MolNFT v1 · #161774 · protein
Crystal structure of trmd, a tRNA-(N1G37) methyltransferase, from mycobacterium abscessus in complex with fragment 23 (3-amino-5-(4- METHOXYPHENYL)PYRAZOLE)
6QOT · TRNA (guanine-N(1)-)-methyltransferase: “Crystal structure of trmd, a tRNA-(N1G37) methyltransferase, from mycobacterium abscessus in complex with…”. X-ray diffraction, 1 ligand (6SD), 7 pockets (best druggability 0.74). MolNFT v1…
- PDB
- 6QOT
- Type
- protein
- Length
- 424 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TRNA (guanine-N(1)-)-methyltransferase
- EC
- 2.1.1.228
- UniProt
- B1MDI3
- Ligands
- 6SD
- Pockets
- 7 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TRNA (guanine-N(1)-)-methyltransferase (EC 2.1.1.228) | protein | 212 | 39% helix, 21% strand | B1MDI3 |
| B | TRNA (guanine-N(1)-)-methyltransferase (EC 2.1.1.228) | protein | 212 | 35% helix, 21% strand | B1MDI3 |
Ligands and binding sites
- 6SD · 3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 225 | 0.74 | 0.89 | 38 | 6SD, EDO |
| 2 | 443 | 0.74 | 0.84 | 61 | 6SD |
| 3 | 86 | 0.68 | 0.92 | 17 | empty |
| 4 | 151 | 0.47 | 0.78 | 23 | empty |
| 5 | 53 | 0.37 | 0.79 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 3606 Ų buried · 77 hydrogen bonds · protein-protein
Compared structures
- 6QOT · Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus… · the same entry in another collection · chain A against A, TM-score 1.00
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 B1MDI3
- Elsewhere: RCSB PDB 6QOT · PDBe 6QOT · UniProt B1MDI3
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