Calcium in PDB 1i8u: Family 9 Carbohydrate-Binding Module From Thermotoga Maritima Xylanase 10A

All present enzymatic activity of Family 9 Carbohydrate-Binding Module From Thermotoga Maritima Xylanase 10A:
3.2.1.8;

The structure of Family 9 Carbohydrate-Binding Module From Thermotoga Maritima Xylanase 10A, PDB code: 1i8u was solved by V.Notenboom, A.B.Boraston, R.A.J.Warren, D.G.Kilburn, D.R.Rose, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.90
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	56.560, 56.560, 122.570, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 23.7

The binding sites of Calcium atom in the Family 9 Carbohydrate-Binding Module From Thermotoga Maritima Xylanase 10A (pdb code 1i8u). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Family 9 Carbohydrate-Binding Module From Thermotoga Maritima Xylanase 10A, PDB code: 1i8u:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Family 9 Carbohydrate-Binding Module From Thermotoga Maritima Xylanase 10A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Family 9 Carbohydrate-Binding Module From Thermotoga Maritima Xylanase 10A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca189 b:2.0 occ:1.00 OD1 A:ASP94 2.4 9.4 1.0 OD1 A:ASP93 2.5 9.7 1.0 OD1 A:ASP81 2.5 11.4 1.0 OD1 A:ASN83 2.5 10.7 1.0 OD2 A:ASP93 2.5 9.3 1.0 O A:HOH199 2.7 17.4 1.0 OE1 A:GLU91 2.7 12.5 1.0 CG A:ASP93 2.8 10.7 1.0 CG A:ASP94 3.0 10.3 1.0 OD2 A:ASP94 3.0 9.4 1.0 CG A:ASP81 3.3 12.4 1.0 CG A:ASN83 3.3 11.4 1.0 ND2 A:ASN83 3.6 10.3 1.0 OD2 A:ASP81 3.8 12.2 1.0 CD A:GLU91 3.8 12.4 1.0 CB A:GLU91 4.0 12.4 1.0 CG A:GLU91 4.2 12.7 1.0 N A:ASN83 4.2 11.7 1.0 CA A:ASP81 4.3 12.3 1.0 N A:HIS85 4.3 11.9 1.0 CB A:ASP93 4.3 11.2 1.0 CB A:ASP81 4.3 12.4 1.0 CB A:ASP94 4.4 10.2 1.0 CB A:HIS85 4.4 12.3 1.0 N A:ASP94 4.4 12.0 1.0 C A:ASP81 4.5 12.4 1.0 N A:GLU82 4.5 12.6 1.0 CB A:ASN83 4.6 11.0 1.0 N A:ASN84 4.6 11.6 1.0 C A:ASP93 4.7 12.1 1.0 O A:HOH223 4.7 19.6 1.0 CA A:ASP94 4.7 11.0 1.0 CA A:ASN83 4.8 11.5 1.0 C A:ASN83 4.9 11.4 1.0 CG A:HIS85 4.9 11.7 1.0 OG1 A:THR87 4.9 12.0 1.0 OE2 A:GLU91 4.9 13.2 1.0 CA A:HIS85 5.0 12.0 1.0 CA A:ASP93 5.0 12.2 1.0

Calcium binding site 2 out of 3 in the Family 9 Carbohydrate-Binding Module From Thermotoga Maritima Xylanase 10A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Family 9 Carbohydrate-Binding Module From Thermotoga Maritima Xylanase 10A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca190 b:2.0 occ:1.00 O A:VAL10 2.3 12.6 1.0 O A:GLU14 2.4 15.7 1.0 OD1 A:ASP12 2.5 12.9 1.0 OD1 A:ASP16 2.5 14.1 1.0 O A:HOH229 2.5 9.4 1.0 OE1 A:GLU130 2.6 11.2 1.0 OE2 A:GLU130 2.7 10.0 1.0 CD A:GLU130 3.0 10.7 1.0 CG A:ASP16 3.4 14.1 1.0 CG A:ASP12 3.4 13.4 1.0 C A:GLU14 3.5 16.5 1.0 C A:VAL10 3.5 13.2 1.0 OD2 A:ASP16 3.6 13.2 1.0 N A:GLU14 3.8 16.6 1.0 OD2 A:ASP12 3.8 13.4 1.0 N A:ASP12 3.9 12.7 1.0 CA A:GLU14 4.1 17.6 1.0 N A:GLY13 4.3 14.5 1.0 CB A:GLU14 4.3 19.1 1.0 N A:VAL10 4.3 13.1 1.0 N A:ASP16 4.3 15.2 1.0 CA A:VAL10 4.3 13.1 1.0 CB A:VAL10 4.4 13.2 1.0 CG A:GLU130 4.4 11.0 1.0 N A:ILE11 4.5 12.6 1.0 NE1 A:TRP19 4.5 11.5 1.0 N A:ILE15 4.5 15.6 1.0 CB A:ASP12 4.6 13.2 1.0 CA A:ILE11 4.6 12.4 1.0 CA A:ASP12 4.6 12.9 1.0 C A:ILE11 4.7 12.4 1.0 C A:GLY13 4.7 16.0 1.0 CB A:ASP16 4.7 14.6 1.0 C A:ASP12 4.7 13.6 1.0 CA A:ILE15 4.8 15.1 1.0 C A:ILE15 4.9 14.5 1.0 CA A:ASP16 5.0 15.0 1.0

Calcium binding site 3 out of 3 in the Family 9 Carbohydrate-Binding Module From Thermotoga Maritima Xylanase 10A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Family 9 Carbohydrate-Binding Module From Thermotoga Maritima Xylanase 10A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca191 b:2.0 occ:1.00 O A:VAL62 2.4 14.3 1.0 OD1 A:ASP154 2.4 11.4 1.0 OD2 A:ASP60 2.5 12.8 1.0 OD1 A:ASP60 2.6 13.1 1.0 OD1 A:ASP74 2.6 9.9 1.0 O A:ALA155 2.6 12.8 1.0 OD2 A:ASP74 2.7 10.8 1.0 O A:HOH214 2.7 9.4 1.0 CG A:ASP60 2.9 13.3 1.0 CG A:ASP74 2.9 10.8 1.0 C A:VAL62 3.6 14.7 1.0 CG A:ASP154 3.6 11.8 1.0 N A:ALA155 3.7 12.4 1.0 C A:ALA155 3.7 13.8 1.0 O A:HOH231 4.0 20.1 1.0 CB A:ASP74 4.3 11.1 1.0 CA A:ALA155 4.3 12.8 1.0 OD2 A:ASP154 4.4 11.0 1.0 C A:ASP154 4.4 11.6 1.0 CA A:ASP154 4.4 11.9 1.0 CB A:ASP60 4.4 13.1 1.0 CA A:VAL62 4.5 14.3 1.0 N A:LEU63 4.5 14.4 1.0 CA A:LEU63 4.5 14.8 1.0 CB A:VAL62 4.6 14.0 1.0 N A:VAL62 4.6 14.6 1.0 CB A:ASP154 4.6 11.3 1.0 N A:ASN156 4.8 14.6 1.0 O A:HOH208 4.8 7.0 1.0 N A:ASN64 4.8 14.6 1.0

V.Notenboom, A.B.Boraston, D.G.Kilburn, D.R.Rose. Crystal Structures of the Family 9 Carbohydrate-Binding Module From Thermotoga Maritima Xylanase 10A in Native and Ligand-Bound Forms. Biochemistry V. 40 6248 2001.
ISSN: ISSN 0006-2960
PubMed: 11371186
DOI: 10.1021/BI0101704