Magnesium in PDB 4qi7: Cellobiose Dehydrogenase From Neurospora Crassa, Nccdh

The structure of Cellobiose Dehydrogenase From Neurospora Crassa, Nccdh, PDB code: 4qi7 was solved by T.C.Tan, R.Gandini, C.Sygmund, R.Kittl, D.Haltrich, R.Ludwig, B.M.Hallberg, C.Divne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.04 / 2.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	133.599, 141.851, 146.998, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 23.5

The structure of Cellobiose Dehydrogenase From Neurospora Crassa, Nccdh also contains other interesting chemical elements:

Platinum	(Pt)	20 atoms
Iron	(Fe)	2 atoms

The binding sites of Magnesium atom in the Cellobiose Dehydrogenase From Neurospora Crassa, Nccdh (pdb code 4qi7). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Cellobiose Dehydrogenase From Neurospora Crassa, Nccdh, PDB code: 4qi7:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Cellobiose Dehydrogenase From Neurospora Crassa, Nccdh


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cellobiose Dehydrogenase From Neurospora Crassa, Nccdh within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg924 b:73.8 occ:1.00 O4 A:FAD902 3.2 0.8 1.0 CD1 A:LEU324 3.9 37.3 1.0 ND2 A:ASN747 4.0 49.6 1.0 C4 A:FAD902 4.1 0.3 1.0 OH A:TYR618 4.4 84.4 1.0 CB A:ALA322 4.6 39.6 1.0 N5 A:FAD902 4.7 91.4 1.0 CG A:LEU324 4.8 52.5 1.0 C4X A:FAD902 4.8 86.6 1.0 CG A:ASN747 4.9 64.3 1.0 N3 A:FAD902 4.9 0.1 1.0

Magnesium binding site 2 out of 4 in the Cellobiose Dehydrogenase From Neurospora Crassa, Nccdh


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Cellobiose Dehydrogenase From Neurospora Crassa, Nccdh within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg925 b:54.4 occ:1.00 CG1 A:VAL638 4.5 32.9 1.0 CB A:SER632 4.5 49.0 1.0

Magnesium binding site 3 out of 4 in the Cellobiose Dehydrogenase From Neurospora Crassa, Nccdh


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Cellobiose Dehydrogenase From Neurospora Crassa, Nccdh within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg926 b:56.4 occ:1.00 O A:ASP177 2.9 0.8 1.0 CE A:MET180 3.9 0.8 1.0 C A:ASP177 4.0 0.3 1.0 CA A:GLY179 4.3 90.4 1.0 N A:GLY179 4.3 90.3 1.0 O A:HIS176 4.4 0.0 1.0 CA A:ASP177 4.7 0.3 1.0 C A:GLY179 4.8 93.5 1.0 C A:ASN178 4.9 0.0 1.0

Magnesium binding site 4 out of 4 in the Cellobiose Dehydrogenase From Neurospora Crassa, Nccdh


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Cellobiose Dehydrogenase From Neurospora Crassa, Nccdh within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg919 b:54.6 occ:1.00 OG1 B:THR634 3.0 59.0 1.0 OG B:SER632 3.8 50.7 1.0 ND2 B:ASN636 3.9 72.6 1.0 CB B:SER632 4.1 43.1 1.0 CD B:PRO633 4.1 48.8 1.0 N B:THR634 4.3 49.1 1.0 CB B:THR634 4.4 49.7 1.0 N B:PRO633 4.6 41.7 1.0 CG2 B:THR634 4.9 48.1 1.0 CA B:THR634 5.0 50.3 1.0

T.C.Tan, D.Kracher, R.Gandini, C.Sygmund, R.Kittl, D.Haltrich, B.M.Hallberg, R.Ludwig, C.Divne. Structural Basis For Cellobiose Dehydrogenase Action During Oxidative Cellulose Degradation. Nat Commun V. 6 7542 2015.
ISSN: ESSN 2041-1723
PubMed: 26151670
DOI: 10.1038/NCOMMS8542