Calcium in PDB 3wnk: Crystal Structure of Bacillus Circulans T-3040 Cycloisomaltooligosaccharide Glucanotransferase

All present enzymatic activity of Crystal Structure of Bacillus Circulans T-3040 Cycloisomaltooligosaccharide Glucanotransferase:
2.4.1.248;

The structure of Crystal Structure of Bacillus Circulans T-3040 Cycloisomaltooligosaccharide Glucanotransferase, PDB code: 3wnk was solved by N.Suzuki, Z.Fujimoto, Y.M.Kim, M.Momma, N.Kishine, R.Suzuki, M.Kobayashi, A.Kimura, K.Funane, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.34 / 2.30
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	106.437, 106.437, 160.625, 90.00, 90.00, 120.00
R / Rfree (%)	15.8 / 19.2

The structure of Crystal Structure of Bacillus Circulans T-3040 Cycloisomaltooligosaccharide Glucanotransferase also contains other interesting chemical elements:

Cadmium	(Cd)	10 atoms
Sodium	(Na)	2 atoms

The binding sites of Calcium atom in the Crystal Structure of Bacillus Circulans T-3040 Cycloisomaltooligosaccharide Glucanotransferase (pdb code 3wnk). 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 Bacillus Circulans T-3040 Cycloisomaltooligosaccharide Glucanotransferase, PDB code: 3wnk:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Bacillus Circulans T-3040 Cycloisomaltooligosaccharide Glucanotransferase


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 Bacillus Circulans T-3040 Cycloisomaltooligosaccharide Glucanotransferase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca811 b:53.8 occ:1.00 O A:HOH1436 1.9 46.3 1.0 O A:HOH1355 2.0 49.3 1.0 O A:HOH1435 2.2 49.4 1.0 OD2 A:ASP265 2.7 49.7 1.0 OD1 A:ASP265 2.9 48.4 1.0 CG A:ASP265 3.1 45.8 1.0 OE2 A:GLU256 4.2 61.2 1.0 O A:GLN263 4.5 41.2 1.0 CB A:ASP265 4.5 44.4 1.0 OE1 A:GLU256 4.8 69.3 1.0 CD A:GLU256 4.8 59.7 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Bacillus Circulans T-3040 Cycloisomaltooligosaccharide Glucanotransferase


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 Bacillus Circulans T-3040 Cycloisomaltooligosaccharide Glucanotransferase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca812 b:58.8 occ:1.00 O A:HOH1231 2.2 46.0 1.0 O A:ASN432 2.4 42.5 1.0 OD2 A:ASP456 2.5 56.5 1.0 O A:GLN450 2.6 48.5 1.0 O A:HOH1319 2.7 43.5 1.0 CG A:ASP456 3.0 53.5 1.0 OD1 A:ASP456 3.0 55.1 1.0 OG A:SER453 3.4 52.8 1.0 C A:GLN450 3.6 49.1 1.0 C A:ASN432 3.7 44.0 1.0 N A:ALA452 4.2 45.6 1.0 CB A:GLN450 4.3 51.9 1.0 CA A:VAL433 4.3 41.6 1.0 CB A:ASP456 4.4 48.8 1.0 CG1 A:VAL433 4.4 37.7 1.0 N A:SER453 4.4 49.5 1.0 N A:PHE451 4.4 47.0 1.0 O A:HOH1529 4.4 44.5 1.0 N A:VAL433 4.4 40.6 1.0 CA A:GLN450 4.5 48.9 1.0 CA A:PHE451 4.6 46.4 1.0 CB A:ASN432 4.6 48.4 1.0 CB A:SER453 4.6 52.8 1.0 O A:HOH1390 4.7 57.2 1.0 CA A:ASN432 4.7 44.1 1.0 CB A:VAL433 4.9 38.1 1.0 C A:PHE451 5.0 46.7 1.0

N.Suzuki, Z.Fujimoto, Y.M.Kim, M.Momma, N.Kishine, R.Suzuki, S.Suzuki, S.Kitamura, M.Kobayashi, A.Kimura, K.Funane. Structural Elucidation of Cyclization Mechanism of Alpha-1,6-Glucan By Bacillus Circulans T-3040 Cycloisomaltooligosaccharide Glucanotransferase To Be Published.