Manganese in PDB 1khe: Pepck Complex with Nonhydrolyzable Gtp Analog, Mad Data

All present enzymatic activity of Pepck Complex with Nonhydrolyzable Gtp Analog, Mad Data:
4.1.1.32;

The structure of Pepck Complex with Nonhydrolyzable Gtp Analog, Mad Data, PDB code: 1khe was solved by P.Dunten, C.Belunis, R.Crowther, K.Hollfelder, U.Kammlott, W.Levin, H.Michel, G.B.Ramsey, A.Swain, D.Weber, S.J.Wertheimer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.40
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	45.386, 60.540, 61.833, 88.36, 70.39, 72.37
R / Rfree (%)	17 / 24.6

The binding sites of Manganese atom in the Pepck Complex with Nonhydrolyzable Gtp Analog, Mad Data (pdb code 1khe). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Pepck Complex with Nonhydrolyzable Gtp Analog, Mad Data, PDB code: 1khe:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Pepck Complex with Nonhydrolyzable Gtp Analog, Mad Data


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Pepck Complex with Nonhydrolyzable Gtp Analog, Mad Data within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn701 b:6.5 occ:1.00 O A:HOH802 2.0 3.7 1.0 OG1 A:THR291 2.1 2.6 1.0 O2B A:GCP703 2.1 3.7 1.0 O A:HOH803 2.1 9.2 1.0 O A:HOH785 2.2 6.9 1.0 O3G A:GCP703 2.2 5.2 1.0 PB A:GCP703 3.2 9.3 1.0 PG A:GCP703 3.2 8.4 1.0 CB A:THR291 3.2 5.6 1.0 C3B A:GCP703 3.5 2.6 1.0 O1G A:GCP703 3.7 5.4 1.0 OD2 A:ASP310 3.7 4.8 1.0 N A:THR291 4.0 4.8 1.0 O1A A:GCP703 4.2 23.1 1.0 CG2 A:THR291 4.2 8.6 1.0 NH1 A:ARG405 4.2 2.6 1.0 CA A:THR291 4.2 5.3 1.0 O1B A:GCP703 4.2 10.2 1.0 O3A A:GCP703 4.3 17.5 1.0 O2G A:GCP703 4.4 11.3 1.0 O A:ASP310 4.4 4.0 1.0 O A:HOH733 4.5 7.6 1.0 CG A:ASP310 4.5 5.1 1.0 OD1 A:ASP311 4.6 3.6 1.0 O A:PHE333 4.6 4.2 1.0 CA A:GLY334 4.7 2.6 1.0 N A:VAL335 4.8 5.9 1.0 O A:HOH787 4.8 4.3 1.0 PA A:GCP703 4.8 21.7 1.0 CB A:LYS290 4.8 5.2 1.0 NZ A:LYS290 4.9 4.3 1.0

Manganese binding site 2 out of 2 in the Pepck Complex with Nonhydrolyzable Gtp Analog, Mad Data


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Pepck Complex with Nonhydrolyzable Gtp Analog, Mad Data within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn702 b:6.8 occ:1.00 O A:HOH733 2.1 7.6 1.0 O1G A:GCP703 2.1 5.4 1.0 OD1 A:ASP311 2.2 3.6 1.0 O A:HOH797 2.3 5.1 1.0 NE2 A:HIS264 2.3 4.3 1.0 NZ A:LYS244 2.3 6.0 1.0 CG A:ASP311 3.1 3.6 1.0 OD2 A:ASP311 3.2 3.6 1.0 CD2 A:HIS264 3.2 2.6 1.0 CE1 A:HIS264 3.3 2.6 1.0 CE A:LYS244 3.4 5.5 1.0 PG A:GCP703 3.4 8.4 1.0 O2G A:GCP703 3.4 11.3 1.0 NZ A:LYS290 3.9 4.3 1.0 O3G A:GCP703 3.9 5.2 1.0 CE A:LYS290 4.0 4.9 1.0 O A:HOH785 4.2 6.9 1.0 CG A:HIS264 4.4 5.2 1.0 ND1 A:HIS264 4.4 6.9 1.0 CB A:ASP311 4.5 3.0 1.0 CD A:LYS244 4.7 3.5 1.0 C3B A:GCP703 5.0 2.6 1.0

P.Dunten, C.Belunis, R.Crowther, K.Hollfelder, U.Kammlott, W.Levin, H.Michel, G.B.Ramsey, A.Swain, D.Weber, S.J.Wertheimer. Crystal Structure of Human Cytosolic Phosphoenolpyruvate Carboxykinase Reveals A New Gtp-Binding Site. J.Mol.Biol. V. 316 257 2002.
ISSN: ISSN 0022-2836
PubMed: 11851336
DOI: 10.1006/JMBI.2001.5364