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
7OGJ
Crystal structure of human METTL1 in complex with SAH
- PDB DOI: https://doi.org/10.2210/pdb7OGJ/pdb
- Classification: TRANSFERASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2021-05-06 Released: 2021-05-19
- Funding Organization(s): Swiss National Science Foundation
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.59 Å
- R-Value Free: 0.215
- R-Value Work: 0.193
- R-Value Observed: 0.194
This is version 3.1 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 | |||||
| |||||
Small Molecules
| Ligands 5 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| SAH (Subject of Investigation/LOI) Query on SAH | D [auth A], M [auth B] | S-ADENOSYL-L-HOMOCYSTEINE C14 H20 N6 O5 S ZJUKTBDSGOFHSH-WFMPWKQPSA-N |  | ||
| PEG Query on PEG | H [auth A], I [auth A] | DI(HYDROXYETHYL)ETHER C4 H10 O3 MTHSVFCYNBDYFN-UHFFFAOYSA-N |  | ||
| SO4 Query on SO4 | P [auth B], Q [auth B] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| GOL Query on GOL | C [auth A] E [auth A] F [auth A] G [auth A] K [auth B] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| CL Query on CL | J [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.59 Å
- R-Value Free: 0.215
- R-Value Work: 0.193
- R-Value Observed: 0.194
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 63.57 | α = 90 |
| b = 80.46 | β = 90 |
| c = 138.23 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| XSCALE | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2021-05-19 Deposition Author(s): Nai, F., Bedi, R.K., Caflisch, A.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Swiss National Science Foundation | Switzerland | 310030B_189363 |
Revision History (Full details and data files)
- Version 1.0: 2021-05-19
Type: Initial release - Version 2.0: 2021-07-21
Type: Coordinate replacement
Reason: Ligand identity
Changes: Advisory, Atomic model, Data collection, Derived calculations, Non-polymer description, Refinement description, Structure summary - Version 3.0: 2023-08-09
Type: Coordinate replacement
Reason: Ligand identity
Changes: Advisory, Atomic model, Data collection, Database references, Derived calculations, Experimental preparation, Non-polymer description, Refinement description, Source and taxonomy, Structure summary - Version 3.1: 2023-12-20
Changes: Data collection, Database references
