MolNFT v1 · #131251 · protein
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 2-(4-METHOXYPHENYL)FURAN-3,4-dicarboxylic acid
5PZQ: “Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed…”. X-ray diffraction, 1 ligand (93V), 20 pockets (best druggability 0.85). MolNFT v1 #131251 on GenesisL1: 3D structure…
- PDB
- 5PZQ
- Type
- protein
- Length
- 1,270 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
- Q2TU34
- Ligands
- 93V
- 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, C | Fructose-1,6-bisphosphatase 1 (EC 3.1.3.11) | protein | 318 | 39% helix, 26% strand | Q2TU34 |
| B, D | Fructose-1,6-bisphosphatase 1 (EC 3.1.3.11) | protein | 317 | 39% helix, 25% strand | Q2TU34 |
Ligands and binding sites
- 93V · 2-(4-methoxyphenyl)furan-3,4-dicarboxylic 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, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 992 | 0.85 | 0.85 | 103 | empty |
| 2 | 51 | 0.69 | 0.98 | 24 | empty |
| 3 | 470 | 0.67 | 0.79 | 55 | 93V |
| 4 | 259 | 0.63 | 0.81 | 34 | 93V |
| 5 | 59 | 0.58 | 0.90 | 26 | empty |
Interfaces
6 interfaces between chains.
- A–B · 2366 Ų buried · 31 hydrogen bonds · protein-protein
- C–D · 2331 Ų buried · 29 hydrogen bonds · protein-protein
- B–D · 1129 Ų buried · 25 hydrogen bonds · protein-protein
- A–C · 1041 Ų buried · 28 hydrogen bonds · protein-protein
- A–D · 442 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5PZQ · Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase… · the same entry in another collection · chain D against D, 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 5PZQ · PDBe 5PZQ · UniProt Q2TU34
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