Calcium in PDB 7mfl: Structure of the Clostridium Perfringens GH89 in Complex with Beta- Hnjnac

The structure of Structure of the Clostridium Perfringens GH89 in Complex with Beta- Hnjnac, PDB code: 7mfl was solved by A.B.Boraston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.79 / 2.00
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	91, 91, 252.812, 90, 90, 120
R / Rfree (%)	16.2 / 19.7

The binding sites of Calcium atom in the Structure of the Clostridium Perfringens GH89 in Complex with Beta- Hnjnac (pdb code 7mfl). 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 the Clostridium Perfringens GH89 in Complex with Beta- Hnjnac, PDB code: 7mfl:

Calcium binding site 1 out of 1 in the Structure of the Clostridium Perfringens GH89 in Complex with Beta- Hnjnac


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of the Clostridium Perfringens GH89 in Complex with Beta- Hnjnac within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1002 b:25.0 occ:1.00 O A:ASP53 2.3 28.6 1.0 O A:LEU48 2.3 25.3 1.0 OE2 A:GLU149 2.4 25.2 1.0 O A:THR56 2.4 22.7 1.0 O A:ALA148 2.5 27.7 1.0 OD1 A:ASP51 2.5 30.1 1.0 OG1 A:THR56 2.6 25.2 1.0 C A:THR56 3.2 27.1 1.0 C A:ASP53 3.4 32.7 1.0 CD A:GLU149 3.4 23.8 1.0 CG A:ASP51 3.5 30.2 1.0 C A:LEU48 3.5 26.8 1.0 C A:ALA148 3.6 29.3 1.0 CB A:THR56 3.8 24.1 1.0 CG A:GLU149 3.8 25.7 1.0 CA A:THR56 3.9 25.1 1.0 OD2 A:ASP51 3.9 26.8 1.0 N A:ASP53 3.9 27.9 1.0 N A:THR56 4.0 28.9 1.0 CA A:ASP53 4.1 31.7 1.0 N A:TYR57 4.2 26.9 1.0 CB A:ASP53 4.3 24.4 1.0 CA A:LEU48 4.4 23.4 1.0 CA A:ALA148 4.4 27.8 1.0 N A:ALA49 4.5 26.0 1.0 N A:LEU54 4.5 29.8 1.0 CA A:ALA49 4.5 27.3 1.0 N A:ASP51 4.5 27.3 1.0 CA A:TYR57 4.5 25.3 1.0 C A:ALA49 4.5 26.1 1.0 OE1 A:GLU149 4.6 26.0 1.0 N A:GLU149 4.6 23.2 1.0 CB A:LEU48 4.7 25.6 1.0 CA A:LEU54 4.7 31.8 1.0 CB A:ASP51 4.7 27.2 1.0 CA A:GLU149 4.8 24.1 1.0 N A:ILE50 4.8 24.5 1.0 CB A:GLU149 4.8 25.7 1.0 O A:ALA49 4.9 29.1 1.0 N A:GLY52 4.9 24.2 1.0 C A:LEU54 4.9 34.8 1.0 CG2 A:THR56 4.9 21.7 1.0 CA A:ASP51 5.0 30.3 1.0

S.Zhu, Y.Jagadeesh, A.T.Tran, S.Imaeda, A.Boraston, D.S.Alonzi, A.Poveda, Y.Zhang, J.Desire, J.Charollais-Thoenig, S.Demotz, A.Kato, T.D.Butters, J.Jimenez-Barbero, M.Sollogoub, Y.Bleriot. Iminosugar C-Glycosides Work As Pharmacological Chaperones of Naglu, A Glycosidase Involved in Mps Iiib Rare Disease*. Chemistry 2021.
ISSN: ISSN 0947-6539
PubMed: 34106504
DOI: 10.1002/CHEM.202101408