Structure of PDB 5e9w Chain B Binding Site BS01

Receptor Information
>5e9w Chain B (length=273) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RIFYLRNFNNWMKSVLIGEFLEKVRQKKKRDITVLDLGCGKGGDLLKWKK
GRINKLVCTDIADVSVKQCQQRYEDMKNRRDSEYIFSAEFITADSSKELL
IDKFRDPQMCFDICSCQFVCHYSFESYEQADMMLRNACERLSPGGYFIGT
TPNSFELIRRLEASETESFGNEIYTVKFQKKGDYPLFGCKYDFNLEDVPE
FLVYFPLLNEMAKKYNMKLVYKKTFLEFYEEKIKNNENKMLLKRMQRLPL
GTLSKSEWEATSIYLVFAFEKQQ
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 chain5e9w Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5e9w Molecular basis of RNA guanine-7 methyltransferase (RNMT) activation by RAM.
Resolution2.283 Å
Binding residue
(original residue number in PDB)		K180 G205 C206 D227 I228 S262 Q284 Y289
Binding residue
(residue number reindexed from 1)		K13 G38 C39 D60 I61 S95 Q117 Y122
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.56: mRNA (guanine-N(7))-methyltransferase.
Gene Ontology
Molecular Function
GO:0004482 mRNA 5'-cap (guanine-N7-)-methyltransferase activity
Biological Process
GO:0006370 7-methylguanosine mRNA capping

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5e9w, PDBe:5e9w, PDBj:5e9w
PDBsum5e9w
PubMed27422871
UniProtO43148|MCES_HUMAN mRNA cap guanine-N7 methyltransferase (Gene Name=RNMT)

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