Calcium in PDB 1i82: Family 9 Carbohydrate-Binding Module From Thermotoga Maritima Xylanase 10A with Cellobiose

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

The structure of Family 9 Carbohydrate-Binding Module From Thermotoga Maritima Xylanase 10A with Cellobiose, PDB code: 1i82 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 (°)	56.670, 56.670, 122.970, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 23.5

The binding sites of Calcium atom in the Family 9 Carbohydrate-Binding Module From Thermotoga Maritima Xylanase 10A with Cellobiose (pdb code 1i82). 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 with Cellobiose, PDB code: 1i82:
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 with Cellobiose


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 with Cellobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca191 b:2.0 occ:1.00 OD2 A:ASP93 2.4 8.3 1.0 OD1 A:ASP94 2.5 8.2 1.0 OE1 A:GLU91 2.5 9.4 1.0 OD1 A:ASP81 2.5 7.3 1.0 OD1 A:ASN83 2.5 8.3 1.0 OD1 A:ASP93 2.5 8.6 1.0 O A:HOH195 2.8 6.1 1.0 OD2 A:ASP94 2.8 8.2 1.0 CG A:ASP93 2.8 8.4 1.0 CG A:ASP94 2.9 8.2 1.0 CG A:ASP81 3.3 7.7 1.0 CG A:ASN83 3.3 8.7 1.0 CD A:GLU91 3.6 9.6 1.0 ND2 A:ASN83 3.6 8.9 1.0 OD2 A:ASP81 3.7 8.0 1.0 CB A:GLU91 4.0 9.6 1.0 CG A:GLU91 4.0 9.7 1.0 CB A:ASP93 4.3 8.6 1.0 N A:ASN83 4.3 8.1 1.0 CB A:ASP94 4.3 8.3 1.0 N A:ASP94 4.4 8.5 1.0 CA A:ASP81 4.4 8.0 1.0 CB A:ASP81 4.4 8.1 1.0 N A:HIS85 4.4 8.0 1.0 CB A:HIS85 4.5 8.2 1.0 N A:GLU82 4.6 8.1 1.0 C A:ASP81 4.6 8.1 1.0 CB A:ASN83 4.6 8.5 1.0 N A:ASN84 4.6 7.9 1.0 OE2 A:GLU91 4.7 9.5 1.0 C A:ASP93 4.7 8.6 1.0 O A:HOH220 4.7 12.4 1.0 CA A:ASP94 4.7 8.3 1.0 OG1 A:THR87 4.8 8.8 1.0 CG A:HIS85 4.8 8.1 1.0 CA A:ASN83 4.9 8.2 1.0 CA A:ASP93 4.9 8.6 1.0 ND1 A:HIS85 5.0 8.0 1.0

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


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 with Cellobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca192 b:2.0 occ:1.00 O A:VAL10 2.4 11.4 1.0 O A:GLU14 2.4 12.5 1.0 OD1 A:ASP16 2.4 13.5 1.0 O A:HOH217 2.4 6.9 1.0 OD1 A:ASP12 2.4 10.8 1.0 OE1 A:GLU130 2.6 8.2 1.0 OE2 A:GLU130 2.6 8.5 1.0 CD A:GLU130 3.0 8.6 1.0 CG A:ASP12 3.3 11.3 1.0 CG A:ASP16 3.4 13.1 1.0 C A:GLU14 3.5 12.5 1.0 C A:VAL10 3.6 11.5 1.0 OD2 A:ASP12 3.7 11.4 1.0 OD2 A:ASP16 3.8 12.8 1.0 N A:GLU14 3.8 12.3 1.0 N A:ASP12 3.9 11.5 1.0 CA A:GLU14 4.1 12.5 1.0 N A:ASP16 4.2 12.6 1.0 CB A:GLU14 4.2 12.6 1.0 N A:VAL10 4.2 11.5 1.0 N A:GLY13 4.3 11.9 1.0 CA A:VAL10 4.3 11.7 1.0 CG A:GLU130 4.5 8.6 1.0 CB A:VAL10 4.5 11.5 1.0 N A:ILE15 4.5 12.6 1.0 CB A:ASP12 4.5 11.4 1.0 N A:ILE11 4.5 11.4 1.0 NE1 A:TRP19 4.6 10.3 1.0 CA A:ASP12 4.6 11.6 1.0 CA A:ILE11 4.6 11.6 1.0 CB A:ASP16 4.7 12.9 1.0 C A:ILE11 4.7 11.4 1.0 C A:GLY13 4.7 12.2 1.0 C A:ASP12 4.8 11.7 1.0 CA A:ILE15 4.8 12.7 1.0 C A:ILE15 4.9 12.7 1.0 CA A:ASP16 4.9 12.7 1.0

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


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 with Cellobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca193 b:2.0 occ:1.00 OD1 A:ASP154 2.3 9.9 1.0 O A:VAL62 2.3 11.8 1.0 OD1 A:ASP60 2.4 10.6 1.0 OD1 A:ASP74 2.5 10.0 1.0 O A:ALA155 2.5 11.7 1.0 OD2 A:ASP60 2.6 10.4 1.0 O A:HOH218 2.6 11.8 1.0 OD2 A:ASP74 2.8 10.3 1.0 CG A:ASP60 2.8 10.4 1.0 CG A:ASP74 2.9 10.0 1.0 CG A:ASP154 3.5 10.1 1.0 C A:VAL62 3.6 11.7 1.0 N A:ALA155 3.6 10.9 1.0 C A:ALA155 3.6 11.9 1.0 O A:HOH253 4.0 15.7 1.0 OD2 A:ASP154 4.2 10.4 1.0 CA A:ALA155 4.2 11.5 1.0 C A:ASP154 4.3 10.5 1.0 CB A:ASP74 4.3 9.9 1.0 CB A:ASP60 4.3 10.5 1.0 CA A:ASP154 4.4 10.2 1.0 CA A:VAL62 4.4 11.5 1.0 N A:LEU63 4.5 11.8 1.0 CB A:VAL62 4.5 11.6 1.0 N A:VAL62 4.5 11.2 1.0 CB A:ASP154 4.5 10.1 1.0 CA A:LEU63 4.6 12.2 1.0 N A:ASN156 4.7 12.4 1.0 O A:HOH211 4.9 9.2 1.0 N A:ASN64 4.9 12.2 1.0 CG1 A:VAL62 5.0 11.3 1.0 CB A:ALA155 5.0 11.7 1.0 CA A:ASN156 5.0 13.1 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