› 4d4k

X-ray diffraction
3.24Å resolution

human PFKFB3 in complex with a pyrrolopyrimidone compound

Released:
DOI: 10.2210/pdb4d4k/pdb
PDB entry 4d4k coloured by chain, front view.
PDB entry 4d4k coloured by chain, side view.
PDB entry 4d4k coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Stgallay SA, Bennett N, Critchlow S, Davies G, Debreczeni JE, Evans N, Holdgate G, Jones NP, Leach L, Maman S, McLoughlin S, Preston M, Rigoreau L, Thomas A, Walker G, Walsch J, Ward RA, Wheatley E, Winter J

Function and Biology Details

Reactions catalysed: 
ATP + D-fructose 6-phosphate = ADP + beta-D-fructose 2,6-bisphosphate
Beta-D-fructose 2,6-bisphosphate + H(2)O = D-fructose 6-phosphate + phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172610 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 Chain: A
Molecule details ›
Chain: A
Length: 449 amino acids
Theoretical weight: 52.07 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q16875 (Residues: 1-449; Coverage: 86%)
Gene name: PFKFB3
Sequence domains:
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand PHS 1 x PHS
Ligand PO4 1 x PO4
Ligand F6P 1 x F6P
Ligand BKE 1 x BKE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P6522
Unit cell:
a: 102.97Å b: 102.97Å c: 256.53Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.199 0.199 0.21
Expression system: Escherichia coli BL21

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