Research workbench
Crystal structure of apo fructose-1,6-bisphosphatase from mycobacterium tuberculosis
Analyse Crystal structure of apo fructose-1,6-bisphosphatase from mycobacterium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6AYY
- Type
- protein
- Length
- 620 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
- P9WN20
- Ligands
- UNX
- Pockets
- 6 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fructose-1,6-bisphosphatase class 2 (EC 3.1.3.11) | protein | 312 | 33% helix, 28% strand | P9WN20 |
| B | Fructose-1,6-bisphosphatase class 2 (EC 3.1.3.11) | protein | 308 | 34% helix, 27% strand | P9WN20 |
Ligands and binding sites
- UNX · Unknown atom or ion · ion · chains A
- GOL · Glycerol · additive · 20 copies · chains A, B
- CIT · Citric acid · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 839 | 0.80 | 0.83 | 94 | GOL |
| 2 | 259 | 0.51 | 0.75 | 33 | GOL |
| 3 | 240 | 0.49 | 0.75 | 33 | GOL |
| 4 | 73 | 0.40 | 0.79 | 17 | GOL |
| 5 | 71 | 0.36 | 0.77 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1215 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 6AYY · Crystal structure of Apo fructose-1,6-bisphosphatase from Mycobacterium tuberculosis · the same entry in another collection · chain A against A, TM-score 1.00
- P9WN20 · AlphaFold monomer V2.0 prediction for fructose-1,6-bisphosphatase class 2 (P9WN20) · 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 P9WN20
- Elsewhere: RCSB PDB 6AYY · PDBe 6AYY · UniProt P9WN20
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