Structure of PDB 6iry Chain A Binding Site BS01

Receptor Information
>6iry Chain A (length=468) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VYWDLDIQTNAVIRERAPADHLPPHPEIELQRAQLTTKLRQHYHELCSQR
EGIEPPRESFNRWLLERKVVDKGLDPLLPSECDPVISPSMFREIMNDIPI
RLSRIKYKEEARKLLFKYAEAAKKMIDSRNVTPESRKVVKWNVEDTMNWL
RRDHSASKEDYMDRLENLRKQCGPHVASVAKDSVEGICSKIYHISAEYVR
RIRQAHLTLLKECNISVDVQDRLVYCYPVRLSIPAPPQTRVELHFENDIA
CLRFKGEMVKVSRGHFNKLELLYRYSCIDDPRFEKFLSRVWCLIKRYQVM
FGSGLQGSLPVPVFEALNKQFGVTFECFASPLNCYFKQFCSAFPDIDGFF
GSRGPFLSFSPASGSFEANPPFCEELMDAMVTHFEDLLGRSSEPLSFIIF
VPEWRDPPTPALTRMEASRFRRHQMTVPAFEHEYRIHGTAVIFLQNNAGF
AKWEPTTERIQELLAAYK
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 chain6iry 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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PDB6iry Cap-specific terminal N 6 -methylation of RNA by an RNA polymerase II-associated methyltransferase.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Q495 L498 F503 E515 F517 A518 N522 S530 A531 F545 E556 N558 P560
Binding residue
(residue number reindexed from 1)		Q306 L309 F314 E326 F328 A329 N333 S341 A342 F356 E367 N369 P371
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:6iry, PDBe:6iry, PDBj:6iry
PDBsum6iry
PubMed30467178
UniProtA0A0R4IKJ1|CAPAM_DANRE mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase (Gene Name=pcif1)

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