Structure of PDB 1ri3 Chain A Binding Site BS01

Receptor Information
>1ri3 Chain A (length=252) Species: 6035 (Encephalitozoon cuniculi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKTINIRNANNFIKACLIRLYTKRGDSVLDLGCGKGGDLLKYERAGIGEY
YGVDIAEVSINDARVRARNMKRRFKVFFRAQDSYGRHMDLGKEFDVISSQ
FSFHYAFSTSESLDIAQRNIARHLRPGGYFIMTVPSRDVILERYKQGRMS
NDFYKIELEKMEDVPMESVREYRFTLLDSVNNCIEYFVDFTRMVDGFKRL
GLSLVERKGFIDFYEDEGRRNPELSKKMGLGCLTREESEVVGIYEVVVFR
KL
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 chain1ri3 Chain A Residue 299 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ri3 Structure and mechanism of mRNA cap (Guanine-n7) methyltransferase
Resolution2.5 Å
Binding residue
(original residue number in PDB)		K54 G72 G74 D94 I95 D122 S123 Y124 Q140 F141 S142 Y145
Binding residue
(residue number reindexed from 1)		K14 G32 G34 D54 I55 D82 S83 Y84 Q100 F101 S102 Y105
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.56: mRNA (guanine-N(7))-methyltransferase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0004482 mRNA 5'-cap (guanine-N7-)-methyltransferase activity
GO:0008168 methyltransferase activity
Biological Process
GO:0006370 7-methylguanosine mRNA capping
GO:0032259 methylation
GO:0106005 RNA 5'-cap (guanine-N7)-methylation
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ri3, PDBe:1ri3, PDBj:1ri3
PDBsum1ri3
PubMed14731396
UniProtQ8SR66|MCES_ENCCU mRNA cap guanine-N7 methyltransferase (Gene Name=ABD1)

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