Structure of PDB 3bgv Chain A Binding Site BS01

Receptor Information
>3bgv Chain A (length=269) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RIFYLRNFNNWMKSVLIGEFLEKVRQKKDITVLDLGCGKGGDLLKWKKGR
INKLVCTDIADVSVKQCQQRYEDMKNRRDSYIFSAEFITADSSKELLIDK
FRDPQMCFDICSCQFVCHYSFESYEQADMMLRNACERLSPGGYFIGTTPN
SFELIRRLEASETESFGNEIYTVKFQKKGDYPLFGCKYDFNLEDVPEFLV
YFPLLNEMAKKYNMKLVYKKTFLEFYEEKIKNNENKMLLKRMQLPLGTLS
KSEWEATSIYLVFAFEKQQ
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 chain3bgv Chain C Residue 313 [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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PDB3bgv The crystal structure of human RNA (guanine-7-) methyltransferase in complex with SAH.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		K16 G41 D63 I64 S98 Q120 F121 V122 Y125 M136
Binding residue
(residue number reindexed from 1)		K13 G36 D58 I59 S92 Q114 F115 V116 Y119 M130
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:3bgv, PDBe:3bgv, PDBj:3bgv
PDBsum3bgv
PubMed
UniProtO43148|MCES_HUMAN mRNA cap guanine-N7 methyltransferase (Gene Name=RNMT)

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