Structure of PDB 4lwp Chain B Binding Site BS01

Receptor Information
>4lwp Chain B (length=342) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDLAVHRLMLEDAQRMSFYRKSIEQSASIEGKVVVDVGSGTGILSMWAAR
AGAKHVFSIEASSLSEFQIGVVEDNDLSTKITVLGDTVENIIAGGVANFV
NRHKAKLGKCGVAVLLSEWMGFYLFHEGMLPSVIRARNFFQDVNAALGVL
QPIEMIPERATVFVAPITCKPYYVQRYKNFWRDVDGLDFSRYGRIEYEVY
LEQPLVECLPPLCLLHEGLSLIELNLSTVQEEVLTSLHNTVHFDLKESAE
FQQHAREAGSEGRVSVDGFTVWFDVSYGAHTLSTSPRSPSTHWKQTTILL
PREARNEELVSFPVEGGELGVEMHISASDKTLRFYTIELELK
Ligand information
Ligand IDSAH
InChIInChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
FormulaC14 H20 N6 O5 S
NameS-ADENOSYL-L-HOMOCYSTEINE
ChEMBLCHEMBL418052
DrugBankDB01752
ZINCZINC000004228232
PDB chain4lwp Chain B Residue 407 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4lwp Crystal Structure of Arginine Methyltransferase 6 from Trypanosoma brucei
Resolution2.353 Å
Binding residue
(original residue number in PDB)		H30 M33 R39 G62 S63 I67 E84 A85 T111 V112 M153 S156
Binding residue
(residue number reindexed from 1)		H6 M9 R15 G38 S39 I43 E60 A61 T87 V88 M129 S132
Annotation score5
Binding affinityMOAD: Kd=45uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008469 histone arginine N-methyltransferase activity
GO:0016274 protein-arginine N-methyltransferase activity
GO:0035244 protein-arginine C-methyltransferase activity
GO:0042054 histone methyltransferase activity
Biological Process
GO:0006338 chromatin remodeling
GO:0018216 peptidyl-arginine methylation
GO:0019919 peptidyl-arginine methylation, to asymmetrical-dimethyl arginine
GO:0032259 methylation
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4lwp, PDBe:4lwp, PDBj:4lwp
PDBsum4lwp
PubMed24498306
UniProtQ57U70

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