Structure of PDB 2lk1 Chain A Binding Site BS01

Receptor Information
>2lk1 Chain A (length=30) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KFEDWLCNKCCLNNFRKRLKCFRCGADKFD
Ligand information
Ligand IDAQN
InChIInChI=1S/C14H8O5S/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13/h1-7H,(H,17,18,19)
InChIKeyMMNWSHJJPDXKCH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370O[S](=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
OpenEye OEToolkits 1.7.2c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O
ACDLabs 12.01O=S(=O)(O)c3ccc2C(=O)c1c(cccc1)C(=O)c2c3
FormulaC14 H8 O5 S
Name9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
ChEMBLCHEMBL3305895
DrugBank
ZINCZINC000003875860
PDB chain2lk1 Chain A Residue 32 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2lk1 Targeting Zinc Finger Domains with Small Molecules: Solution Structure and Binding Studies of the RanBP2-Type Zinc Finger of RBM5.
ResolutionN/A
Binding residue
(original residue number in PDB)		F15 R18 F22 D30
Binding residue
(residue number reindexed from 1)		F15 R18 F22 D30
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.09,Kd=82uM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:2lk1, PDBe:2lk1, PDBj:2lk1
PDBsum2lk1
PubMed22162216
UniProtP52756|RBM5_HUMAN RNA-binding protein 5 (Gene Name=RBM5)

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