MolNFT v1 · #15082 · protein
Crystal structure of a phosphofructokinase mutant from bacillus stearothermophilus bound with fructose-6-phosphate
1MTO · 6-phosphofructokinase: “Crystal structure of a phosphofructokinase mutant from bacillus stearothermophilus bound with…”. X-ray diffraction, 1 ligand (F6P), 20 pockets (best druggability 0.86). MolNFT v1 #15082 on GenesisL1: 3D…
- PDB
- 1MTO
- Type
- protein
- Length
- 2,552 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 6-phosphofructokinase
- EC
- 2.7.1.11
- UniProt
- P00512
- Ligands
- F6P
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | 6-phosphofructokinase (EC 2.7.1.11) | protein | 319 | 43% helix, 19% strand | P00512 |
Ligands and binding sites
- F6P · 6-O-phosphono-beta-D-fructofuranose · ligand · 8 copies · chains A, B, C, D, E, F, G, 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, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1078 | 0.86 | 0.87 | 99 | empty |
| 2 | 931 | 0.85 | 0.87 | 80 | empty |
| 3 | 116 | 0.77 | 0.96 | 28 | empty |
| 4 | 523 | 0.76 | 0.84 | 69 | F6P |
| 5 | 76 | 0.74 | 0.97 | 26 | empty |
Interfaces
16 interfaces between chains.
- E–G · 1992 Ų buried · 24 hydrogen bonds · protein-protein
- F–H · 1933 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 1933 Ų buried · 26 hydrogen bonds · protein-protein
- B–D · 1888 Ų buried · 21 hydrogen bonds · protein-protein
- E–F · 1366 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 1MTO · Crystal structure of a Phosphofructokinase mutant from Bacillus stearothermophilus bound… · the same entry in another collection · chain H against H, TM-score 1.00
- P00512 · AlphaFold monomer V2.0 prediction for ATP-dependent 6-phosphofructokinase (P00512) · 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 P00512
- Elsewhere: RCSB PDB 1MTO · PDBe 1MTO · UniProt P00512
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