Research workbench
Crystal structure of the complex of phosphofructokinase from escherichia COLI with its reaction products
Analyse Crystal structure of the complex of phosphofructokinase from escherichia COLI… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1PFK
- Type
- protein
- Length
- 640 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphofructokinase
- EC
- 2.7.1.11
- UniProt
- P0A796
- Ligands
- ADP, FBP, MG
- Pockets
- 10 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Phosphofructokinase (EC 2.7.1.11) | protein | 320 | 47% helix, 19% strand | P0A796 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 4 copies · chains A, B
- FBP · 1,6-di-O-phosphono-beta-D-fructofuranose · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 240 | 0.66 | 0.84 | 32 | empty |
| 2 | 149 | 0.62 | 0.85 | 31 | empty |
| 3 | 222 | 0.56 | 0.79 | 33 | FBP, MG, ADP |
| 4 | 260 | 0.55 | 0.77 | 34 | FBP, ADP |
| 5 | 234 | 0.53 | 0.76 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 1964 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 1PFK · Crystal structure of the complex of phosphofructokinase from escherichia COLI with its… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A796 · AlphaFold monomer V2.0 prediction for ATP-dependent 6-phosphofructokinase isozyme 1… · 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 P0A796
- Elsewhere: RCSB PDB 1PFK · PDBe 1PFK · UniProt P0A796
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