MolNFT v1 · #100210 · protein
Mycobaterium tuberculosis transaminase bioa complexed with E)-5- hydroxy-4-(((Z)-ISONICOTINOYLDIAZENYL)METHYLENE)-6-methyl-1,4- dihydropyridin-3-YL)METHYL phosphate
4MQR · Adenosylmethionine-8-amino-7-oxononanoate aminotransferase: “Mycobaterium tuberculosis transaminase bioa complexed with E)-5…”. X-ray diffraction, 1 ligand (2B9), 5 pockets (best druggability 0.78). MolNFT v1 #100210 on GenesisL1…
- PDB
- 4MQR
- Type
- protein
- Length
- 857 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenosylmethionine-8-amino-7-oxononanoate aminotransferase
- EC
- 2.6.1.62
- UniProt
- P0A4X6
- Ligands
- 2B9
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase (EC 2.6.1.62) | protein | 428 | 39% helix, 20% strand | P0A4X6 |
| B | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase (EC 2.6.1.62) | protein | 429 | 42% helix, 19% strand | P0A4X6 |
Ligands and binding sites
- 2B9 · [(4Z)-5-hydroxy-6-methyl-4-{[(E)-(pyridin-4-ylcarbonyl)diazenyl]methylidene}-1,4-dihydropyridin-3-yl]methyl dihydrogen phosphate · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 746 | 0.78 | 0.82 | 85 | 2B9 |
| 2 | 769 | 0.77 | 0.81 | 86 | 2B9 |
| 3 | 173 | 0.62 | 0.83 | 28 | empty |
| 4 | 75 | 0.38 | 0.78 | 18 | empty |
| 5 | 75 | 0.35 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 4933 Ų buried · 59 hydrogen bonds · protein-protein
Compared structures
- 4MQR · Mycobaterium tuberculosis transaminase BioA complexed with… · 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 P0A4X6
- Elsewhere: RCSB PDB 4MQR · PDBe 4MQR · UniProt P0A4X6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.