MolNFT v1 · #161778 · protein
Crystal structure of trmd, a tRNA-(N1G37) methyltransferase, from mycobacterium abscessus in complex with fragment 27 (methyl 2- (hydroxymethyl)-6H-THIENO[2,3-B]PYRROLE-5-carboxylate)
6QOX · TRNA (guanine-N(1)-)-methyltransferase: “Crystal structure of trmd, a tRNA-(N1G37) methyltransferase, from mycobacterium abscessus in complex with…”. X-ray diffraction, 1 ligand (JA5), 4 pockets (best druggability 0.73). MolNFT v1…
- PDB
- 6QOX
- Type
- protein
- Length
- 425 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
- JA5
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 39% 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 | 213 | 38% helix, 21% strand | B1MDI3 |
Ligands and binding sites
- JA5 · methyl 2-(hydroxymethyl)-6~{H}-thieno[2,3-b]pyrrole-5-carboxylate · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 419 | 0.73 | 0.83 | 58 | empty |
| 2 | 452 | 0.71 | 0.82 | 59 | JA5 |
| 3 | 134 | 0.68 | 0.89 | 18 | empty |
| 4 | 166 | 0.46 | 0.76 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 3533 Ų buried · 72 hydrogen bonds · protein-protein
Compared structures
- 6QOX · 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 6QOX · PDBe 6QOX · UniProt B1MDI3
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