Calcium in PDB 1h6y: The Role of Conserved Amino Acids in the Cleft of the C-Terminal Family 22 Carbohydrate Binding Module of Clostridium Thermocellum XYN10B in Ligand Binding

The structure of The Role of Conserved Amino Acids in the Cleft of the C-Terminal Family 22 Carbohydrate Binding Module of Clostridium Thermocellum XYN10B in Ligand Binding, PDB code: 1h6y was solved by H.Xie, D.N.Bolam, S.J.Charnock, G.J.Davies, M.P.Williamson, P.J.Simpson, C.M.G.A.Fontes, L.M.A.Ferreira, H.J.Gilbert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25 / 2.12
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.869, 89.869, 209.003, 90.00, 90.00, 120.00
R / Rfree (%)	19.4 / 22.8

The binding sites of Calcium atom in the The Role of Conserved Amino Acids in the Cleft of the C-Terminal Family 22 Carbohydrate Binding Module of Clostridium Thermocellum XYN10B in Ligand Binding (pdb code 1h6y). 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 Role of Conserved Amino Acids in the Cleft of the C-Terminal Family 22 Carbohydrate Binding Module of Clostridium Thermocellum XYN10B in Ligand Binding, PDB code: 1h6y:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The Role of Conserved Amino Acids in the Cleft of the C-Terminal Family 22 Carbohydrate Binding Module of Clostridium Thermocellum XYN10B in Ligand Binding


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Role of Conserved Amino Acids in the Cleft of the C-Terminal Family 22 Carbohydrate Binding Module of Clostridium Thermocellum XYN10B in Ligand Binding within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1161 b:34.3 occ:1.00 O A:HOH2046 2.2 31.9 1.0 O A:THR14 2.3 34.6 1.0 O A:LYS39 2.3 36.7 1.0 OE2 A:GLU16 2.3 43.9 1.0 O A:GLU42 2.3 36.2 1.0 OD1 A:ASP149 2.6 28.4 1.0 OD2 A:ASP149 2.6 29.5 1.0 CG A:ASP149 3.0 30.8 1.0 C A:LYS39 3.5 37.3 1.0 C A:THR14 3.5 34.8 1.0 CD A:GLU16 3.5 43.6 1.0 C A:GLU42 3.5 36.5 1.0 N A:LYS39 4.2 36.6 1.0 CG A:GLU16 4.2 41.2 1.0 CA A:THR14 4.2 34.4 1.0 N A:GLU42 4.2 37.8 1.0 CA A:LYS39 4.3 37.3 1.0 CA A:GLU42 4.4 37.8 1.0 N A:GLY40 4.4 37.4 1.0 CA A:GLY40 4.5 37.0 1.0 N A:SER43 4.5 35.6 1.0 CB A:ASP149 4.5 29.3 1.0 CB A:THR14 4.5 34.7 1.0 OE1 A:GLU16 4.5 43.9 1.0 N A:PHE15 4.6 35.1 1.0 OE1 A:GLU150 4.6 35.5 1.0 CA A:SER43 4.6 34.9 1.0 CB A:ALA37 4.6 35.5 1.0 CB A:LYS39 4.7 37.5 1.0 CB A:PHE15 4.7 35.3 1.0 C A:PHE15 4.8 37.1 1.0 C A:GLY40 4.8 37.1 1.0 N A:GLU16 4.8 38.5 1.0 CA A:PHE15 4.9 35.9 1.0 N A:TYR38 4.9 35.9 1.0 N A:SER41 4.9 37.6 1.0 CB A:GLU42 5.0 38.5 1.0

Calcium binding site 2 out of 2 in the The Role of Conserved Amino Acids in the Cleft of the C-Terminal Family 22 Carbohydrate Binding Module of Clostridium Thermocellum XYN10B in Ligand Binding


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Role of Conserved Amino Acids in the Cleft of the C-Terminal Family 22 Carbohydrate Binding Module of Clostridium Thermocellum XYN10B in Ligand Binding within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1161 b:33.8 occ:1.00 O B:HOH2156 2.2 36.3 1.0 O B:GLU42 2.3 35.2 1.0 OE2 B:GLU16 2.4 39.5 1.0 O B:THR14 2.4 33.2 1.0 OD2 B:ASP149 2.5 31.8 1.0 O B:LYS39 2.5 38.7 1.0 OD1 B:ASP149 2.6 32.7 1.0 CG B:ASP149 2.9 30.9 1.0 C B:GLU42 3.4 35.9 1.0 CD B:GLU16 3.5 40.2 1.0 C B:THR14 3.6 34.0 1.0 C B:LYS39 3.6 38.6 1.0 CG B:GLU16 4.0 39.0 1.0 N B:GLU42 4.1 37.9 1.0 CA B:GLU42 4.3 37.4 1.0 CA B:THR14 4.3 33.9 1.0 N B:LYS39 4.4 37.3 1.0 CB B:ASP149 4.4 30.1 1.0 N B:GLY40 4.5 38.5 1.0 N B:SER43 4.5 34.1 1.0 CA B:GLY40 4.5 38.1 1.0 CA B:LYS39 4.5 38.6 1.0 OE1 B:GLU16 4.5 41.5 1.0 CB B:THR14 4.6 34.5 1.0 CB B:ALA37 4.6 33.3 1.0 CA B:SER43 4.7 31.7 1.0 N B:PHE15 4.7 33.9 1.0 C B:GLY40 4.7 38.3 1.0 N B:GLU16 4.7 37.0 1.0 CB B:PHE15 4.8 33.9 1.0 OE1 B:GLU150 4.8 36.4 1.0 C B:PHE15 4.8 35.9 1.0 N B:SER41 4.8 38.4 1.0 CB B:LYS39 4.8 38.9 1.0 CB B:GLU42 4.9 38.1 1.0 CA B:PHE15 4.9 34.7 1.0

H.Xie, H.J.Gilbert, S.J.Charnock, G.J.Davies, M.P.Williamson, P.J.Simpson, S.Raghothama, C.M.G.A.Fontes, F.M.Dias, L.M.A.Ferreira, D.N.Bolam. Clostridium Thermocellum XYN10B Carbohydrate- Binding Module 22-2: the Role of Conserved Amino Acids in Ligand Binding Biochemistry V. 40 9167 2001.
ISSN: ISSN 0006-2960
PubMed: 11478884
DOI: 10.1021/BI0106742