Calcium in PDB 5ecu: The Unliganded Structure of Caldicellulosiruptor Saccharolyticus GH5

All present enzymatic activity of The Unliganded Structure of Caldicellulosiruptor Saccharolyticus GH5:
3.2.1.4;

The structure of The Unliganded Structure of Caldicellulosiruptor Saccharolyticus GH5, PDB code: 5ecu was solved by P.M.Alahuhta, V.V.Lunin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.96 / 1.50
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	146.660, 146.660, 146.660, 90.00, 90.00, 90.00
R / Rfree (%)	8.5 / 11.5

The binding sites of Calcium atom in the The Unliganded Structure of Caldicellulosiruptor Saccharolyticus GH5 (pdb code 5ecu). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The Unliganded Structure of Caldicellulosiruptor Saccharolyticus GH5, PDB code: 5ecu:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The Unliganded Structure of Caldicellulosiruptor Saccharolyticus GH5


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Unliganded Structure of Caldicellulosiruptor Saccharolyticus GH5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca643 b:18.0 occ:0.40 O2 A:EDO614 2.2 24.2 0.7 O A:HOH786 2.3 19.6 1.0 OE2 A:GLU285 2.3 16.1 1.0 OE2 A:GLU188 2.3 14.3 1.0 O A:HOH1002 2.5 18.1 0.3 O2 A:EDO614 2.6 29.2 0.3 O A:HOH768 2.6 25.4 0.7 C2 A:EDO614 3.0 34.6 0.3 CD A:GLU188 3.0 14.6 1.0 O A:HOH1002 3.0 21.8 0.7 OE1 A:GLU188 3.1 17.0 1.0 C1 A:EDO614 3.2 37.4 0.3 C2 A:EDO614 3.4 21.2 0.7 CD A:GLU285 3.4 13.1 1.0 OE1 A:GLU285 3.8 12.9 1.0 CE1 A:TYR257 3.8 15.6 1.0 OH A:TYR257 3.9 18.3 1.0 CZ A:TYR257 4.2 14.6 1.0 O A:HOH738 4.2 21.1 0.7 C1 A:EDO614 4.3 20.6 0.7 CG A:GLU188 4.3 11.6 1.0 ND1 A:HIS255 4.5 12.8 1.0 O1 A:EDO614 4.5 37.2 0.3 O1 A:EDO614 4.7 27.1 0.7 CG A:GLU285 4.7 11.9 1.0 O A:HOH739 4.7 41.5 0.9 ND2 A:ASN187 4.9 11.9 1.0 CD1 A:TYR257 4.9 14.3 1.0

Calcium binding site 2 out of 2 in the The Unliganded Structure of Caldicellulosiruptor Saccharolyticus GH5


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Unliganded Structure of Caldicellulosiruptor Saccharolyticus GH5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca644 b:24.6 occ:0.38 O A:HOH760 2.3 40.2 1.0 O A:HOH1047 2.3 39.7 1.0 O A:HOH925 2.3 25.9 1.0 O A:ILE92 2.4 16.0 1.0 O A:HOH904 2.6 24.1 1.0 C A:ILE92 3.5 11.5 1.0 CB A:ASN93 4.0 13.2 1.0 O A:HOH1068 4.0 29.2 0.4 NZ A:LYS129 4.0 31.7 1.0 O A:HOH843 4.1 39.0 1.0 OE1 A:GLU132 4.2 27.0 0.6 CA A:ASN93 4.3 12.7 1.0 N A:ASN93 4.3 11.7 1.0 O A:GLN90 4.5 13.7 1.0 O A:HOH1064 4.5 34.0 1.0 CA A:ILE92 4.6 12.9 1.0 O A:PRO89 4.7 14.6 1.0 CB A:ILE92 4.8 13.3 1.0 N A:ILE92 4.9 12.1 1.0 OD1 A:ASP345 5.0 26.0 1.0 OE2 A:GLU132 5.0 19.9 0.6 CD A:GLU132 5.0 18.2 0.6

P.M.Alahuhta, V.V.Lunin. The Structure of Caldicellulosiruptor Saccharolyticus GH5 To Be Published.