› 6an6

X-ray diffraction
2.3Å resolution

Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-72

Released:
DOI: 10.2210/pdb6an6/pdb
PDB entry 6an6 coloured by chain, front view.
PDB entry 6an6 coloured by chain, side view.
PDB entry 6an6 coloured by chain, top view.
Source organism: Escherichia coli K-12
Entry authors: Shaw GX, Shi G, Ji X

Function and Biology Details

Reaction catalysed: 
ATP + 6-hydroxymethyl-7,8-dihydropterin = AMP + 6-hydroxymethyl-7,8-dihydropterin diphosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-150686 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 158 amino acids
Theoretical weight: 17.97 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P26281 (Residues: 2-159; Coverage: 99%)
Gene names: JW0138, b0142, folK
Sequence domains: 7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase (HPPK)
Structure domains: 7,8-Dihydro-6-hydroxymethylpterin-pyrophosphokinase HPPK

Ligands and Environments

1 bound ligand:
Ligand J1I 2 x J1I
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P21
Unit cell:
a: 36.67Å b: 52.924Å c: 77.43Å
α: 90° β: 103.42° γ: 90°
R-values:
R R work R free
0.218 0.216 0.257
Expression system: Escherichia coli BL21(DE3)

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