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Magnesium in PDB 1kfg: The X-Ray Crystal Structure of CEL9G From Clostridium Cellulolyticum Complexed with A Thio-Oligosaccharide Inhibitor

Enzymatic activity of The X-Ray Crystal Structure of CEL9G From Clostridium Cellulolyticum Complexed with A Thio-Oligosaccharide Inhibitor

All present enzymatic activity of The X-Ray Crystal Structure of CEL9G From Clostridium Cellulolyticum Complexed with A Thio-Oligosaccharide Inhibitor:
3.2.1.4;

Protein crystallography data

The structure of The X-Ray Crystal Structure of CEL9G From Clostridium Cellulolyticum Complexed with A Thio-Oligosaccharide Inhibitor, PDB code: 1kfg was solved by D.Mandelman, A.Belaich, J.-P.Belaich, H.Driguez, R.Haser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.42 / 1.90
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 57.040, 57.730, 86.630, 93.86, 100.83, 99.54
R / Rfree (%) 16.7 / 20.4

Other elements in 1kfg:

The structure of The X-Ray Crystal Structure of CEL9G From Clostridium Cellulolyticum Complexed with A Thio-Oligosaccharide Inhibitor also contains other interesting chemical elements:

Nickel (Ni) 1 atom
Calcium (Ca) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The X-Ray Crystal Structure of CEL9G From Clostridium Cellulolyticum Complexed with A Thio-Oligosaccharide Inhibitor (pdb code 1kfg). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the The X-Ray Crystal Structure of CEL9G From Clostridium Cellulolyticum Complexed with A Thio-Oligosaccharide Inhibitor, PDB code: 1kfg:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in 1kfg

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Magnesium binding site 1 out of 5 in the The X-Ray Crystal Structure of CEL9G From Clostridium Cellulolyticum Complexed with A Thio-Oligosaccharide Inhibitor


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 From Clostridium Cellulolyticum Complexed with A Thio-Oligosaccharide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg9019

b:63.7
occ:1.00
 NE2 A:HIS371 2.4 17.5 1.0
CD2 A:HIS371 3.2 18.2 1.0
O A:HOH9325 3.4 37.1 1.0
CE1 A:HIS371 3.4 18.7 1.0
O B:HOH9254 3.9 27.6 1.0
O B:HOH9360 3.9 37.9 1.0
O B:HOH9262 4.0 33.6 1.0
CG A:HIS371 4.4 16.3 1.0
O B:HOH9331 4.4 30.3 1.0
NZ B:LYS337 4.5 14.7 1.0
ND1 A:HIS371 4.5 15.8 1.0
O B:HOH9347 4.5 27.5 1.0
O A:HOH9142 4.6 19.9 1.0
OD1 B:ASP280 4.9 19.0 1.0
CB A:GLN370 5.0 21.2 1.0

Magnesium binding site 2 out of 5 in 1kfg

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Magnesium binding site 2 out of 5 in the The X-Ray Crystal Structure of CEL9G From Clostridium Cellulolyticum Complexed with A Thio-Oligosaccharide Inhibitor


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 From Clostridium Cellulolyticum Complexed with A Thio-Oligosaccharide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg9020

b:32.7
occ:1.00
 O A:HOH9328 2.0 21.9 1.0
OD2 A:ASP500 2.1 15.8 1.0
O A:HOH9155 2.2 26.9 1.0
O A:HOH9190 2.2 18.1 1.0
O A:HOH9326 2.3 25.3 1.0
CG A:ASP500 3.2 13.4 1.0
CB A:ASP500 3.8 13.7 1.0
O A:HOH9327 4.1 21.6 1.0
O A:ASN581 4.1 16.0 1.0
OD1 A:ASP500 4.3 14.8 1.0
O A:ASN538 4.4 16.7 1.0
CB A:ASN581 4.8 16.0 1.0

Magnesium binding site 3 out of 5 in 1kfg

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Magnesium binding site 3 out of 5 in the The X-Ray Crystal Structure of CEL9G From Clostridium Cellulolyticum Complexed with A Thio-Oligosaccharide Inhibitor


