MolNFT v1 · #147982 · protein
Human PFKFB3 in complex with KAN0438241
6ETJ · 6-phosphofructo-2-KINASE/FRUCTOSE-2,6-bisphosphatase 3: “Human PFKFB3 in complex with KAN0438241”. X-ray diffraction, 3 ligands (F6P, BWW, ADP), 2 pockets (best druggability 0.82). MolNFT v1 #147982 on GenesisL1: 3D structure…
- PDB
- 6ETJ
- Type
- protein
- Length
- 432 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
- F6P, BWW, ADP
- Pockets
- 2 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 18% 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 | 432 | 44% helix, 18% strand | Q16875 |
Ligands and binding sites
- F6P · 6-O-phosphono-beta-D-fructofuranose · ligand · chains A
- BWW · 4-[[3-(5-fluoranyl-2-oxidanyl-phenyl) phenyl]sulfonylamino]-2-oxidanyl-benzoic acid · ligand · chains A
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- DMS · Dimethyl sulfoxide · 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 | 648 | 0.82 | 0.86 | 81 | BWW, ADP |
| 2 | 218 | 0.71 | 0.88 | 46 | F6P |
Modifications
Observed in the structure: 1 modified (phosphorylation).
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 6ETJ · PDBe 6ETJ · UniProt Q16875
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