Structure of PDB 6cu5 Chain B Binding Site BS01

Receptor Information
>6cu5 Chain B (length=313) Species: 5763 (Naegleria fowleri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GIHEEMLKDGIRTNAYKNAILQNKHLFKDKVVLDIGCGTGILCLFAAKAG
AKRVIGIDMSDIIDKARQIVSDNGYSHVIELIKGKVEDIAQLPFGIEKVD
IIISEWMGYFLLYESMLQTVLSARDRWLRPGGYLFPDKCTMYICGIEDSE
YKRDKIDFWDNVYGFNFSAIKADALREPLVDFVESQQIITTQSKFLEIDL
NTIQPEDLKQITTSFEFTSQYQEYCQAFVAWFDCVFSRGPHKPVEFSTGP
FTEGTHWKQTVFYLENDLPLKPNDVIKGTITISQNKSNHRDLDISMKYTV
NGGAVISQDYIMR
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 chain6cu5 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6cu5 Crystal structure of a protein arginine N-methyltransferase from Naegleria fowleri bound to SAH
Resolution2.7 Å
Binding residue
(original residue number in PDB)		R27 G51 C52 I56 L57 D73 M74 K100 V101 E120 M131
Binding residue
(residue number reindexed from 1)		R12 G36 C37 I41 L42 D58 M59 K85 V86 E105 M116
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0016274 protein-arginine N-methyltransferase activity
Biological Process
GO:0018216 peptidyl-arginine methylation
GO:0032259 methylation
Cellular Component
GO:0005634 nucleus

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6cu5, PDBe:6cu5, PDBj:6cu5
PDBsum6cu5
PubMed
UniProtA0A384E135

[Back to BioLiP]