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Magnesium in PDB 1hj6: Isocitrate Dehydrogenase S113E Mutant Complexed with Isopropylmalate, Nadp+ and Magnesium (Flash-Cooled)

Enzymatic activity of Isocitrate Dehydrogenase S113E Mutant Complexed with Isopropylmalate, Nadp+ and Magnesium (Flash-Cooled)

All present enzymatic activity of Isocitrate Dehydrogenase S113E Mutant Complexed with Isopropylmalate, Nadp+ and Magnesium (Flash-Cooled):
1.1.1.42;

Protein crystallography data

The structure of Isocitrate Dehydrogenase S113E Mutant Complexed with Isopropylmalate, Nadp+ and Magnesium (Flash-Cooled), PDB code: 1hj6 was solved by S.A.Doyle, P.T.Beernink, D.E.Koshland Junior, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 6.0 / 2.0
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 102.300, 102.300, 150.500, 90.00, 90.00, 90.00
R / Rfree (%) 20.6 / 24.6

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Isocitrate Dehydrogenase S113E Mutant Complexed with Isopropylmalate, Nadp+ and Magnesium (Flash-Cooled) (pdb code 1hj6). 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 Isocitrate Dehydrogenase S113E Mutant Complexed with Isopropylmalate, Nadp+ and Magnesium (Flash-Cooled), PDB code: 1hj6:

Magnesium binding site 1 out of 1 in 1hj6

Go back to Magnesium Binding Sites List in 1hj6
Magnesium binding site 1 out of 1 in the Isocitrate Dehydrogenase S113E Mutant Complexed with Isopropylmalate, Nadp+ and Magnesium (Flash-Cooled)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Isocitrate Dehydrogenase S113E Mutant Complexed with Isopropylmalate, Nadp+ and Magnesium (Flash-Cooled) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1421

b:26.9
occ:1.00
 OD1 A:ASP307 2.2 31.8 1.0
O A:HOH2201 2.2 21.8 1.0
O A:HOH2187 2.2 25.4 1.0
O3 A:IPM1419 2.3 30.3 1.0
O1 A:IPM1419 2.4 29.6 1.0
C1 A:IPM1419 3.1 34.1 1.0
C2 A:IPM1419 3.2 33.1 1.0
CG A:ASP307 3.3 33.7 1.0
OD1 A:ASP311 3.7 41.5 1.0
OD2 A:ASP307 3.8 31.5 1.0
O A:ASP307 4.1 21.0 1.0
NH1 A:ARG129 4.2 27.3 1.0
O A:HOH2188 4.2 34.6 1.0
O A:HOH2226 4.3 36.0 1.0
O2 A:IPM1419 4.4 37.8 1.0
CG A:ASP311 4.4 34.5 1.0
O4 A:IPM1419 4.4 33.9 1.0
C4 A:IPM1419 4.5 30.0 1.0
C3 A:IPM1419 4.5 28.9 1.0
CB A:ASP307 4.5 26.0 1.0
O A:THR338 4.5 33.7 1.0
CG2 A:THR338 4.6 34.9 1.0
OD2 A:ASP311 4.6 38.6 1.0
CA A:ASP307 4.7 19.9 1.0
C A:ASP307 4.7 19.5 1.0
O5 A:IPM1419 4.8 32.8 1.0
O A:HOH2229 4.8 41.5 1.0
C5N A:NAP1420 4.8 38.1 1.0

Reference:

S.A.Doyle, P.T.Beernink, D.E.Koshland Junior. Structural Basis For A Change in Substrate Specificity: Crystal Structure of S113E Isocitrate Dehydrogenase in A Complex with Isopropylmalate, MG2+ and Nadp Biochemistry V. 40 4234 2001.
ISSN: ISSN 0006-2960
PubMed: 11284679
DOI: 10.1021/BI002533Q
Page generated: Sat Aug 9 21:29:24 2025

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