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Magnesium in PDB 1ga2: The Crystal Structure of Endoglucanase 9G From Clostridium Cellulolyticum Complexed with Cellobiose

Enzymatic activity of The Crystal Structure of Endoglucanase 9G From Clostridium Cellulolyticum Complexed with Cellobiose

All present enzymatic activity of The Crystal Structure of Endoglucanase 9G From Clostridium Cellulolyticum Complexed with Cellobiose:
3.2.1.4;

Protein crystallography data

The structure of The Crystal Structure of Endoglucanase 9G From Clostridium Cellulolyticum Complexed with Cellobiose, PDB code: 1ga2 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) 43.54 / 1.70
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 56.850, 57.670, 86.580, 93.82, 100.86, 99.46
R / Rfree (%) 17 / 19.7

Other elements in 1ga2:

The structure of The Crystal Structure of Endoglucanase 9G From Clostridium Cellulolyticum Complexed with Cellobiose also contains other interesting chemical elements:

Calcium (Ca) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The Crystal Structure of Endoglucanase 9G From Clostridium Cellulolyticum Complexed with Cellobiose (pdb code 1ga2). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 7 binding sites of Magnesium where determined in the The Crystal Structure of Endoglucanase 9G From Clostridium Cellulolyticum Complexed with Cellobiose, PDB code: 1ga2:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7;

Magnesium binding site 1 out of 7 in 1ga2

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Magnesium binding site 1 out of 7 in the The Crystal Structure of Endoglucanase 9G From Clostridium Cellulolyticum Complexed with Cellobiose


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Crystal Structure of Endoglucanase 9G From Clostridium Cellulolyticum Complexed with Cellobiose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg782

b:27.0
occ:1.00
 O A:HOH1184 2.0 22.0 1.0
O A:HOH1183 2.0 31.4 1.0
O A:HOH1182 2.1 28.3 1.0
NE2 A:HIS371 2.2 18.9 1.0
O B:HOH1015 2.2 33.1 1.0
CE1 A:HIS371 3.2 21.4 1.0
CD2 A:HIS371 3.2 19.4 1.0
O B:HOH1142 3.9 27.0 1.0
O B:HOH933 4.1 28.1 1.0
NZ B:LYS337 4.1 16.1 1.0
O B:HOH1071 4.2 30.1 1.0
ND1 A:HIS371 4.3 17.6 1.0
CG A:HIS371 4.3 16.3 1.0
O B:HOH1141 4.5 31.6 1.0
O B:HOH1061 4.6 24.7 1.0
O A:HOH1108 4.6 21.5 1.0
O2 A:GOL788 4.6 30.6 1.0
O A:THR389 4.9 19.9 1.0

Magnesium binding site 2 out of 7 in 1ga2

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Magnesium binding site 2 out of 7 in the The Crystal Structure of Endoglucanase 9G From Clostridium Cellulolyticum Complexed with Cellobiose


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Crystal Structure of Endoglucanase 9G From Clostridium Cellulolyticum Complexed with Cellobiose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg783

b:28.0
occ:1.00
 OD2 A:ASP500 2.0 13.9 1.0
O A:HOH975 2.1 24.7 1.0
O A:HOH920 2.1 21.8 1.0
O A:HOH1120 2.2 22.5 1.0
O A:HOH953 2.2 18.3 1.0
O A:HOH1122 2.3 32.2 1.0
CG A:ASP500 3.1 13.8 1.0
CB A:ASP500 3.7 12.9 1.0
O A:HOH1121 4.1 22.3 1.0
O A:ASN581 4.1 13.9 1.0
OD1 A:ASP500 4.2 15.1 1.0
O A:ASN538 4.3 15.0 1.0
O A:HOH1123 4.3 30.4 1.0
CB A:ASN581 4.8 13.3 1.0
CA A:ASP500 5.0 12.0 1.0

Magnesium binding site 3 out of 7 in 1ga2

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Magnesium binding site 3 out of 7 in the The Crystal Structure of Endoglucanase 9G From Clostridium Cellulolyticum Complexed with Cellobiose


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Crystal Structure of Endoglucanase 9G From Clostridium Cellulolyticum Complexed with Cellobiose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg784

b:32.3
occ:1.00
 O A:HOH1149 2.0 30.3 1.0
OD1 A:ASP24 2.1 19.6 1.0
O A:HOH1148 2.2 37.5 1.0
O A:HOH967 2.4 29.9 1.0
O A:HOH859 2.5 18.3 1.0
CG A:ASP24 3.1 20.7 1.0
OD2 A:ASP24 3.4 25.2 1.0
O A:LEU25 3.8 19.1 1.0
OD2 A:ASP36 4.2 18.9 1.0
OD1 A:ASP36 4.3 18.0 1.0
CB A:ASP24 4.5 17.6 1.0
CG A:ASP36 4.7 17.3 1.0
C A:ASP24 4.8 15.2 1.0
CA A:ASP24 4.9 16.7 1.0
N A:LEU25 4.9 15.5 1.0
C A:LEU25 4.9 17.5 1.0

Magnesium binding site 4 out of 7 in 1ga2

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Magnesium binding site 4 out of 7 in the The Crystal Structure of Endoglucanase 9G From Clostridium Cellulolyticum Complexed with Cellobiose


