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Magnesium in PDB 1ex8: Crystal Structure of 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with HP4A, the Two-Substrate- Mimicking Inhibitor

Enzymatic activity of Crystal Structure of 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with HP4A, the Two-Substrate- Mimicking Inhibitor

All present enzymatic activity of Crystal Structure of 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with HP4A, the Two-Substrate- Mimicking Inhibitor:
2.7.6.3;

Protein crystallography data

The structure of Crystal Structure of 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with HP4A, the Two-Substrate- Mimicking Inhibitor, PDB code: 1ex8 was solved by J.Blaszczyk, X.Ji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 1.85
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 38.053, 61.857, 67.106, 90.00, 90.00, 90.00
R / Rfree (%) 21.1 / 24.2

Other elements in 1ex8:

The structure of Crystal Structure of 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with HP4A, the Two-Substrate- Mimicking Inhibitor also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with HP4A, the Two-Substrate- Mimicking Inhibitor (pdb code 1ex8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with HP4A, the Two-Substrate- Mimicking Inhibitor, PDB code: 1ex8:

Magnesium binding site 1 out of 1 in 1ex8

Go back to Magnesium Binding Sites List in 1ex8
Magnesium binding site 1 out of 1 in the Crystal Structure of 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with HP4A, the Two-Substrate- Mimicking Inhibitor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with HP4A, the Two-Substrate- Mimicking Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg161

b:18.5
occ:1.00
 O A:HOH201 1.8 14.1 1.0
O1A A:A4P171 1.8 20.7 1.0
O A:HOH202 2.0 19.5 1.0
O2D A:A4P171 2.0 38.5 1.0
O2B A:A4P171 2.1 8.6 1.0
O1G A:A4P171 2.2 13.8 1.0
PA A:A4P171 3.2 20.9 1.0
PB A:A4P171 3.3 17.2 1.0
PD A:A4P171 3.3 25.1 1.0
PG A:A4P171 3.4 11.2 1.0
O A:HOH311 3.4 22.7 1.0
O3A A:A4P171 3.7 18.6 1.0
OD1 A:ASP97 3.7 9.9 1.0
O3G A:A4P171 3.8 13.3 1.0
O3B A:A4P171 3.8 11.5 1.0
NH2 A:ARG82 3.8 16.7 1.0
O3D A:A4P171 3.8 29.3 1.0
OD2 A:ASP97 3.8 14.8 1.0
O A:HOH218 3.8 15.8 1.0
O5' A:A4P171 3.9 14.5 1.0
O A:HOH312 4.0 14.7 1.0
CG A:ASP97 4.2 11.2 1.0
O2A A:A4P171 4.3 15.8 1.0
NH1 A:ARG92 4.4 17.7 1.0
O1D A:A4P171 4.5 23.8 1.0
C6A A:A4P171 4.5 30.7 1.0
OD2 A:ASP95 4.6 39.4 1.0
O1B A:A4P171 4.6 18.4 1.0
OD1 A:ASP95 4.6 34.4 1.0
NE2 A:HIS115 4.7 7.8 1.0
O2G A:A4P171 4.7 15.9 1.0
CG A:ASP95 4.8 26.5 1.0

Reference:

G.Shi, J.Blaszczyk, X.Ji, H.Yan. Bisubstrate Analogue Inhibitors of 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase: Synthesis and Biochemical and Crystallographic Studies. J.Med.Chem. V. 44 1364 2001.
ISSN: ISSN 0022-2623
PubMed: 11311059
DOI: 10.1021/JM0004493
Page generated: Tue Aug 13 03:04:02 2024

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