Sodium in PDB 4mpp: Crystal Structure of Benzoylformate Decarboxylase Mutant H281Y/T377P/F397T/A460I

All present enzymatic activity of Crystal Structure of Benzoylformate Decarboxylase Mutant H281Y/T377P/F397T/A460I:
4.1.1.7;

The structure of Crystal Structure of Benzoylformate Decarboxylase Mutant H281Y/T377P/F397T/A460I, PDB code: 4mpp was solved by F.H.Andrews, M.J.Mcleish, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.45 / 1.50
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	81.356, 95.704, 137.163, 90.00, 90.00, 90.00
R / Rfree (%)	13.3 / 15.9

The structure of Crystal Structure of Benzoylformate Decarboxylase Mutant H281Y/T377P/F397T/A460I also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Chlorine	(Cl)	1 atom

The binding sites of Sodium atom in the Crystal Structure of Benzoylformate Decarboxylase Mutant H281Y/T377P/F397T/A460I (pdb code 4mpp). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Benzoylformate Decarboxylase Mutant H281Y/T377P/F397T/A460I, PDB code: 4mpp:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Benzoylformate Decarboxylase Mutant H281Y/T377P/F397T/A460I


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 Benzoylformate Decarboxylase Mutant H281Y/T377P/F397T/A460I within 5.0Å range: probe atom residue distance (Å) B Occ A:Na603 b:16.7 occ:1.00 O A:HOH988 2.4 31.8 1.0 OD2 A:ASP347 2.4 33.4 1.0 O A:HOH937 2.4 23.9 1.0 O A:HOH915 2.5 25.7 1.0 O A:HOH847 2.5 22.0 1.0 O A:HOH1005 2.5 32.0 1.0 OD1 A:ASP347 2.7 30.2 1.0 CG A:ASP347 2.9 27.7 1.0 CB A:ASP347 4.3 18.6 1.0 O A:HOH1109 4.5 35.5 1.0 O A:HOH1216 4.6 45.9 1.0 O A:HOH1201 4.8 38.3 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Benzoylformate Decarboxylase Mutant H281Y/T377P/F397T/A460I


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 Benzoylformate Decarboxylase Mutant H281Y/T377P/F397T/A460I within 5.0Å range: probe atom residue distance (Å) B Occ A:Na604 b:9.0 occ:0.50 O A:LEU118 2.5 9.6 1.0 O A:ARG120 2.5 10.8 1.0 O A:ASN117 2.7 10.2 1.0 C A:LEU118 3.3 10.0 1.0 O A:HOH743 3.3 13.0 0.5 C A:ARG120 3.6 10.5 1.0 CA A:LEU118 3.8 9.7 1.0 C A:ASN117 3.8 10.8 1.0 N A:ARG120 3.8 9.5 1.0 CA A:ARG120 4.2 10.2 1.0 N A:PRO119 4.2 9.0 1.0 C A:PRO119 4.3 10.5 1.0 N A:LEU118 4.3 8.5 1.0 CE A:MET79 4.3 12.3 0.5 CB A:ARG120 4.5 10.7 1.0 CA A:PRO119 4.6 9.9 1.0 N A:PRO121 4.7 9.8 1.0 CD A:PRO121 4.9 10.6 1.0 O A:PRO119 5.0 11.7 1.0

F.H.Andrews, M.G.Logsdon, H.R.Brodkin, A.M.Malik, J.D.Horton, D.Ringe, G.D.Petsko, M.J.Mcleish. A Pseudo Study of Thiamin Diphosphate-Dependent Decarboxylases To Be Published.