Calcium in PDB 2w47: Clostridium Thermocellum CBM35 in Complex with Delta-4,5- Anhydrogalacturonic Acid

The structure of Clostridium Thermocellum CBM35 in Complex with Delta-4,5- Anhydrogalacturonic Acid, PDB code: 2w47 was solved by C.Montainer, A.Lammerts Van Bueren, C.Dumon, J.E.Flint, M.A.Correia, J.A.Prates, S.J.Firbank, R.J.Lewis, G.G.Grondin, M.G.Ghinet, T.M.Gloster, C.Herve, J.P.Knox, B.G.Talbot, J.P.Turkenburg, J.Kerovuo, R.Brzezinski, C.M.G.A.Fontes, G.J.Davies, A.B.Boraston, H.J.Gilbert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	74.54 / 1.40
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	86.033, 86.033, 75.905, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 20.1

The binding sites of Calcium atom in the Clostridium Thermocellum CBM35 in Complex with Delta-4,5- Anhydrogalacturonic Acid (pdb code 2w47). 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 Clostridium Thermocellum CBM35 in Complex with Delta-4,5- Anhydrogalacturonic Acid, PDB code: 2w47:

Calcium binding site 1 out of 1 in the Clostridium Thermocellum CBM35 in Complex with Delta-4,5- Anhydrogalacturonic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Clostridium Thermocellum CBM35 in Complex with Delta-4,5- Anhydrogalacturonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1137 b:13.2 occ:1.00 OD1 A:ASN33 2.2 9.9 1.0 OAN A:UNF1138 2.3 16.5 1.0 O A:HOH2221 2.3 9.9 1.0 O A:TYR34 2.3 8.0 1.0 O A:HOH2105 2.4 21.6 1.0 O A:HOH2222 2.6 8.8 1.0 OD1 A:ASN36 2.6 18.0 1.0 O A:HOH2098 3.3 24.9 1.0 C6 A:UNF1138 3.4 16.6 1.0 C A:TYR34 3.4 8.1 1.0 CG A:ASN33 3.4 10.2 1.0 N A:TYR34 3.6 7.5 1.0 CG A:ASN36 3.7 14.7 1.0 NH1 A:ARG68 3.9 10.5 1.0 CA A:TYR34 4.0 7.6 1.0 C4 A:UNF1138 4.0 17.7 1.0 C5 A:UNF1138 4.1 16.8 1.0 C A:ASN33 4.1 7.6 1.0 OD1 A:ASN122 4.1 8.9 1.0 CB A:TYR34 4.2 7.2 1.0 ND2 A:ASN33 4.2 13.7 1.0 O6 A:UNF1138 4.2 15.2 1.0 ND2 A:ASN36 4.2 18.1 1.0 O A:GLY120 4.2 7.3 1.0 C A:HIS35 4.5 9.6 1.0 CA A:ASN33 4.5 7.4 1.0 CB A:ASN33 4.6 7.9 1.0 N A:HIS35 4.6 8.8 1.0 O A:HOH2096 4.6 34.9 1.0 N A:ASN36 4.6 9.4 1.0 O A:ASP118 4.7 10.1 1.0 O A:HIS35 4.7 9.7 1.0 CZ A:ARG68 4.8 9.4 1.0 O A:ASN33 4.8 7.6 1.0 CA A:HIS35 4.8 9.2 1.0 CB A:ASN36 4.9 11.3 1.0 CA A:ASN36 4.9 10.8 1.0 NH2 A:ARG68 5.0 10.6 1.0 O A:HOH2101 5.0 12.8 1.0

C.Montanier, A.L.Van Bueren, C.Dumon, J.E.Flint, M.A.Correia, J.A.Prates, S.J.Firbank, R.J.Lewis, G.G.Grondin, M.G.Ghinet, T.M.Gloster, C.Herve, J.P.Knox, B.G.Talbot, J.P.Turkenburg, J.Kerovuo, R.Brzezinski, C.M.G.A.Fontes, G.J.Davies, A.B.Boraston, H.J.Gilbert. Evidence That Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function. Proc.Natl.Acad.Sci.Usa V. 106 3065 2009.
ISSN: ISSN 0027-8424
PubMed: 19218457
DOI: 10.1073/PNAS.0808972106