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Magnesium in PDB 1k72: The X-Ray Crystal Structure of CEL9G Complexed with Cellotriose

Enzymatic activity of The X-Ray Crystal Structure of CEL9G Complexed with Cellotriose

All present enzymatic activity of The X-Ray Crystal Structure of CEL9G Complexed with Cellotriose:
3.2.1.4;

Protein crystallography data

The structure of The X-Ray Crystal Structure of CEL9G Complexed with Cellotriose, PDB code: 1k72 was solved by D.Mandelman, A.Belaich, J.P.Belaich, N.Aghajari, H.Driguez, R.Haser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.31 / 1.80
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 57.000, 57.600, 86.800, 93.60, 100.80, 99.50
R / Rfree (%) 16.6 / 19.8

Other elements in 1k72:

The structure of The X-Ray Crystal Structure of CEL9G Complexed with Cellotriose also contains other interesting chemical elements:

Calcium (Ca) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The X-Ray Crystal Structure of CEL9G Complexed with Cellotriose (pdb code 1k72). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the The X-Ray Crystal Structure of CEL9G Complexed with Cellotriose, PDB code: 1k72:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 1k72

Go back to Magnesium Binding Sites List in 1k72
Magnesium binding site 1 out of 4 in the The X-Ray Crystal Structure of CEL9G Complexed with Cellotriose


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The X-Ray Crystal Structure of CEL9G Complexed with Cellotriose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg780

b:36.1
occ:1.00
O A:HOH1117 2.1 28.4 1.0
O A:HOH1123 2.2 34.7 1.0
OD1 A:ASP24 2.2 22.8 1.0
O A:HOH816 2.3 16.1 1.0
O A:HOH1124 2.6 37.1 1.0
CG A:ASP24 3.3 20.4 1.0
OD2 A:ASP24 3.6 25.1 1.0
O A:LEU25 3.9 19.1 1.0
OD2 A:ASP36 4.2 20.2 1.0
OD1 A:ASP36 4.4 16.0 1.0
CB A:ASP24 4.6 19.1 1.0
CG A:ASP36 4.7 16.5 1.0
C A:ASP24 4.9 17.3 1.0
C A:LEU25 4.9 19.4 1.0
N A:LEU25 5.0 16.9 1.0
CA A:ASP24 5.0 18.4 1.0

Magnesium binding site 2 out of 4 in 1k72

Go back to Magnesium Binding Sites List in 1k72
Magnesium binding site 2 out of 4 in the The X-Ray Crystal Structure of CEL9G Complexed with Cellotriose


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The X-Ray Crystal Structure of CEL9G Complexed with Cellotriose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg781

b:34.8
occ:1.00
OD2 A:ASP500 2.0 14.9 1.0
O A:HOH1005 2.1 27.5 1.0
O A:HOH886 2.1 16.2 1.0
O A:HOH1119 2.2 21.8 1.0
O A:HOH1030 2.4 28.5 1.0
CG A:ASP500 3.2 14.5 1.0
O A:HOH927 3.4 30.1 1.0
CB A:ASP500 3.9 14.5 1.0
O A:ASN538 4.2 16.6 1.0
O A:HOH1118 4.2 19.5 1.0
OD1 A:ASP500 4.3 13.7 1.0
O A:ASN581 4.4 12.6 1.0

Magnesium binding site 3 out of 4 in 1k72

Go back to Magnesium Binding Sites List in 1k72
Magnesium binding site 3 out of 4 in the The X-Ray Crystal Structure of CEL9G Complexed with Cellotriose


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The X-Ray Crystal Structure of CEL9G Complexed with Cellotriose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg782

b:24.9
occ:1.00
O A:HOH817 2.0 22.5 1.0
O A:HOH1120 2.0 22.6 1.0
O A:HOH1010 2.0 27.5 1.0
O A:HOH787 2.1 28.4 1.0
O A:HOH1121 2.1 23.9 1.0
O4 A:CBI777 2.2 20.6 0.5
O4 A:CBI777 2.2 20.6 0.5
C4 A:CBI777 3.2 20.5 0.5
C4 A:CBI777 3.2 20.5 0.5
O A:HOH790 3.9 13.8 1.0
OE2 A:GLU420 4.0 13.8 1.0
O A:HOH983 4.0 20.0 1.0
O6 A:CBI777 4.1 20.0 0.5
O6 A:CBI777 4.1 20.0 0.5
O3 A:CBI777 4.1 21.2 0.5
O3 A:CBI777 4.1 21.2 0.5
O A:HOH1106 4.1 41.5 1.0
O A:HOH1157 4.1 25.8 1.0
C6 A:CBI777 4.1 20.6 0.5
C6 A:CBI777 4.1 20.6 0.5
C3 A:CBI777 4.3 20.4 0.5
C3 A:CBI777 4.3 20.4 0.5
C5 A:CBI777 4.3 19.8 0.5
C5 A:CBI777 4.3 19.8 0.5
CD A:GLU420 4.7 15.5 1.0
OE1 A:GLU420 4.7 15.6 1.0
O A:HOH1103 4.7 30.3 1.0
OH A:TYR205 4.7 10.2 1.0
CD2 A:TYR204 5.0 13.2 1.0

Magnesium binding site 4 out of 4 in 1k72

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Magnesium binding site 4 out of 4 in the The X-Ray Crystal Structure of CEL9G Complexed with Cellotriose


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of The X-Ray Crystal Structure of CEL9G Complexed with Cellotriose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg617

b:29.1
occ:1.00
O B:HOH979 2.0 21.4 1.0
OD1 B:ASP24 2.1 19.0 1.0
O B:HOH978 2.2 34.2 1.0
O B:HOH727 2.2 23.7 1.0
O B:HOH741 2.3 20.6 1.0
O B:HOH910 2.3 31.6 1.0
CG B:ASP24 3.1 19.0 1.0
OD2 B:ASP24 3.4 22.4 1.0
O B:LEU25 3.8 17.8 1.0
OD2 B:ASP36 4.0 17.3 1.0
OD1 B:ASP36 4.1 15.7 1.0
CB B:ASP24 4.5 16.5 1.0
CG B:ASP36 4.5 16.1 1.0
C B:ASP24 4.7 14.1 1.0
CA B:ASP24 4.8 14.1 1.0
C B:LEU25 4.8 18.8 1.0
N B:LEU25 4.8 14.6 1.0

Reference:

D.Mandelman, A.Belaich, J.P.Belaich, N.Aghajari, H.Driguez, R.Haser. X-Ray Crystal Structure of the Multidomain Endoglucanase CEL9G From Clostridium Cellulolyticum Complexed with Natural and Synthetic Cello-Oligosaccharides J.Bacteriol. V. 185 4127 2003.
ISSN: ISSN 0021-9193
PubMed: 12837787
DOI: 10.1128/JB.185.14.4127-4135.2003
Page generated: Mon Dec 14 06:14:57 2020

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