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of The Crystal Structure of Endoglucanase 9G From Clostridium Cellulolyticum Complexed with Cellobiose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg785

b:20.4
occ:1.00
 O A:HOH1142 2.0 20.9 1.0
O A:HOH1141 2.0 18.6 1.0
O A:HOH1151 2.0 20.3 1.0
O A:HOH1143 2.1 19.9 1.0
O A:HOH1140 2.1 20.4 1.0
O4 A:BGC778 2.2 18.2 1.0
C4 A:BGC778 3.1 18.7 1.0
O1 A:BGC777 3.6 38.1 1.0
O A:HOH1145 3.9 29.0 1.0
OE1 A:GLU420 4.0 13.1 1.0
O3 A:BGC778 4.0 20.1 1.0
O A:HOH1144 4.0 12.9 1.0
O A:HOH1147 4.1 18.6 1.0
O6 A:BGC778 4.1 18.9 1.0
O A:HOH1146 4.1 19.7 1.0
C6 A:BGC778 4.2 20.9 1.0
C3 A:BGC778 4.2 20.4 1.0
C5 A:BGC778 4.2 19.1 1.0
OE2 A:GLU420 4.5 15.1 1.0
CD A:GLU420 4.6 16.0 1.0
O A:HOH1071 4.6 26.4 1.0
OH A:TYR205 4.6 11.7 1.0
O5 A:BGC777 4.7 36.4 1.0
C1 A:BGC777 4.7 33.8 1.0

Magnesium binding site 5 out of 7 in 1ga2

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Magnesium binding site 5 out of 7 in the The Crystal Structure of Endoglucanase 9G From Clostridium Cellulolyticum Complexed with Cellobiose


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of The Crystal Structure of Endoglucanase 9G From Clostridium Cellulolyticum Complexed with Cellobiose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg784

b:17.9
occ:1.00
 O B:HOH1020 2.0 19.5 1.0
O B:HOH1134 2.1 21.4 1.0
O B:HOH938 2.2 16.3 1.0
O B:HOH861 2.2 16.3 1.0
O B:HOH905 2.2 19.6 1.0
NE2 B:HIS371 2.2 12.3 1.0
CD2 B:HIS371 3.1 13.6 1.0
CE1 B:HIS371 3.2 15.3 1.0
O B:HOH1133 4.2 26.9 1.0
O B:HOH944 4.2 22.4 1.0
ND1 B:HIS371 4.3 12.0 1.0
CG B:HIS371 4.3 11.0 1.0
O2 B:GOL787 4.4 22.9 1.0
O B:HOH1122 4.4 36.4 1.0
O B:HOH1135 4.4 26.6 1.0
O B:ASP411 4.8 15.2 1.0
CB B:GLN370 4.8 12.0 1.0
O B:HOH907 4.9 21.2 1.0
C1 B:GOL787 5.0 24.3 1.0

Magnesium binding site 6 out of 7 in 1ga2

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Magnesium binding site 6 out of 7 in the The Crystal Structure of Endoglucanase 9G From Clostridium Cellulolyticum Complexed with Cellobiose


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of The Crystal Structure of Endoglucanase 9G From Clostridium Cellulolyticum Complexed with Cellobiose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg785

b:23.7
occ:1.00
 O B:HOH856 2.0 26.6 1.0
O B:HOH1138 2.0 23.2 1.0
OD1 B:ASP24 2.0 19.4 1.0
O B:HOH940 2.1 25.3 1.0
O B:HOH857 2.1 20.3 1.0
O B:HOH872 2.3 20.3 1.0
CG B:ASP24 3.0 20.6 1.0
OD2 B:ASP24 3.3 24.5 1.0
O B:LEU25 3.8 17.4 1.0
OD2 B:ASP36 4.0 17.3 1.0
OD1 B:ASP36 4.1 14.1 1.0
CB B:ASP24 4.4 17.3 1.0
CG B:ASP36 4.5 15.3 1.0
C B:ASP24 4.7 13.6 1.0
CA B:ASP24 4.7 13.8 1.0
N B:LEU25 4.8 15.3 1.0
C B:LEU25 4.9 18.2 1.0

Magnesium binding site 7 out of 7 in 1ga2

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Magnesium binding site 7 out of 7 in the The Crystal Structure of Endoglucanase 9G From Clostridium Cellulolyticum Complexed with Cellobiose


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of The Crystal Structure of Endoglucanase 9G From Clostridium Cellulolyticum Complexed with Cellobiose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg786

b:25.7
occ:1.00
 O B:HOH999 2.1 27.1 1.0
O B:HOH1139 2.1 28.0 1.0
O B:GLU79 2.1 12.0 1.0
O B:HOH1143 2.2 32.2 1.0
O B:HOH979 2.2 26.6 1.0
O B:HOH1012 2.4 20.9 1.0
C B:GLU79 3.3 13.0 1.0
OD1 B:ASP80 3.6 14.4 1.0
CA B:ASP80 4.0 14.5 1.0
OD2 B:ASP82 4.0 23.3 1.0
NZ B:LYS438 4.1 22.3 1.0
N B:ASP80 4.1 13.7 1.0
O B:HOH843 4.1 15.6 1.0
O B:HOH998 4.3 26.1 1.0
CA B:GLU79 4.4 13.4 1.0
OE1 B:GLU329 4.4 31.6 1.0
CG B:ASP80 4.4 16.5 1.0
O B:HOH810 4.5 13.5 1.0
O B:HOH920 4.6 26.6 1.0
NZ B:LYS435 4.6 14.0 1.0
CB B:ASP80 4.8 15.2 1.0
CG B:ASP82 4.8 21.6 1.0
C B:ASP80 5.0 15.2 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: Tue Aug 13 03:43:22 2024

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