MolNFT v1 · #143413 · protein
Crystal structure of fructose-1,6-bisphosphatase T84S from mycobacterium tuberculosis
6AYU · Fructose-1,6-bisphosphatase class 2: “Crystal structure of fructose-1,6-bisphosphatase T84S from mycobacterium tuberculosis”. X-ray diffraction, 2 ligands (F6P, MG), 8 pockets (best druggability 0.81). MolNFT v1 #143413 on…
- PDB
- 6AYU
- Type
- protein
- Length
- 626 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fructose-1,6-bisphosphatase class 2
- EC
- 3.1.3.11
- UniProt
- A5U1E6
- Ligands
- F6P, MG
- Pockets
- 8 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fructose-1,6-bisphosphatase class 2 (EC 3.1.3.11) | protein | 319 | 33% helix, 26% strand | A5U1E6 |
| B | Fructose-1,6-bisphosphatase class 2 (EC 3.1.3.11) | protein | 307 | 33% helix, 28% strand | A5U1E6 |
Ligands and binding sites
- F6P · 6-O-phosphono-beta-D-fructofuranose · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 3 copies · chains A, B
- GOL · Glycerol · additive · 7 copies · chains A, B
- MLI · Malonate ion · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 922 | 0.81 | 0.83 | 96 | MLI, GOL |
| 2 | 170 | 0.55 | 0.80 | 30 | empty |
| 3 | 307 | 0.53 | 0.75 | 37 | F6P, GOL |
| 4 | 276 | 0.52 | 0.75 | 37 | F6P, MG, GOL |
| 5 | 137 | 0.50 | 0.79 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1268 Ų buried · 32 hydrogen bonds · protein-protein
Compared structures
- 6AYU · Crystal structure of fructose-1,6-bisphosphatase T84S from Mycobacterium tuberculosis · the same entry in another collection · chain A against A, TM-score 1.00
- A5U1E6 · AlphaFold monomer V2.0 prediction for fructose-1,6-bisphosphatase class 2 (A5U1E6) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 A5U1E6
- Elsewhere: RCSB PDB 6AYU · PDBe 6AYU · UniProt A5U1E6
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