MolNFT v1 · #99662 · protein
S-glutathionylated PFKFB3
4MA4 · 6-phosphofructo-2-KINASE/FRUCTOSE-2,6-bisphosphatase 3: “S-glutathionylated PFKFB3”. X-ray diffraction, 3 ligands (ADP, GSH, F6P), 2 pockets (best druggability 0.83). MolNFT v1 #99662 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4MA4
- Type
- protein
- Length
- 444 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 6-phosphofructo-2-KINASE/FRUCTOSE-2,6-bisphosphatase 3
- EC
- 2.7.1.105, 3.1.3.46
- UniProt
- Q16875
- Ligands
- ADP, GSH, F6P
- Pockets
- 2 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 6-phosphofructo-2-KINASE/FRUCTOSE-2,6-bisphosphatase 3 (EC 2.7.1.105, 3.1.3.46) | protein | 444 | 43% helix, 17% strand | Q16875 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- GSH · Glutathione · ligand · chains A
- F6P · 6-O-phosphono-beta-D-fructofuranose · ligand · chains A
- MLA · Malonic acid · additive · 2 copies · chains A
- ACY · Acetic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 702 | 0.83 | 0.87 | 77 | ADP, MLA |
| 2 | 254 | 0.77 | 0.90 | 42 | ACY, F6P |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
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 4MA4 · PDBe 4MA4 · UniProt Q16875
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