MolNFT v1 · #110509 · protein
Human platelet phosphofructokinase in an R-state in complex with ADP and F6P, crystal form I
4XZ2 · ATP-dependent 6-phosphofructokinase, platelet type: “Human platelet phosphofructokinase in an R-state in complex with ADP and F6P, crystal form I”. X-ray diffraction, 4 ligands (FBP, ADP, F6P), 20 pockets (best druggability 0.83).…
- PDB
- 4XZ2
- Type
- protein
- Length
- 2,865 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-dependent 6-phosphofructokinase, platelet type
- EC
- 2.7.1.11
- UniProt
- Q01813
- Ligands
- FBP, ADP, F6P, PO4
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 4 distinct chains · 48% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ATP-dependent 6-phosphofructokinase, platelet type (EC 2.7.1.11) | protein | 708 | 48% helix, 19% strand | Q01813 |
| B | ATP-dependent 6-phosphofructokinase, platelet type (EC 2.7.1.11) | protein | 728 | 48% helix, 19% strand | Q01813 |
| C | ATP-dependent 6-phosphofructokinase, platelet type (EC 2.7.1.11) | protein | 704 | 48% helix, 19% strand | Q01813 |
| D | ATP-dependent 6-phosphofructokinase, platelet type (EC 2.7.1.11) | protein | 725 | 48% helix, 18% strand | Q01813 |
Ligands and binding sites
- FBP · 1,6-di-O-phosphono-beta-D-fructofuranose · ligand · 4 copies · chains A, B, C, D
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains B, D
- F6P · 6-O-phosphono-beta-D-fructofuranose · ligand · 2 copies · chains A, B, C, D
- PO4 · Phosphate ion · ion · 6 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1049 | 0.83 | 0.84 | 103 | PO4 |
| 2 | 1178 | 0.83 | 0.84 | 121 | PO4 |
| 3 | 898 | 0.80 | 0.82 | 67 | empty |
| 4 | 1155 | 0.80 | 0.81 | 92 | empty |
| 5 | 892 | 0.80 | 0.82 | 68 | empty |
Interfaces
4 interfaces between chains.
- C–D · 2314 Ų buried · 42 hydrogen bonds · protein-protein
- A–B · 2247 Ų buried · 40 hydrogen bonds · protein-protein
- A–D · 792 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 750 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 4XZ2 · Human platelet phosphofructokinase in an R-state in complex with ADP and F6P, crystal… · the same entry in another collection · chain D against D, TM-score 1.00
- Q01813 · AlphaFold monomer V2.0 prediction for ATP-dependent 6-phosphofructokinase, platelet type… · a predicted model of the same protein · chain B against A, TM-score 1.00
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 Q01813
- Elsewhere: RCSB PDB 4XZ2 · PDBe 4XZ2 · UniProt Q01813
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