Structure of PDB 6irw Chain A Binding Site BS01

Receptor Information
>6irw Chain A (length=494) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENLYFQGSHVYWDLDIQTNAVIKHRGPSEVLPPHPEVELLRSQLILKLRQ
HYRELCQQREGIEPPRESFNRWMLERKVVDKGSDPLLPSNCEPVVSPSMF
REIMNDIPIRLSRIKFREEAKRLLFKYAEAARRLIESRSASPDSRKVVKW
NVEDTFSWLRKDHSASKEDYMDRLEHLRRQCGPHVSAAAKDSVEGICSKI
YHISLEYVKRIREKHLAILKENNISEEVEAPEVEPRLVYCYPVRLAVSAP
PMPSVEMHMENNVVCIRYKGEMVKVSRNYFSKLWLLYRYSCIDDSAFERF
LPRVWCLLRRYQMMFQGSLPVHVFEALHRLFGVSFECFASPLNCYFRQYC
SAFPDTDGYFGSRGPCLDFAPLSGSFEANPPFCEELMDAMVSHFERLLES
SPEPLSFIVFIPEWREPPTPALTRMEQSRFKRHQLILPAFEHEYRSGSQH
ICKKEEMHYKAVHNTAVLFLQNDPGFAKWAPTPERLQELSAAYR
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 chain6irw Chain A Residue 701 [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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PDB6irw Cap-specific terminal N 6 -methylation of RNA by an RNA polymerase II-associated methyltransferase.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		S492 L493 E510 F512 A513 N517 C524 S525 A526 C540 E551 N553 P555
Binding residue
(residue number reindexed from 1)		S318 L319 E336 F338 A339 N343 C350 S351 A352 C366 E377 N379 P381
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.62: mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase.
Gene Ontology
Molecular Function
GO:0016422 mRNA (2'-O-methyladenosine-N6-)-methyltransferase activity
GO:0099122 RNA polymerase II C-terminal domain binding

View graph for
Molecular Function
External links
PDB RCSB:6irw, PDBe:6irw, PDBj:6irw
PDBsum6irw
PubMed30467178
UniProtQ9H4Z3|CAPAM_HUMAN mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase (Gene Name=PCIF1)

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