Magnesium in PDB 4zzw: Geotrichum Candidum CEL7A Structure Complex with Cellobiose at 1.5A

All present enzymatic activity of Geotrichum Candidum CEL7A Structure Complex with Cellobiose at 1.5A:
3.2.1.176;

The structure of Geotrichum Candidum CEL7A Structure Complex with Cellobiose at 1.5A, PDB code: 4zzw was solved by A.S.Borisova, J.Stahlberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.83 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.640, 81.820, 55.030, 90.00, 109.63, 90.00
R / Rfree (%)	16.1 / 18.5

The binding sites of Magnesium atom in the Geotrichum Candidum CEL7A Structure Complex with Cellobiose at 1.5A (pdb code 4zzw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Geotrichum Candidum CEL7A Structure Complex with Cellobiose at 1.5A, PDB code: 4zzw:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Geotrichum Candidum CEL7A Structure Complex with Cellobiose at 1.5A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Geotrichum Candidum CEL7A Structure Complex with Cellobiose at 1.5A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1439 b:8.2 occ:0.50 OD1 A:ASN206 1.9 14.6 0.5 OD2 A:ASP64 1.9 12.3 1.0 O A:HOH2089 2.4 12.4 1.0 O A:HOH2091 2.5 31.4 1.0 O A:HOH2090 2.6 22.9 1.0 ND2 A:ASN206 2.7 15.6 0.5 C1 A:NAG701 2.8 16.6 0.5 CG A:ASN206 2.9 14.4 0.5 CG A:ASP64 3.1 11.9 1.0 ND2 A:ASN206 3.3 15.7 0.5 N2 A:NAG701 3.4 17.9 0.5 C2 A:NAG701 3.5 17.7 0.5 CG A:ASN206 3.6 14.4 0.5 O5 A:NAG701 3.7 17.4 0.5 C5 A:NAG701 3.9 17.9 0.5 OD1 A:ASP64 3.9 11.8 1.0 O A:HOH2092 3.9 29.8 1.0 C3 A:NAG701 4.0 18.0 0.5 O A:ALA187 4.1 10.7 1.0 CB A:ASP64 4.1 11.7 1.0 OD1 A:ASN188 4.2 10.0 1.0 CB A:ASN206 4.2 13.6 0.5 OD1 A:ASN206 4.3 14.7 0.5 CB A:ASN206 4.3 13.6 0.5 C7 A:NAG701 4.4 18.2 0.5 C4 A:NAG701 4.5 18.4 0.5 O A:HOH2202 4.6 20.2 1.0 CB A:GLN190 4.6 13.3 1.0 CA A:ASN188 4.8 10.6 1.0 N A:ASN206 4.9 13.1 0.5 O A:GLN190 4.9 13.0 1.0 N A:ASN206 4.9 13.1 0.5 C8 A:NAG701 4.9 18.2 0.5

Magnesium binding site 2 out of 2 in the Geotrichum Candidum CEL7A Structure Complex with Cellobiose at 1.5A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Geotrichum Candidum CEL7A Structure Complex with Cellobiose at 1.5A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1440 b:9.6 occ:0.50 O A:HOH2163 1.9 20.2 1.0 O A:HOH2272 2.0 22.5 1.0 O A:HOH2270 2.1 27.3 1.0 ND2 A:ASN283 2.3 11.8 1.0 C4 A:PEG911 3.2 30.7 1.0 C3 A:PEG911 3.4 30.4 1.0 CG A:ASN283 3.6 11.4 1.0 O A:SER134 4.1 8.7 1.0 CA A:ASN283 4.3 10.4 1.0 O2 A:PEG911 4.4 30.0 1.0 CB A:ASN283 4.4 11.0 1.0 OD1 A:ASN283 4.4 12.4 1.0 CB A:PRO276 4.5 8.9 1.0 O4 A:PEG911 4.6 31.4 1.0 O A:HOH2164 4.7 24.9 1.0 N A:ASN283 4.7 9.8 1.0 CG A:PRO276 4.8 8.9 1.0 O A:THR282 4.9 9.0 1.0 CA A:SER134 4.9 8.5 1.0 CB A:SER220 4.9 7.5 1.0 C A:SER134 4.9 8.4 1.0 CB A:SER134 5.0 8.6 1.0

A.S.Borisova, E.V.Eneyskaya, K.S.Bobrov, S.Jana, A.Logachev, D.E.Polev, A.L.Lapidus, F.M.Ibatullin, U.Saleem, M.Sandgren, C.M.Payne, A.A.Kulminskaya, J.Stahlberg. Sequencing, Biochemical Characterization, Crystal Structure and Molecular Dynamics of Cellobiohydrolase CEL7A From Geotrichum Candidum 3C. Febs J. V. 282 4515 2015.
ISSN: ISSN 1742-464X
PubMed: 26367132
DOI: 10.1111/FEBS.13509