Research workbench
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(4-bromo-5-chlorothiophen-2-YL)SULFONYL-3-(5-bromo-1,3-thiazol-2- YL)UREA
Analyse Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5Q04
- Type
- protein
- Length
- 2,540 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fructose-1,6-bisphosphatase 1
- EC
- 3.1.3.11
- UniProt
- Q2TU34
- Ligands
- 95P
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E | Fructose-1,6-bisphosphatase 1 (EC 3.1.3.11) | protein | 319 | 39% helix, 25% strand | Q2TU34 |
| B, C, D, F, G, H | Fructose-1,6-bisphosphatase 1 (EC 3.1.3.11) | protein | 317 | 39% helix, 25% strand | Q2TU34 |
Ligands and binding sites
- 95P · 4-bromo-N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-chlorothiophene-2-sulfonamide · ligand · 8 copies · chains A, C, B, D, E, G, F, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 996 | 0.85 | 0.85 | 94 | empty |
| 2 | 744 | 0.84 | 0.87 | 73 | empty |
| 3 | 768 | 0.75 | 0.80 | 110 | empty |
| 4 | 391 | 0.66 | 0.80 | 48 | 95P |
| 5 | 375 | 0.65 | 0.79 | 48 | 95P |
Interfaces
14 interfaces between chains.
- A–B · 2379 Ų buried · 33 hydrogen bonds · protein-protein
- C–D · 2367 Ų buried · 32 hydrogen bonds · protein-protein
- E–F · 2353 Ų buried · 29 hydrogen bonds · protein-protein
- G–H · 2343 Ų buried · 35 hydrogen bonds · protein-protein
- F–H · 1306 Ų buried · 34 hydrogen bonds · protein-protein
Compared structures
- 5Q04 · Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase… · 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 Q2TU34
- Elsewhere: RCSB PDB 5Q04 · PDBe 5Q04 · UniProt Q2TU34
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