Calcium in PDB 4p5y: Structure of CBM32-3 From A Family 31 Glycoside Hydrolase From Clostridium Perfringens in Complex with N-Acetylgalactosamine

The structure of Structure of CBM32-3 From A Family 31 Glycoside Hydrolase From Clostridium Perfringens in Complex with N-Acetylgalactosamine, PDB code: 4p5y was solved by J.M.Grondin, J.S.Allingham, A.B.Boraston, S.P.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.89 / 2.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	60.650, 60.650, 83.610, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 22.1

The binding sites of Calcium atom in the Structure of CBM32-3 From A Family 31 Glycoside Hydrolase From Clostridium Perfringens in Complex with N-Acetylgalactosamine (pdb code 4p5y). 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 Structure of CBM32-3 From A Family 31 Glycoside Hydrolase From Clostridium Perfringens in Complex with N-Acetylgalactosamine, PDB code: 4p5y:

Calcium binding site 1 out of 1 in the Structure of CBM32-3 From A Family 31 Glycoside Hydrolase From Clostridium Perfringens in Complex with N-Acetylgalactosamine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of CBM32-3 From A Family 31 Glycoside Hydrolase From Clostridium Perfringens in Complex with N-Acetylgalactosamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:39.1 occ:1.00 O A:ASN37 2.2 27.8 1.0 O A:ASP42 2.4 31.8 1.0 OG1 A:THR45 2.4 31.7 1.0 O A:ALA155 2.4 30.0 1.0 OD1 A:ASP40 2.5 32.6 1.0 O A:THR45 2.6 28.1 1.0 C A:THR45 3.3 27.8 1.0 C A:ASN37 3.4 26.9 1.0 C A:ASP42 3.4 31.3 1.0 CG A:ASP40 3.4 27.1 1.0 C A:ALA155 3.6 25.7 1.0 CB A:THR45 3.6 31.1 1.0 OD2 A:ASP40 3.7 27.2 1.0 CA A:THR45 3.8 26.2 1.0 N A:THR45 3.9 27.9 1.0 O A:HOH351 3.9 32.9 1.0 N A:ASP42 4.0 31.5 1.0 CA A:ASP42 4.0 27.1 1.0 CB A:ASP42 4.1 27.8 1.0 CA A:ASN37 4.1 24.0 1.0 CG A:GLU156 4.2 30.2 1.0 CB A:ASN37 4.3 29.7 1.0 CA A:ALA155 4.3 27.6 1.0 N A:ILE46 4.3 28.0 1.0 N A:ALA38 4.5 22.6 1.0 N A:GLU43 4.6 29.4 1.0 N A:GLU156 4.6 22.4 1.0 CA A:ALA38 4.6 24.1 1.0 CA A:ILE46 4.7 28.0 1.0 CG2 A:THR45 4.7 27.3 1.0 N A:ASP40 4.7 28.0 1.0 C A:ALA38 4.8 26.5 1.0 CB A:ASP40 4.8 18.4 1.0 CA A:GLU156 4.8 23.8 1.0 C A:GLU43 4.9 27.1 1.0 CA A:GLU43 4.9 30.3 1.0 CB A:ALA155 5.0 22.8 1.0 N A:ASN44 5.0 28.5 1.0

J.M.Grondin, D.Duan, A.C.Kirlin, K.T.Abe, S.Chitayat, H.L.Spencer, C.Spencer, A.Campigotto, S.Houliston, C.H.Arrowsmith, J.S.Allingham, A.B.Boraston, S.P.Smith. Diverse Modes of Galacto-Specific Carbohydrate Recognition By A Family 31 Glycoside Hydrolase From Clostridium Perfringens. Plos One V. 12 71606 2017.
ISSN: ESSN 1932-6203
PubMed: 28158290
DOI: 10.1371/JOURNAL.PONE.0171606