Research workbench
Crystal structure of M. tuberculosis tres
Analyse Crystal structure of M. tuberculosis tres in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4LXF
- Type
- protein
- Length
- 1,116 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trehalose synthase
- EC
- 5.4.99.16
- UniProt
- I6X8K8
- Ligands
- CA, SO4
- Pockets
- 11 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Trehalose synthase (EC 5.4.99.16) | protein | 570 | 29% helix, 17% strand | I6X8K8 |
| B | Trehalose synthase (EC 5.4.99.16) | protein | 546 | 30% helix, 18% strand | I6X8K8 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
- GOL · Glycerol · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 823 | 0.77 | 0.81 | 82 | SO4 |
| 2 | 436 | 0.74 | 0.84 | 42 | empty |
| 3 | 162 | 0.50 | 0.78 | 24 | empty |
| 4 | 133 | 0.50 | 0.79 | 25 | empty |
| 5 | 61 | 0.49 | 0.85 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 793 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4LXF · Crystal structure of M. tuberculosis TreS · 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 I6X8K8
- Elsewhere: RCSB PDB 4LXF · PDBe 4LXF · UniProt I6X8K8
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