MolNFT v1 · #143359 · protein
Mycobacterium tuberculosis methionyl-tRNA synthetase in complex with methionyl-adenylate
6AX8 · Methionine-tRNA ligase: “Mycobacterium tuberculosis methionyl-tRNA synthetase in complex with methionyl-adenylate”. X-ray diffraction, 1 ligand (ME8), 2 pockets (best druggability 0.75). MolNFT v1 #143359 on GenesisL1: 3D structure…
- PDB
- 6AX8
- Type
- protein
- Length
- 509 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methionine-tRNA ligase
- EC
- 6.1.1.10
- UniProt
- P9WFU5
- Ligands
- ME8
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Methionine-tRNA ligase (EC 6.1.1.10) | protein | 509 | 51% helix, 16% strand | P9WFU5 |
Ligands and binding sites
- ME8 · [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] (2S)-2-azanyl-4-methylsulfanyl-butanoate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 627 | 0.75 | 0.81 | 56 | ME8 |
| 2 | 136 | 0.49 | 0.78 | 19 | empty |
Compared structures
- 6AX8 · Mycobacterium tuberculosis methionyl-tRNA synthetase in complex with methionyl-adenylate · the same entry in another collection · chain A against A, TM-score 1.00
- P9WFU5 · AlphaFold monomer V2.0 prediction for methionine--tRNA ligase (P9WFU5) · a predicted model of the same protein · chain A against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P9WFU5
- Elsewhere: RCSB PDB 6AX8 · PDBe 6AX8 · UniProt P9WFU5
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