MolNFT v1 · #123400 · protein
Structure of mycobacterium thermoresistibile trehalose-6-phosphate synthase ternary complex with ADP and glucose-6-phosphate.
5JIO · ALPHA,ALPHA-trehalose-phosphate synthase: “Structure of mycobacterium thermoresistibile trehalose-6-phosphate synthase ternary complex with ADP and…”. X-ray diffraction, 2 ligands (ADP, G6P), 4 pockets (best druggability 0.80).…
- PDB
- 5JIO
- Type
- protein
- Length
- 467 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ALPHA,ALPHA-trehalose-phosphate synthase
- UniProt
- A0A117IMA6
- Ligands
- ADP, G6P
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ALPHA,ALPHA-trehalose-phosphate synthase | protein | 467 | 45% helix, 21% strand | A0A117IMA6 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- G6P · 6-O-phosphono-alpha-D-glucopyranose · sugar · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 572 | 0.80 | 0.86 | 61 | ADP, G6P |
| 2 | 73 | 0.43 | 0.81 | 21 | empty |
| 3 | 75 | 0.40 | 0.79 | 14 | empty |
| 4 | 70 | 0.31 | 0.75 | 22 | empty |
Compared structures
- 5JIO · Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase ternary… · 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 A0A117IMA6
- Elsewhere: RCSB PDB 5JIO · PDBe 5JIO · UniProt A0A117IMA6
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