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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).

ChainMoleculeTypeResiduesSecondary structureUniProt
AATP-dependent 6-phosphofructokinase, platelet type (EC 2.7.1.11)protein70848% helix, 19% strandQ01813
BATP-dependent 6-phosphofructokinase, platelet type (EC 2.7.1.11)protein72848% helix, 19% strandQ01813
CATP-dependent 6-phosphofructokinase, platelet type (EC 2.7.1.11)protein70448% helix, 19% strandQ01813
DATP-dependent 6-phosphofructokinase, platelet type (EC 2.7.1.11)protein72548% helix, 18% strandQ01813

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110490.830.84103PO4
211780.830.84121PO4
38980.800.8267empty
411550.800.8192empty
58920.800.8268empty

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

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