Manganese in PDB 1cw4: Crystal Structure of K230M Isocitrate Dehydrogenase in Complex with Alpha-Ketoglutarate

All present enzymatic activity of Crystal Structure of K230M Isocitrate Dehydrogenase in Complex with Alpha-Ketoglutarate:
1.1.1.42;

The structure of Crystal Structure of K230M Isocitrate Dehydrogenase in Complex with Alpha-Ketoglutarate, PDB code: 1cw4 was solved by M.R.Stroud, J.Finer-Moore, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	5.00 / 2.10
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	102.800, 102.800, 150.100, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 22.6

The binding sites of Manganese atom in the Crystal Structure of K230M Isocitrate Dehydrogenase in Complex with Alpha-Ketoglutarate (pdb code 1cw4). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Crystal Structure of K230M Isocitrate Dehydrogenase in Complex with Alpha-Ketoglutarate, PDB code: 1cw4:

Manganese binding site 1 out of 1 in the Crystal Structure of K230M Isocitrate Dehydrogenase in Complex with Alpha-Ketoglutarate


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of K230M Isocitrate Dehydrogenase in Complex with Alpha-Ketoglutarate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn418 b:51.2 occ:0.50 O5 A:AKG417 2.4 20.5 0.5 O A:HOH738 2.4 37.8 1.0 O2 A:AKG417 2.5 20.0 0.5 O A:HOH490 2.7 19.7 1.0 OD2 A:ASP307 2.8 17.4 1.0 C1 A:AKG417 3.2 16.8 0.5 OD2 A:ASP311 3.2 17.1 1.0 C2 A:AKG417 3.2 19.2 0.5 OD1 A:ASP311 3.6 18.1 1.0 O A:HOH482 3.7 27.9 1.0 CG A:ASP311 3.8 14.8 1.0 CG A:ASP307 3.9 14.0 1.0 O1 A:AKG417 4.1 17.3 0.5 O A:HOH545 4.2 47.2 1.0 O A:HOH750 4.3 49.8 1.0 OD1 A:ASP307 4.4 16.7 1.0 C3 A:AKG417 4.5 21.6 0.5 NH2 A:ARG129 4.9 21.2 1.0 O A:THR338 5.0 15.8 1.0 O A:ASP307 5.0 11.3 1.0

D.B.Cherbavaz, M.E.Lee, R.M.Stroud, D.E.Koshland Jr.. Active Site Water Molecules Revealed in the 2.1 A Resolution Structure of A Site-Directed Mutant of Isocitrate Dehydrogenase. J.Mol.Biol. V. 295 377 2000.
ISSN: ISSN 0022-2836
PubMed: 10623532
DOI: 10.1006/JMBI.1999.3195