› 4d4l

X-ray diffraction
3.16Å resolution

human PFKFB3 in complex with a pyrrolopyrimidone compound

Released:
DOI: 10.2210/pdb4d4l/pdb
PDB 4d4l coloured by chain and viewed from the front.
PDB 4d4l coloured by chain and viewed from the side.
PDB 4d4l coloured by chain and viewed from the top.
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: 
Beta-D-fructose 2,6-bisphosphate + H(2)O = D-fructose 6-phosphate + phosphate
ATP + D-fructose 6-phosphate = ADP + beta-D-fructose 2,6-bisphosphate
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (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 BKS 1 x BKS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P6522
Unit cell:
a: 102.28Å b: 102.28Å c: 256.89Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.208 0.207 0.219
Expression system: Escherichia coli BL21

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