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Calcium in PDB 4ajc: 3D Structure of E. Coli Isocitrate Dehydrogenase K100M Mutant in Complex with Alpha-Ketoglutarate, Calcium(II) and Adenine Nucleotide Phosphate

Enzymatic activity of 3D Structure of E. Coli Isocitrate Dehydrogenase K100M Mutant in Complex with Alpha-Ketoglutarate, Calcium(II) and Adenine Nucleotide Phosphate

All present enzymatic activity of 3D Structure of E. Coli Isocitrate Dehydrogenase K100M Mutant in Complex with Alpha-Ketoglutarate, Calcium(II) and Adenine Nucleotide Phosphate:
1.1.1.42;

Protein crystallography data

The structure of 3D Structure of E. Coli Isocitrate Dehydrogenase K100M Mutant in Complex with Alpha-Ketoglutarate, Calcium(II) and Adenine Nucleotide Phosphate, PDB code: 4ajc was solved by S.Goncalves, S.P.Miller, M.A.Carrondo, A.M.Dean, P.M.Matias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.30 / 2.30
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 103.715, 103.715, 149.577, 90.00, 90.00, 90.00
R / Rfree (%) 17.5 / 20.9

Calcium Binding Sites:

The binding sites of Calcium atom in the 3D Structure of E. Coli Isocitrate Dehydrogenase K100M Mutant in Complex with Alpha-Ketoglutarate, Calcium(II) and Adenine Nucleotide Phosphate (pdb code 4ajc). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the 3D Structure of E. Coli Isocitrate Dehydrogenase K100M Mutant in Complex with Alpha-Ketoglutarate, Calcium(II) and Adenine Nucleotide Phosphate, PDB code: 4ajc:

Calcium binding site 1 out of 1 in 4ajc

Go back to Calcium Binding Sites List in 4ajc
Calcium binding site 1 out of 1 in the 3D Structure of E. Coli Isocitrate Dehydrogenase K100M Mutant in Complex with Alpha-Ketoglutarate, Calcium(II) and Adenine Nucleotide Phosphate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 3D Structure of E. Coli Isocitrate Dehydrogenase K100M Mutant in Complex with Alpha-Ketoglutarate, Calcium(II) and Adenine Nucleotide Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca503

b:53.1
occ:0.82
 OD1 A:ASP307 2.6 22.8 1.0
O5 A:AKG502 2.8 49.0 0.9
O A:HOH2429 2.9 53.8 1.0
OD2 A:ASP311 3.0 30.7 1.0
O A:HOH2169 3.0 31.4 1.0
O A:HOH2350 3.0 42.5 1.0
O A:HOH2168 3.3 37.9 1.0
C2 A:AKG502 3.4 35.5 0.9
O2 A:AKG502 3.6 33.1 0.9
OD1 A:ASP311 3.6 32.6 1.0
CG A:ASP311 3.6 27.5 1.0
CG A:ASP307 3.7 24.3 1.0
C1 A:AKG502 3.8 35.5 0.9
OD2 A:ASP307 4.1 25.0 1.0
O A:HOH2352 4.2 39.7 1.0
C3 A:AKG502 4.5 37.5 0.9
O A:ASP307 4.7 18.2 1.0
O A:HOH2364 4.7 45.6 1.0
O1 A:AKG502 4.9 37.8 0.9
CB A:ASP311 5.0 19.2 1.0

Reference:

S.Goncalves, S.P.Miller, M.A.Carrondo, A.M.Dean, P.M.Matias. Induced Fit and the Catalytic Mechanism of Isocitrate Dehydrogenase. Biochemistry V. 51 7098 2012.
ISSN: ISSN 0006-2960
PubMed: 22891681
DOI: 10.1021/BI300483W
Page generated: Sat Jul 13 22:05:06 2024

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