Download MendeleySmall-Molecule Inhibitors of the m7G-RNA Writer METTL1
Nai, F., Flores Espinoza, M.P., Invernizzi, A., Vargas-Rosales, P.A., Bobileva, O., Herok, M., Caflisch, A.(2023) ACS Bio Med Chem Au
7PL1
Crystal structure of human METTL1 bound to Sinefungin
- PDB DOI: https://doi.org/10.2210/pdb7PL1/pdb
- Classification: TRANSFERASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2021-08-27 Released: 2021-09-15
- Funding Organization(s): Swiss National Science Foundation
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.85 Å
- R-Value Free: 0.212
- R-Value Work: 0.190
- R-Value Observed: 0.191
This is version 2.1 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| tRNA (guanine-N(7)-)-methyltransferase | 252 | Homo sapiens | Mutation(s): 0 Gene Names: METTL1, C12orf1 EC: 2.1.1.33 (PDB Primary Data), 2.1.1 (PDB Primary Data) |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q9UBP6 (Homo sapiens) Explore Q9UBP6 Go to UniProtKB: Q9UBP6 | |||||
PHAROS: Q9UBP6 GTEx: ENSG00000037897 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q9UBP6 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| SFG (Subject of Investigation/LOI) Query on SFG | H [auth A] | SINEFUNGIN C15 H23 N7 O5 LMXOHSDXUQEUSF-YECHIGJVSA-N |  | ||
| PEG Query on PEG | D [auth A], E [auth A], F [auth A] | DI(HYDROXYETHYL)ETHER C4 H10 O3 MTHSVFCYNBDYFN-UHFFFAOYSA-N |  | ||
| GOL Query on GOL | B [auth A], C [auth A], G [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.85 Å
- R-Value Free: 0.212
- R-Value Work: 0.190
- R-Value Observed: 0.191
- Space Group: P 43 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 128.76 | α = 90 |
| b = 128.76 | β = 90 |
| c = 39.43 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| XSCALE | data scaling |
| PHENIX | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2021-09-15 Deposition Author(s): Nai, F., Caflisch, A.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Swiss National Science Foundation | Switzerland | 310030B_189363 |
Revision History (Full details and data files)
- Version 1.0: 2021-09-15
Type: Initial release - Version 2.0: 2023-08-16
Type: Coordinate replacement
Reason: Ligand identity
Changes: Advisory, Atomic model, Data collection, Derived calculations, Experimental preparation, Non-polymer description, Refinement description, Source and taxonomy, Structure summary - Version 2.1: 2023-12-20
Changes: Database references
