Calcium 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:

Chlorine	(Cl)	1 atom
Sodium	(Na)	2 atoms

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Benzoylformate Decarboxylase Mutant H281Y/T377P/F397T/A460I, PDB code: 4mpp:
Jump to Calcium binding site number: 1; 2;

Calcium 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 Calcium with other atoms in the Ca 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:Ca601 b:13.7 occ:1.00 OD1 A:ASN455 2.2 14.9 1.0 O A:THR457 2.2 13.8 1.0 O13 A:TZD605 2.3 12.0 1.0 OD1 A:ASP428 2.3 14.0 1.0 O A:HOH707 2.3 14.4 1.0 O21 A:TZD605 2.3 12.5 1.0 CG A:ASN455 3.2 19.0 1.0 CG A:ASP428 3.4 15.1 1.0 P1 A:TZD605 3.4 11.8 1.0 C A:THR457 3.5 13.1 1.0 P2 A:TZD605 3.5 12.0 1.0 ND2 A:ASN455 3.6 21.2 1.0 O11 A:TZD605 3.6 10.9 1.0 N A:THR457 4.0 14.0 1.0 OD2 A:ASP428 4.0 17.7 1.0 N A:ASP428 4.1 9.8 1.0 N A:GLY459 4.1 13.9 1.0 O5G A:TZD605 4.2 12.9 1.0 N A:GLY429 4.3 11.0 1.0 O A:MET453 4.3 12.9 1.0 CA A:THR457 4.3 15.9 1.0 N A:ASN455 4.4 13.5 1.0 O23 A:TZD605 4.4 12.6 1.0 N A:TYR458 4.4 12.6 1.0 O A:HOH749 4.5 12.4 1.0 CB A:ASN455 4.5 17.8 1.0 CA A:TYR458 4.6 12.6 1.0 O12 A:TZD605 4.6 12.9 1.0 O22 A:TZD605 4.6 13.5 1.0 CB A:ASP428 4.6 11.1 1.0 N A:GLY456 4.7 13.4 1.0 CG2 A:THR457 4.7 16.9 1.0 CA A:ASP428 4.7 11.1 1.0 CA A:ASN455 4.7 13.7 1.0 CA A:GLY427 4.8 10.0 1.0 C A:ASN455 4.8 16.3 1.0 C A:GLY427 4.8 10.2 1.0 C A:TYR458 4.9 13.8 1.0 CA A:GLY459 4.9 17.3 1.0

Calcium 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 Calcium with other atoms in the Ca 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:Ca602 b:17.2 occ:1.00 O A:HOH771 2.4 15.0 1.0 OD1 A:ASP364 2.4 16.4 1.0 O A:HOH1060 2.5 31.9 1.0 O A:HOH911 2.5 27.1 1.0 O A:HOH1117 2.5 27.7 1.0 O A:HOH1181 2.6 39.6 1.0 O A:HOH1036 2.7 30.8 1.0 O A:HOH968 2.7 25.5 1.0 CG A:ASP364 3.5 14.8 1.0 OD2 A:ASP364 3.9 18.4 1.0 O A:ASP360 4.6 12.1 1.0 ND2 A:ASN363 4.7 14.6 1.0 CB A:ASP364 4.8 15.3 1.0 O A:HOH746 4.8 14.2 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.