Structure of PDB 6irz Chain A Binding Site BS02

Receptor Information
>6irz Chain A (length=467) 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
VPEWRDPPTPALTRMEASRFRRHQMTVPAFEHEYRHGTAVIFLQNNAGFA
KWEPTTERIQELLAAYK
Ligand information
Ligand IDM7G
InChIInChI=1S/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/p+1/t4-,6-,7-,10-/m1/s1
InChIKeySBASPRRECYVBRF-KQYNXXCUSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC1OC(n2c[n+](C)c3c2N=C(N)NC3=O)C(O)C1O
OpenEye OEToolkits 2.0.7C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.385C[n+]1cn([CH]2O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)c3N=C(N)NC(=O)c13
CACTVS 3.385C[n+]1cn([C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O)c3N=C(N)NC(=O)c13
FormulaC11 H18 N5 O11 P2
Name7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE
ChEMBL
DrugBankDB01960
ZINCZINC000013548083
PDB chain6irz Chain A Residue 705 [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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PDB6irz Cap-specific terminal N 6 -methylation of RNA by an RNA polymerase II-associated methyltransferase.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R239 R269 E563 W593 P596
Binding residue
(residue number reindexed from 1)		R62 R92 E374 W404 P407
Annotation score1
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:6irz, PDBe:6irz, PDBj:6irz
PDBsum6irz
PubMed30467178
UniProtA0A0R4IKJ1|CAPAM_DANRE mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase (Gene Name=pcif1)

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