MolNFT v1 · #13536 · protein
Porcine kidney fructose-1,6-bisphosphatase complexed with an AMP-site inhibitor
1LEV: “Porcine kidney fructose-1,6-bisphosphatase complexed with an AMP-site inhibitor”. X-ray diffraction, 3 ligands (F6P, CLI, MN), 7 pockets (best druggability 0.55). MolNFT v1 #13536 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1LEV
- Type
- protein
- Length
- 622 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fructose-1,6-bisphosphatase
- EC
- 3.1.3.11
- UniProt
- P00636
- Ligands
- F6P, CLI, MN
- Pockets
- 7 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, F | Fructose-1,6-bisphosphatase (EC 3.1.3.11) | protein | 311 | 38% helix, 27% strand | P00636 |
Ligands and binding sites
- F6P · 6-O-phosphono-beta-D-fructofuranose · ligand · 2 copies · chains A, F
- CLI · 3-(2-carboxy-ethyl)-4,6-dichloro-1H-indole-2-carboxylic acid · ligand · 2 copies · chains A, F
- MN · Manganese (II) ion · metal · 4 copies · chains A, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 142 | 0.55 | 0.82 | 21 | CLI |
| 2 | 202 | 0.54 | 0.78 | 41 | F6P, MN |
| 3 | 163 | 0.54 | 0.79 | 24 | CLI |
| 4 | 123 | 0.48 | 0.80 | 25 | F6P, MN |
| 5 | 125 | 0.44 | 0.77 | 21 | empty |
Interfaces
1 interface between chains.
- A–F · 2188 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 1LEV · Porcine kidney fructose-1,6-bisphosphatase complexed with an AMP-site inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- P00636 · AlphaFold monomer V2.0 prediction for fructose-1,6-bisphosphatase 1 (P00636) · a predicted model of the same protein · chain A 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 P00636
- Elsewhere: RCSB PDB 1LEV · PDBe 1LEV · UniProt P00636
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