Structure of PDB 4n48 Chain A Binding Site BS03

Receptor Information
>4n48 Chain A (length=401) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDWRDEPEPSACEQVSWFPECTTEIPDTQEMSDWMVVGKRKMIIEDETEF
CGEELLHSVLQCKSVFDVLDGEEMRRARTRANPYEMIRGVFFLNRAAMKM
ANMDFVFDRMFTNPRDSYGKPLVKDRELLYFADVCAGPGGFSEYVLWRKK
WHAKGFGMTLKGPNDFKLEDFSELFEPYYGEGGIDGDGDITRPENISAFR
NFVLDNTDRKGVHFLMADGGFSVEGQENLQEILSKQLLLCQFLMALSIVR
TGGHFICKTFDLFTPFSVGLVYLLYCCFERVCLFKPITSRPANSERYVVC
KGLKVGIDDVRDYLFAVNIKLNQLRNTDSDVNLVVPLEVIKGDHEFTDYM
IRSNESHCSLQIKALAKIHAFVQDTTLSEPRQAEIRKECLRLWGIPDQAR
V
Ligand information
Ligand IDMGT
InChIInChI=1S/C11H20N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1
InChIKeyBUJQMJUTTBGELS-KQYNXXCUSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(N1C=2N=C(N)NC(=O)C=2N(C1)C)C(O)C3O
OpenEye OEToolkits 1.5.0CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
CACTVS 3.341CN1CN([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O)C3=C1C(=O)NC(=N3)N
CACTVS 3.341CN1CN([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N
OpenEye OEToolkits 1.5.0CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O
FormulaC11 H20 N5 O14 P3
Name7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1234306
DrugBankDB03358
ZINCZINC000036753028
PDB chain4n48 Chain D Residue 101 [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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PDB4n48 Structural analysis of human 2'-O-ribose methyltransferases involved in mRNA cap structure formation.
Resolution2.704 Å
Binding residue
(original residue number in PDB)		K203 S204 F206 D207 M214 R218 E373 N439
Binding residue
(residue number reindexed from 1)		K63 S64 F66 D67 M74 R78 E227 N293
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.57: methyltransferase cap1.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
Biological Process
GO:0032259 methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4n48, PDBe:4n48, PDBj:4n48
PDBsum4n48
PubMed24402442
UniProtQ8N1G2|CMTR1_HUMAN Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 (Gene Name=CMTR1)

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