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

Protein crystallography data

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

Other elements in 4qi7:

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

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

Magnesium Binding Sites:

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 4qi7

Go back to Magnesium Binding Sites List in 4qi7
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 4qi7

Go back to Magnesium Binding Sites List in 4qi7
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 4qi7

Go back to Magnesium Binding Sites List in 4qi7
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 4qi7

Go back to Magnesium Binding Sites List in 4qi7
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

Reference:

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
Page generated: Mon Dec 14 19:23:06 2020

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