Calcium in PDB 4a6o: CPGH89CBM32-4, Produced By Clostridium Perfringens, in Complex with Glcnac-Alpha-1,4-Galactose

All present enzymatic activity of CPGH89CBM32-4, Produced By Clostridium Perfringens, in Complex with Glcnac-Alpha-1,4-Galactose:
3.2.1.50;

The structure of CPGH89CBM32-4, Produced By Clostridium Perfringens, in Complex with Glcnac-Alpha-1,4-Galactose, PDB code: 4a6o was solved by E.Ficko-Blean, C.P.Stuart, M.D.Suits, M.Cid, M.Tessier, R.J.Woods, A.B.Boraston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	89.710, 49.890, 63.170, 90.00, 90.00, 90.00
R / Rfree (%)	28.505 / 31.772

The binding sites of Calcium atom in the CPGH89CBM32-4, Produced By Clostridium Perfringens, in Complex with Glcnac-Alpha-1,4-Galactose (pdb code 4a6o). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the CPGH89CBM32-4, Produced By Clostridium Perfringens, in Complex with Glcnac-Alpha-1,4-Galactose, PDB code: 4a6o:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the CPGH89CBM32-4, Produced By Clostridium Perfringens, in Complex with Glcnac-Alpha-1,4-Galactose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of CPGH89CBM32-4, Produced By Clostridium Perfringens, in Complex with Glcnac-Alpha-1,4-Galactose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2346 b:24.9 occ:1.00 O A:ASN1230 2.2 20.2 1.0 O A:ASP1235 2.3 22.7 1.0 O A:ALA1337 2.3 20.5 1.0 OE1 A:GLU1338 2.4 20.3 1.0 O A:SER1238 2.5 22.6 1.0 OD1 A:ASP1233 2.6 21.4 1.0 OG A:SER1238 2.9 23.5 1.0 C A:ASN1230 3.4 20.0 1.0 C A:ALA1337 3.5 20.4 1.0 C A:ASP1235 3.5 23.3 1.0 CD A:GLU1338 3.6 19.7 1.0 C A:SER1238 3.6 23.5 1.0 CG A:ASP1233 3.6 21.9 1.0 CB A:SER1238 4.0 24.5 1.0 OD2 A:ASP1233 4.1 23.0 1.0 CA A:SER1238 4.2 24.7 1.0 CA A:ASN1230 4.2 20.7 1.0 CB A:GLU1338 4.2 19.8 1.0 N A:SER1238 4.2 25.0 1.0 N A:ASP1235 4.4 22.6 1.0 CB A:ASN1230 4.4 21.6 1.0 OE2 A:GLU1338 4.4 19.4 1.0 N A:GLU1338 4.4 19.9 1.0 N A:ILE1231 4.4 19.2 1.0 CA A:GLU1338 4.4 19.3 1.0 CA A:ASP1235 4.4 23.8 1.0 CA A:ALA1337 4.5 21.2 1.0 N A:LEU1236 4.5 23.9 1.0 CG A:GLU1338 4.5 19.5 1.0 CA A:LEU1236 4.5 23.6 1.0 CA A:ILE1231 4.6 18.6 1.0 N A:LEU1239 4.7 23.7 1.0 C A:ILE1231 4.7 18.3 1.0 CB A:ASP1235 4.8 24.7 1.0 C A:LEU1236 4.8 24.4 1.0 N A:ASP1233 4.8 19.6 1.0 CB A:ASP1233 4.9 21.4 1.0 O A:ILE1231 4.9 18.1 1.0 N A:SER1237 5.0 25.3 1.0

Calcium binding site 2 out of 3 in the CPGH89CBM32-4, Produced By Clostridium Perfringens, in Complex with Glcnac-Alpha-1,4-Galactose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of CPGH89CBM32-4, Produced By Clostridium Perfringens, in Complex with Glcnac-Alpha-1,4-Galactose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca2344 b:11.4 occ:1.00 OD2 B:ASP1254 2.0 18.2 1.0 OE2 B:GLU1256 2.8 18.4 1.0 OE1 B:GLU1256 3.0 18.6 1.0 CG B:ASP1254 3.0 17.9 1.0 CD B:GLU1256 3.2 18.4 1.0 OD1 B:ASP1254 3.5 17.8 1.0 O B:HOH2024 3.7 18.6 1.0 O B:HOH2026 3.9 21.7 1.0 CB B:ASP1254 4.3 17.7 1.0 CG B:GLU1256 4.5 18.1 1.0 CA B:GLU1256 4.6 17.9 1.0 O B:HOH2023 4.8 17.9 1.0 O B:HOH2025 4.8 19.1 1.0 N B:GLU1256 5.0 17.6 1.0 CB B:GLU1256 5.0 18.1 1.0

Calcium binding site 3 out of 3 in the CPGH89CBM32-4, Produced By Clostridium Perfringens, in Complex with Glcnac-Alpha-1,4-Galactose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of CPGH89CBM32-4, Produced By Clostridium Perfringens, in Complex with Glcnac-Alpha-1,4-Galactose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca2345 b:26.0 occ:1.00 O B:ASN1230 2.2 18.5 1.0 O B:ASP1235 2.2 19.1 1.0 O B:ALA1337 2.3 18.3 1.0 OE1 B:GLU1338 2.4 18.3 1.0 OG B:SER1238 2.5 19.4 1.0 O B:SER1238 2.7 19.1 1.0 OD1 B:ASP1233 2.8 18.9 1.0 C B:ASP1235 3.3 19.3 1.0 C B:ASN1230 3.4 18.5 1.0 C B:ALA1337 3.4 18.2 1.0 CD B:GLU1338 3.6 18.1 1.0 C B:SER1238 3.7 19.5 1.0 CB B:SER1238 3.8 19.9 1.0 CG B:ASP1233 3.8 19.2 1.0 CB B:GLU1338 4.0 18.0 1.0 CA B:SER1238 4.1 19.9 1.0 OD2 B:ASP1233 4.1 19.5 1.0 N B:SER1238 4.1 19.9 1.0 N B:ASP1235 4.1 19.1 1.0 CA B:ASP1235 4.2 19.5 1.0 CA B:GLU1338 4.2 17.8 1.0 N B:GLU1338 4.2 18.0 1.0 N B:ILE1231 4.3 18.2 1.0 CB B:ASP1235 4.3 19.8 1.0 CA B:ASN1230 4.3 18.9 1.0 N B:LEU1236 4.3 19.4 1.0 CA B:ILE1231 4.4 17.9 1.0 CA B:ALA1337 4.4 18.4 1.0 CG B:GLU1338 4.4 17.9 1.0 OE2 B:GLU1338 4.4 18.0 1.0 C B:ILE1231 4.5 17.7 1.0 CA B:LEU1236 4.5 19.2 1.0 CB B:ASN1230 4.5 19.2 1.0 O B:ILE1231 4.6 17.6 1.0 C B:LEU1236 4.7 19.5 1.0 N B:ASP1233 4.8 18.4 1.0 N B:LEU1239 4.8 19.7 1.0 N B:SER1237 4.9 19.9 1.0 CB B:ALA1337 4.9 18.7 1.0 N B:THR1232 5.0 17.8 1.0

E.Ficko-Blean, C.P.Stuart, M.D.Suits, M.Cid, M.Tessier, R.J.Woods, A.B.Boraston. Carbohydrate Recognition By An Architecturally Complex Alpha-N-Acetylglucosaminidase From Clostridium Perfringens. Plos One V. 7 33524 2012.
ISSN: ISSN 1932-6203
PubMed: 22479408
DOI: 10.1371/JOURNAL.PONE.0033524