Calcium in PDB 1h6x: 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: 1h6x 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)	15 / 2.23
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	38.680, 38.680, 207.530, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 26

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 1h6x). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was 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: 1h6x:

Calcium binding site 1 out of 1 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:Ca1162 b:25.1 occ:1.00 O A:GLU42 2.3 28.2 1.0 O A:HOH2033 2.3 36.7 1.0 O A:THR14 2.3 25.3 1.0 O A:LYS39 2.5 33.5 1.0 OD1 A:ASP149 2.5 20.8 1.0 OE2 A:GLU16 2.6 30.4 1.0 OD2 A:ASP149 2.7 22.8 1.0 CG A:ASP149 2.9 21.3 1.0 C A:THR14 3.5 25.1 1.0 C A:GLU42 3.5 28.4 1.0 C A:LYS39 3.6 33.6 1.0 CD A:GLU16 3.6 30.3 1.0 CG A:GLU16 4.1 29.2 1.0 CA A:THR14 4.1 25.0 1.0 N A:GLU42 4.2 30.4 1.0 N A:LYS39 4.3 33.5 1.0 CB A:THR14 4.4 25.3 1.0 CA A:GLU42 4.4 29.4 1.0 CA A:LYS39 4.4 33.7 1.0 N A:GLY40 4.4 33.6 1.0 CB A:ASP149 4.4 20.1 1.0 N A:SER43 4.5 26.9 1.0 CA A:GLY40 4.5 33.1 1.0 N A:PHE15 4.6 25.2 1.0 CA A:SER43 4.6 26.3 1.0 C A:PHE15 4.6 26.1 1.0 CB A:PHE15 4.6 24.6 1.0 CB A:LYS39 4.7 33.9 1.0 OE1 A:GLU16 4.7 31.7 1.0 O A:PHE15 4.7 25.6 1.0 C A:GLY40 4.8 32.7 1.0 CA A:PHE15 4.8 25.0 1.0 CB A:ALA37 4.9 32.5 1.0 N A:GLU16 4.9 27.0 1.0 N A:SER41 5.0 32.5 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