MolNFT v1 · #34971 · protein
A pseudo substrate complex of 6-phosphofructo-2-kinase of pfkfb
2DWP · 6-phosphofructo-2-KINASE/FRUCTOSE-2,6-biphosphatase 3: “A pseudo substrate complex of 6-phosphofructo-2-kinase of pfkfb”. X-ray diffraction, 3 ligands (F6P, ACP, MG), 6 pockets (best druggability 0.81). MolNFT v1 #34971 on…
- PDB
- 2DWP
- Type
- protein
- Length
- 431 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 6-phosphofructo-2-KINASE/FRUCTOSE-2,6-biphosphatase 3
- EC
- 2.7.1.105, 3.1.3.46
- UniProt
- Q16875
- Ligands
- F6P, ACP, MG
- Pockets
- 6 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 6-phosphofructo-2-KINASE/FRUCTOSE-2,6-biphosphatase 3 (EC 2.7.1.105, 3.1.3.46) | protein | 431 | 43% helix, 18% strand | Q16875 |
Ligands and binding sites
- F6P · 6-O-phosphono-beta-D-fructofuranose · ligand · 2 copies · chains A
- ACP · Phosphomethylphosphonic acid adenylate ester · ligand · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 452 | 0.81 | 0.88 | 50 | F6P, MG, ACP |
| 2 | 161 | 0.73 | 0.91 | 31 | F6P |
| 3 | 72 | 0.63 | 0.92 | 21 | empty |
| 4 | 64 | 0.61 | 0.91 | 15 | empty |
| 5 | 142 | 0.51 | 0.79 | 17 | empty |
Compared structures
- 2DWP · A pseudo substrate complex of 6-phosphofructo-2-kinase of PFKFB · the same entry in another collection · chain A against A, TM-score 1.00
- Q16875 · AlphaFold monomer V2.0 prediction for 6-phosphofructo-2-KINASE/FRUCTOSE-2,6-bisphosphatase… · 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 Q16875
- Elsewhere: RCSB PDB 2DWP · PDBe 2DWP · UniProt Q16875
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