Structure of PDB 4a4h Chain A Binding Site BS01

Receptor Information
>4a4h Chain A (length=64) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASTQPTHSWKVGDKCMAVWSEDGQCYEAEIEEIDEENGTAAITFAGYGNA
EVTPLLNLKPVEEG
Ligand information
Ligand IDDA2
InChIInChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1
InChIKeyYDGMGEXADBMOMJ-LURJTMIESA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN(C)C(=N)NCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.7.6CN(C)C(=N)NCCCC(C(=O)O)N
OpenEye OEToolkits 1.7.6[H]/N=C(/NCCC[C@@H](C(=O)O)N)\N(C)C
CACTVS 3.385CN(C)C(=N)NCCC[CH](N)C(O)=O
ACDLabs 12.01CN(C)C(/NCCCC(N)C(=O)O)=N
FormulaC8 H18 N4 O2
NameNG,NG-DIMETHYL-L-ARGININE;
ADMA
ChEMBLCHEMBL457530
DrugBankDB01686
ZINCZINC000001529718
PDB chain4a4h Chain A Residue 1129 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4a4h Structural Basis for Dimethyl-Arginine Recognition by the Tudor Domains of Human Smn and Spf30 Proteins
ResolutionN/A
Binding residue
(original residue number in PDB)		W83 Y90 F108 Y111 N113
Binding residue
(residue number reindexed from 1)		W19 Y26 F44 Y47 N49
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=2.77,Kd=1.706mM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006397 mRNA processing
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4a4h, PDBe:4a4h, PDBj:4a4h
PDBsum4a4h
PubMed22101937
UniProtO75940|SPF30_HUMAN Survival of motor neuron-related-splicing factor 30 (Gene Name=SMNDC1)

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