Structure of PDB 4a4g Chain A Binding Site BS01

Receptor Information
>4a4g 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]
NTAASLQQWKVGDKCSAIWSEDGCIYPATIASIDFKRETCVVVYTGYGNR
EEQNLSDLLSPICE
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 chain4a4g Chain A Residue 1148 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4a4g 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)		W102 Y109 Y127 Y130 N132
Binding residue
(residue number reindexed from 1)		W19 Y26 Y44 Y47 N49
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=2.99,Kd=1.025mM
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:4a4g, PDBe:4a4g, PDBj:4a4g
PDBsum4a4g
PubMed22101937
UniProtQ16637|SMN_HUMAN Survival motor neuron protein (Gene Name=SMN1)

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