Structure of PDB 4a4f Chain A Binding Site BS01

Receptor Information
>4a4f 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 ID2MR
InChIInChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1
InChIKeyHVPFXCBJHIIJGS-LURJTMIESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN/C(=N/C)/NCCC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCCN\C(=N/C)NC
CACTVS 3.341CNC(NCCC[CH](N)C(O)=O)=NC
OpenEye OEToolkits 1.5.0CNC(=NC)NCCCC(C(=O)O)N
CACTVS 3.341CNC(NCCC[C@H](N)C(O)=O)=NC
FormulaC8 H18 N4 O2
NameN3, N4-DIMETHYLARGININE
ChEMBL
DrugBankDB02302
ZINCZINC000005965908
PDB chain4a4f 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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PDB4a4f 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=2.88,Kd=1.317mM
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:4a4f, PDBe:4a4f, PDBj:4a4f
PDBsum4a4f
PubMed22101937
UniProtO75940|SPF30_HUMAN Survival of motor neuron-related-splicing factor 30 (Gene Name=SMNDC1)

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