Structure of PDB 6irw Chain B Binding Site BS01

Receptor Information
>6irw Chain B (length=491) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENLYFQGSHVYWDLDIQTNAVIKHRGPSEVLPPHPEVELLRSQLILKLRQ
HYRELCQQREGIEPPRESFNRWMLERKVVDKGSDPLLPSNCEPVVSPSMF
REIMNDIPIRLSFREEAKRLLFKYAEAARRLIESRSASPDSRKVVKWNVE
DTFSWLRKDHSASKEDYMDRLEHLRRQCGPHVSAAAKDSVEGICSKIYHI
SLEYVKRIREKHLAILKENNISEEVEAPEVEPRLVYCYPVRLAVSAPPMP
SVEMHMENNVVCIRYKGEMVKVSRNYFSKLWLLYRYSCIDDSAFERFLPR
VWCLLRRYQMMFQGSLPVHVFEALHRLFGVSFECFASPLNCYFRQYCSAF
PDTDGYFGSRGPCLDFAPLSGSFEANPPFCEELMDAMVSHFERLLESSPE
PLSFIVFIPEWREPPTPALTRMEQSRFKRHQLILPAFEHEYRSGSQHICK
KEEMHYKAVHNTAVLFLQNDPGFAKWAPTPERLQELSAAYR
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 B Residue 701 [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]
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)		L238 S492 L493 E510 F512 A513 N517 C524 S525 A526 C540 E551 N553 P555
Binding residue
(residue number reindexed from 1)		L74 S315 L316 E333 F335 A336 N340 C347 S348 A349 C363 E374 N376 P378
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)

[Back to BioLiP]