MolNFT v1 · #121370 · protein
Human heart 6-phosphofructo-2-KINASE/FRUCTOSE-2,6-bisphosphatase (PFKFB2)
5HTK · 6-phosphofructo-2-KINASE/FRUCTOSE-2,6-bisphosphatase 2: “Human heart 6-phosphofructo-2-KINASE/FRUCTOSE-2,6-bisphosphatase (PFKFB2)”. X-ray diffraction, 3 ligands (ATP, F6P, MG), 11 pockets (best druggability 0.82). MolNFT v1 #121370…
- PDB
- 5HTK
- Type
- protein
- Length
- 845 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 6-phosphofructo-2-KINASE/FRUCTOSE-2,6-bisphosphatase 2
- EC
- 2.7.1.105, 3.1.3.46
- UniProt
- O60825
- Ligands
- ATP, F6P, MG
- Pockets
- 11 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 6-phosphofructo-2-KINASE/FRUCTOSE-2,6-bisphosphatase 2 (EC 2.7.1.105, 3.1.3.46) | protein | 425 | 45% helix, 16% strand | O60825 |
| B | 6-phosphofructo-2-KINASE/FRUCTOSE-2,6-bisphosphatase 2 (EC 2.7.1.105, 3.1.3.46) | protein | 420 | 44% helix, 17% strand | O60825 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- F6P · 6-O-phosphono-beta-D-fructofuranose · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 8 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
- FLC · Citrate anion · additive · 2 copies · chains A, B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 557 | 0.82 | 0.87 | 57 | FLC, ATP, MG, GOL |
| 2 | 551 | 0.81 | 0.87 | 54 | FLC, ATP, MG, GOL |
| 3 | 966 | 0.76 | 0.79 | 82 | EDO, MES |
| 4 | 115 | 0.65 | 0.89 | 28 | F6P |
| 5 | 108 | 0.65 | 0.89 | 25 | F6P |
Interfaces
1 interface between chains.
- A–B · 1599 Ų buried · 28 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 5HTK · Human Heart 6-Phosphofructo-2-Kinase/Fructose-2,6-Bisphosphatase (PFKFB2) · the same entry in another collection · chain A against A, TM-score 1.00
- O60825 · AlphaFold monomer V2.0 prediction for 6-phosphofructo-2-KINASE/FRUCTOSE-2,6-bisphosphatase… · a predicted model of the same protein · chain B against A, TM-score 0.92
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 O60825
- Elsewhere: RCSB PDB 5HTK · PDBe 5HTK · UniProt O60825
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