Calcium in PDB 7k1r: X-Ray Structure of An Enterobacter GH43 Beta-Xylosidase: ECXYL43 F507A Mutant

All present enzymatic activity of X-Ray Structure of An Enterobacter GH43 Beta-Xylosidase: ECXYL43 F507A Mutant:
3.2.1.37;

The structure of X-Ray Structure of An Enterobacter GH43 Beta-Xylosidase: ECXYL43 F507A Mutant, PDB code: 7k1r was solved by L.Briganti, C.C.M.Capetti, I.Polikarpov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.72 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	87.123, 153.1, 182.401, 90, 90, 90
R / Rfree (%)	19 / 22.8

The binding sites of Calcium atom in the X-Ray Structure of An Enterobacter GH43 Beta-Xylosidase: ECXYL43 F507A Mutant (pdb code 7k1r). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the X-Ray Structure of An Enterobacter GH43 Beta-Xylosidase: ECXYL43 F507A Mutant, PDB code: 7k1r:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the X-Ray Structure of An Enterobacter GH43 Beta-Xylosidase: ECXYL43 F507A Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Structure of An Enterobacter GH43 Beta-Xylosidase: ECXYL43 F507A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:51.9 occ:1.00 O A:ASP529 2.4 41.9 1.0 O A:GLY363 2.4 42.6 1.0 O A:HOH919 2.5 43.6 1.0 O A:ASP334 2.6 43.0 1.0 OD1 A:ASP529 2.7 44.1 1.0 O A:HOH878 2.7 44.7 1.0 CG A:ASP529 3.3 43.9 1.0 C A:ASP529 3.3 42.2 1.0 C A:GLY363 3.6 42.5 1.0 C A:ASP334 3.6 43.0 1.0 CA A:ASP529 3.7 42.5 1.0 O A:HOH1018 3.8 44.4 1.0 OD2 A:ASP529 3.8 44.4 1.0 O A:HOH1057 4.0 47.9 1.0 CB A:ASP529 4.1 43.4 1.0 CA A:ASP334 4.1 43.0 1.0 CA A:GLY363 4.2 42.4 1.0 CB A:ASP334 4.3 43.1 1.0 N A:TYR530 4.4 40.6 1.0 OD1 A:ASP336 4.4 46.6 1.0 N A:TYR364 4.6 41.6 1.0 OD1 A:ASP334 4.7 43.2 1.0 N A:PHE335 4.7 41.9 1.0 CB A:PHE335 4.8 42.0 1.0 CA A:TYR530 4.8 40.2 1.0 CB A:TYR530 4.8 40.8 1.0 CA A:TYR364 4.8 41.7 1.0 CG A:ASP336 5.0 46.3 1.0

Calcium binding site 2 out of 4 in the X-Ray Structure of An Enterobacter GH43 Beta-Xylosidase: ECXYL43 F507A Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Ray Structure of An Enterobacter GH43 Beta-Xylosidase: ECXYL43 F507A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca602 b:60.2 occ:1.00 O B:ASP529 2.4 47.3 1.0 O B:GLY363 2.5 45.0 1.0 O B:ASP334 2.5 47.1 1.0 OD1 B:ASP529 2.7 47.9 1.0 O B:HOH968 2.9 44.5 1.0 C B:ASP529 3.5 46.7 1.0 CG B:ASP529 3.5 47.3 1.0 C B:ASP334 3.6 47.0 1.0 C B:GLY363 3.7 45.4 1.0 CA B:ASP529 4.0 46.2 1.0 CA B:ASP334 4.1 46.9 1.0 OD2 B:ASP529 4.1 47.8 1.0 CB B:ASP334 4.1 47.5 1.0 OD1 B:ASP336 4.2 49.1 1.0 CA B:GLY363 4.2 46.8 1.0 CB B:ASP529 4.4 46.1 1.0 N B:TYR530 4.6 44.8 1.0 N B:PHE335 4.7 46.7 1.0 OD1 B:ASP334 4.8 46.5 1.0 N B:TYR364 4.8 46.7 1.0 CB B:PHE335 4.9 46.0 1.0 CA B:TYR530 4.9 45.5 1.0 CB B:TYR530 5.0 46.0 1.0 CG B:ASP334 5.0 47.2 1.0 C B:PHE335 5.0 47.5 1.0

Calcium binding site 3 out of 4 in the X-Ray Structure of An Enterobacter GH43 Beta-Xylosidase: ECXYL43 F507A Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of X-Ray Structure of An Enterobacter GH43 Beta-Xylosidase: ECXYL43 F507A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca601 b:52.4 occ:1.00 O C:ASP529 2.3 40.0 1.0 O C:GLY363 2.5 40.6 1.0 OD1 C:ASP529 2.5 41.0 1.0 O C:HOH817 2.6 44.1 1.0 O C:HOH841 2.7 44.3 1.0 O C:ASP334 2.7 42.9 1.0 CG C:ASP529 3.3 40.9 1.0 C C:ASP529 3.3 40.0 1.0 O C:HOH863 3.7 42.6 1.0 C C:GLY363 3.7 40.6 1.0 CA C:ASP529 3.8 40.2 1.0 C C:ASP334 3.8 42.7 1.0 OD2 C:ASP529 3.9 41.0 1.0 CB C:ASP529 4.1 40.6 1.0 OD1 C:ASP336 4.2 47.1 1.0 O C:HOH996 4.3 48.8 1.0 CA C:ASP334 4.3 42.9 1.0 N C:TYR530 4.4 39.2 1.0 CB C:ASP334 4.4 43.4 1.0 CA C:GLY363 4.4 41.0 1.0 OD1 C:ASP334 4.7 43.6 1.0 N C:TYR364 4.7 39.7 1.0 CB C:TYR530 4.8 39.5 1.0 CA C:TYR530 4.8 39.1 1.0 N C:PHE335 4.9 42.1 1.0 CA C:TYR364 4.9 39.4 1.0 CB C:PHE335 5.0 41.8 1.0

Calcium binding site 4 out of 4 in the X-Ray Structure of An Enterobacter GH43 Beta-Xylosidase: ECXYL43 F507A Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of X-Ray Structure of An Enterobacter GH43 Beta-Xylosidase: ECXYL43 F507A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca602 b:65.4 occ:1.00 O D:ASP529 2.5 53.5 1.0 O D:ASP334 2.6 56.8 1.0 O D:GLY363 2.7 55.5 1.0 OD1 D:ASP529 2.8 58.0 1.0 O D:HOH718 3.0 58.9 1.0 CG D:ASP529 3.2 57.4 1.0 C D:ASP529 3.4 53.0 1.0 OD2 D:ASP529 3.5 58.3 1.0 C D:ASP334 3.6 55.8 1.0 C D:GLY363 3.9 56.7 1.0 CA D:ASP529 3.9 53.5 1.0 CA D:ASP334 4.0 55.0 1.0 CB D:ASP334 4.0 56.8 1.0 CB D:ASP529 4.2 55.4 1.0 OD1 D:ASP334 4.4 55.6 1.0 CA D:GLY363 4.4 59.1 1.0 N D:TYR530 4.4 52.0 1.0 OD1 D:ASP336 4.6 61.8 1.0 CG D:ASP334 4.7 56.1 1.0 N D:PHE335 4.8 54.4 1.0 CB D:TYR530 4.8 53.6 1.0 CA D:TYR530 4.8 51.7 1.0 N D:TYR364 5.0 56.1 1.0

L.Briganti, C.C.M.Capetti, I.Polikarpov. X-Ray Structure of An Enterobacter GH43 Beta-Xylosidase: ECXYL43 F507A Mutant To Be Published.