Structure of PDB 9f7h Chain A Binding Site BS01

Receptor Information
>9f7h Chain A (length=166) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKEPEQLRKLFIGGLSFETTDESLRSHFEQWGTLTDCVVMRDPNTKRSRG
FGFVTYATVEEVDAAMNARPHKVDGRVVEPKRAGAHLTVKKIFVGGIKED
TEEHHLRDYFEQYGKIEVIEIMTDRGSGKKRGFAFVTFDDHDSVDKIVIQ
KYHTVNGHNCEVRKAL
Ligand information
Ligand IDJFM
InChIInChI=1S/C9H13NO2S/c1-13(11,12)10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyJGDDFCYMSLNOGJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CS(=O)(=O)NCCc1ccccc1
ACDLabs 12.01c1cccc(CCNS(C)(=O)=O)c1
CACTVS 3.385C[S](=O)(=O)NCCc1ccccc1
FormulaC9 H13 N O2 S
NameN-(2-phenylethyl)methanesulfonamide
ChEMBL
DrugBank
ZINCZINC000000093607
PDB chain9f7h Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB9f7h Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
Resolution1.43 Å
Binding residue
(original residue number in PDB)		P76 H77 K78
Binding residue
(residue number reindexed from 1)		P70 H71 K72
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:9f7h, PDBe:9f7h, PDBj:9f7h
PDBsum9f7h
PubMed
UniProtP09651|ROA1_HUMAN Heterogeneous nuclear ribonucleoprotein A1 (Gene Name=HNRNPA1)

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