Sodium in PDB 5uqr: Crystal Structure of 2-Methylcitrate Synthase From Aspergillus Fumigatus

All present enzymatic activity of Crystal Structure of 2-Methylcitrate Synthase From Aspergillus Fumigatus:
2.3.3.16; 2.3.3.5;

The structure of Crystal Structure of 2-Methylcitrate Synthase From Aspergillus Fumigatus, PDB code: 5uqr was solved by C.Schlachter, M.Chruszcz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.11 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.724, 94.110, 124.404, 90.00, 90.00, 90.00
R / Rfree (%)	14.2 / 17.5

The binding sites of Sodium atom in the Crystal Structure of 2-Methylcitrate Synthase From Aspergillus Fumigatus (pdb code 5uqr). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the Crystal Structure of 2-Methylcitrate Synthase From Aspergillus Fumigatus, PDB code: 5uqr:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in the Crystal Structure of 2-Methylcitrate Synthase From Aspergillus Fumigatus


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of 2-Methylcitrate Synthase From Aspergillus Fumigatus within 5.0Å range: probe atom residue distance (Å) B Occ A:Na502 b:35.4 occ:1.00 O A:HOH1234 2.5 45.4 1.0 O A:HOH690 2.7 27.9 1.0 O A:HOH954 2.8 30.1 1.0 O A:HOH821 4.1 15.3 1.0 O A:HOH958 4.2 26.2 1.0 OD1 A:ASP154 4.4 15.3 1.0 O A:HOH1154 4.5 25.4 1.0 O A:HOH688 4.8 23.4 1.0 CG A:ASP154 4.9 14.8 1.0

Sodium binding site 2 out of 3 in the Crystal Structure of 2-Methylcitrate Synthase From Aspergillus Fumigatus


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of 2-Methylcitrate Synthase From Aspergillus Fumigatus within 5.0Å range: probe atom residue distance (Å) B Occ B:Na502 b:32.7 occ:1.00 O B:HOH1045 2.3 33.6 1.0 O B:HOH736 2.5 23.3 1.0 O B:HOH995 2.5 36.4 1.0 O B:GLY398 2.6 20.3 1.0 C B:GLY398 3.5 19.0 1.0 NA B:NA503 3.5 33.4 1.0 O B:HOH1080 3.9 26.2 1.0 O B:HOH1039 4.0 34.8 1.0 CA B:GLY398 4.1 17.5 1.0 N B:LYS399 4.5 20.4 1.0 O B:THR400 4.6 21.6 1.0 O B:HOH1046 4.7 43.6 1.0 NZ B:LYS401 4.8 34.1 1.0 CA B:LYS399 4.8 23.6 1.0 C B:LYS399 4.9 23.7 1.0 O B:LYS399 4.9 25.1 1.0

Sodium binding site 3 out of 3 in the Crystal Structure of 2-Methylcitrate Synthase From Aspergillus Fumigatus


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Crystal Structure of 2-Methylcitrate Synthase From Aspergillus Fumigatus within 5.0Å range: probe atom residue distance (Å) B Occ B:Na503 b:33.4 occ:1.00 O B:HOH1047 2.4 40.7 1.0 O B:HOH1045 2.4 33.6 1.0 O B:HOH1080 2.5 26.2 1.0 O B:GLY398 2.6 20.3 1.0 O B:HOH828 2.6 28.0 1.0 NA B:NA502 3.5 32.7 1.0 C B:GLY398 3.6 19.0 1.0 CA B:GLY398 4.0 17.5 1.0 N B:LYS399 4.6 20.4 1.0 O B:HOH872 4.7 20.8 1.0 CD B:LYS399 4.8 36.4 1.0 O B:HIS397 4.9 15.9 1.0 CA B:LYS399 5.0 23.6 1.0

C.Schlachter, M.Chruszcz. Structural and Functional Characterization of 2-Methylcitrate Synthase (Mcsa) From Aspergillus Fumigatus and Citrate Synthase (Hcs) From Homo Sapiens. To Be Published.