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 From Clostridium Cellulolyticum Complexed with A Thio-Oligosaccharide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg9022

b:35.4
occ:1.00
 O A:HOH9331 2.0 27.8 1.0
O A:HOH9332 2.1 40.7 1.0
O A:HOH9333 2.2 37.4 1.0
OD2 A:ASP24 2.3 22.3 1.0
O A:HOH9108 2.4 20.9 1.0
CG A:ASP24 3.2 21.4 1.0
OD1 A:ASP24 3.4 25.7 1.0
O A:LEU25 3.9 18.1 1.0
OD2 A:ASP36 4.3 18.4 1.0
OD1 A:ASP36 4.4 16.5 1.0
CB A:ASP24 4.6 17.1 1.0
CG A:ASP36 4.8 17.6 1.0
C A:ASP24 4.9 15.3 1.0
C A:LEU25 5.0 18.6 1.0
CA A:ASP24 5.0 16.6 1.0

Magnesium binding site 4 out of 5 in 1kfg

Go back to Magnesium Binding Sites List in 1kfg
Magnesium binding site 4 out of 5 in the The X-Ray Crystal Structure of CEL9G From Clostridium Cellulolyticum Complexed with A Thio-Oligosaccharide Inhibitor


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 From Clostridium Cellulolyticum Complexed with A Thio-Oligosaccharide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg9021

b:25.8
occ:1.00
 O B:HOH9373 2.0 22.6 1.0
O B:HOH9374 2.0 28.3 1.0
O B:HOH9139 2.1 21.2 1.0
O B:HOH9365 2.1 22.1 1.0
OD2 B:ASP24 2.1 19.1 1.0
O B:HOH9136 2.2 19.1 1.0
CG B:ASP24 3.1 18.9 1.0
OD1 B:ASP24 3.3 23.2 1.0
O B:LEU25 3.9 15.9 1.0
OD2 B:ASP36 4.1 18.9 1.0
OD1 B:ASP36 4.2 14.4 1.0
CB B:ASP24 4.4 15.8 1.0
CG B:ASP36 4.6 17.2 1.0
C B:ASP24 4.8 13.5 1.0
CA B:ASP24 4.8 13.8 1.0
N B:LEU25 4.9 14.4 1.0
C B:LEU25 4.9 16.2 1.0

Magnesium binding site 5 out of 5 in 1kfg

Go back to Magnesium Binding Sites List in 1kfg
Magnesium binding site 5 out of 5 in the The X-Ray Crystal Structure of CEL9G From Clostridium Cellulolyticum Complexed with A Thio-Oligosaccharide Inhibitor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of The X-Ray Crystal Structure of CEL9G From Clostridium Cellulolyticum Complexed with A Thio-Oligosaccharide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg9023

b:31.0
occ:1.00
 O B:GLU79 2.1 14.6 1.0
O B:HOH9168 2.2 26.1 1.0
O B:HOH9163 2.2 25.1 1.0
O B:HOH9236 2.5 19.5 1.0
C B:GLU79 3.3 14.9 1.0
OD1 B:ASP80 3.8 14.3 1.0
CA B:ASP80 4.0 15.5 1.0
OD2 B:ASP82 4.0 21.4 1.0
O B:HOH9104 4.1 17.3 1.0
N B:ASP80 4.1 14.5 1.0
NZ B:LYS438 4.1 26.5 1.0
O B:HOH9217 4.3 25.8 1.0
CA B:GLU79 4.3 13.6 1.0
CG B:ASP80 4.5 16.8 1.0
O B:HOH9038 4.6 10.5 1.0
CG B:ASP82 4.8 19.1 1.0
O B:HOH9117 4.8 21.1 1.0
CB B:ASP80 4.8 14.1 1.0
OE2 B:GLU329 4.9 30.8 1.0
C B:ASP80 4.9 15.7 1.0

Reference:

D.Mandelman, A.Belaich, J.-P.Belaich, N.Aghajari, H.Driguez, R.Haser. The X-Ray Crystal Structure of the Multidomain Endoglucanase CEL9G From Clostridium Cellulolyticum Complexed with Natural and Synthetic Cello-Olligosaccharides J.Bacteriol. V. 185 4127 2003.
ISSN: ISSN 0021-9193
PubMed: 12837787
DOI: 10.1128/JB.185.14.4127-4135.2003
Page generated: Tue Aug 13 07:42:04 2024

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