Research workbench
Crystal structure of human liver fbpase in complex with tricyclic inhibitor 10B
Analyse Crystal structure of human liver fbpase in complex with tricyclic inhibitor 10B in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3KC0
- Type
- protein
- Length
- 1,273 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fructose-1,6-bisphosphatase 1
- EC
- 3.1.3.11
- UniProt
- P09467
- Ligands
- 2T5
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fructose-1,6-bisphosphatase 1 (EC 3.1.3.11) | protein | 319 | 38% helix, 24% strand | P09467 |
| B, C, D | Fructose-1,6-bisphosphatase 1 (EC 3.1.3.11) | protein | 318 | 39% helix, 25% strand | P09467 |
Ligands and binding sites
- 2T5 · [(8H-indeno[1,2-d][1,3]thiazol-4-yloxy)methyl]phosphonic acid · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 864 | 0.85 | 0.87 | 94 | empty |
| 2 | 62 | 0.73 | 0.99 | 31 | empty |
| 3 | 60 | 0.72 | 0.98 | 30 | empty |
| 4 | 113 | 0.56 | 0.84 | 31 | empty |
| 5 | 190 | 0.54 | 0.79 | 36 | empty |
Interfaces
6 interfaces between chains.
- C–D · 2383 Ų buried · 31 hydrogen bonds · protein-protein
- A–B · 2372 Ų buried · 32 hydrogen bonds · protein-protein
- B–D · 1145 Ų buried · 23 hydrogen bonds · protein-protein
- A–C · 1124 Ų buried · 25 hydrogen bonds · protein-protein
- B–C · 440 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3KC0 · Crystal structure of human liver FBPase in complex with tricyclic inhibitor 10b · the same entry in another collection · chain D against D, TM-score 1.00
- P09467 · AlphaFold monomer V2.0 prediction for fructose-1,6-bisphosphatase 1 (P09467) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 P09467
- Elsewhere: RCSB PDB 3KC0 · PDBe 3KC0 · UniProt P09467
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