original residue number in PDB)		V65 E66 D69
Binding residue
(residue number reindexed from 1)		V58 E59 D62
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:9f4l, PDBe:9f4l, PDBj:9f4l
PDBsum9f4l
PubMed
UniProtP09651|ROA1_HUMAN Heterogeneous nuclear ribonucleoprotein A1 (Gene Name=HNRNPA1)

[Back to BioLiP]