Structure of PDB 9f4z Chain A Binding Site BS01

Receptor Information
>9f4z Chain A (length=175) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKEPEQLRKLFIGGLSFETTDESLRSHFEQWGTLTDCVVMRDPNTKRSRG
FGFVTYATVEEVDAAMNARPHKVDGRVVEPKRAVSREDSQRPGAHLTVKK
IFVGGIKEDTEEHHLRDYFEQYGKIEVIEIMTDRGSGKKRGFAFVTFDDH
DSVDKIVIQKYHTVNGHNCEVRKAL
Ligand information
Ligand ID9KS
InChIInChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10)
InChIKeyADVGKWPZRIDURE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01N(C(C)=O)c1ccccc1O
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CC(=O)Nc1ccccc1O
FormulaC8 H9 N O2
NameN-(2-hydroxyphenyl)acetamide
ChEMBLCHEMBL1456301
DrugBank
ZINCZINC000000404269
PDB chain9f4z 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

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PDB9f4z Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
Resolution1.6 Å
Binding residue
(original residue number in PDB)		A89 V90 S91 R92 H101 L102 D160 I164 K179
Binding residue
(residue number reindexed from 1)		A83 V84 S85 R86 H95 L96 D154 I158 K173
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:9f4z, PDBe:9f4z, PDBj:9f4z
PDBsum9f4z
PubMed
UniProtP09651|ROA1_HUMAN Heterogeneous nuclear ribonucleoprotein A1 (Gene Name=HNRNPA1)

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