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Magnesium in PDB 7cll: Mycobacterium Tubeculosis Enolase in Complex with 2-Phosphoglycerate

Enzymatic activity of Mycobacterium Tubeculosis Enolase in Complex with 2-Phosphoglycerate

All present enzymatic activity of Mycobacterium Tubeculosis Enolase in Complex with 2-Phosphoglycerate:
4.2.1.11;

Protein crystallography data

The structure of Mycobacterium Tubeculosis Enolase in Complex with 2-Phosphoglycerate, PDB code: 7cll was solved by B.K.Biswal, M.Ahmad, B.Jha, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.38 / 1.99
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 97.697, 197.317, 200.553, 90, 90, 90
R / Rfree (%) 17.5 / 22.1

Other elements in 7cll:

The structure of Mycobacterium Tubeculosis Enolase in Complex with 2-Phosphoglycerate also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Mycobacterium Tubeculosis Enolase in Complex with 2-Phosphoglycerate (pdb code 7cll). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the Mycobacterium Tubeculosis Enolase in Complex with 2-Phosphoglycerate, PDB code: 7cll:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in 7cll

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Magnesium binding site 1 out of 8 in the Mycobacterium Tubeculosis Enolase in Complex with 2-Phosphoglycerate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Mycobacterium Tubeculosis Enolase in Complex with 2-Phosphoglycerate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg501

b:39.6
occ:1.00
 O3P A:2PG503 2.0 33.4 1.0
O A:HOH602 2.1 41.6 1.0
OG A:SER42 2.1 35.7 1.0
O A:HOH712 2.1 31.7 1.0
O1 A:2PG503 2.2 30.9 1.0
O A:SER42 2.4 38.7 1.0
C1 A:2PG503 3.1 30.6 1.0
CB A:SER42 3.1 36.8 1.0
P A:2PG503 3.2 30.1 1.0
C A:SER42 3.2 36.9 1.0
O1P A:2PG503 3.4 28.9 1.0
CA A:SER42 3.6 37.1 1.0
NZ A:LYS335 3.7 25.1 1.0
C2 A:2PG503 3.7 31.4 1.0
OD2 A:ASP310 3.8 28.0 1.0
O2P A:2PG503 3.8 27.6 1.0
MG A:MG502 3.9 35.7 1.0
O2 A:2PG503 4.0 28.1 1.0
N A:SER42 4.2 36.6 1.0
NE2 A:GLN162 4.2 37.2 1.0
OD1 A:ASP311 4.2 41.2 1.0
OE1 A:GLN162 4.2 39.5 1.0
OD2 A:ASP311 4.3 38.3 1.0
O A:HOH740 4.3 35.9 1.0
N A:THR43 4.4 36.7 1.0
O4P A:2PG503 4.4 27.0 1.0
NH2 A:ARG364 4.5 27.2 1.0
CG A:ASP311 4.7 38.9 1.0
CD A:GLN162 4.7 39.4 1.0
CG A:ASP310 4.9 28.0 1.0
CA A:THR43 4.9 37.9 1.0

Magnesium binding site 2 out of 8 in 7cll

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Magnesium binding site 2 out of 8 in the Mycobacterium Tubeculosis Enolase in Complex with 2-Phosphoglycerate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Mycobacterium Tubeculosis Enolase in Complex with 2-Phosphoglycerate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:35.7
occ:1.00
 OD2 A:ASP310 2.1 28.0 1.0
O A:HOH740 2.2 35.9 1.0
O2 A:2PG503 2.3 28.1 1.0
OE2 A:GLU283 2.5 34.0 1.0
OD2 A:ASP241 2.5 43.0 1.0
O1 A:2PG503 2.6 30.9 1.0
C1 A:2PG503 2.8 30.6 1.0
CG A:ASP310 3.1 28.0 1.0
CG A:ASP241 3.4 43.6 1.0
CD A:GLU283 3.4 35.5 1.0
CB A:ASP310 3.5 28.8 1.0
OD1 A:ASP241 3.6 43.5 1.0
O A:HOH712 3.6 31.7 1.0
O A:HOH602 3.7 41.6 1.0
NZ A:LYS386 3.8 26.7 1.0
MG A:MG501 3.9 39.6 1.0
NZ A:LYS335 3.9 25.1 1.0
OE1 A:GLU283 4.1 34.2 1.0
OD1 A:ASP310 4.2 24.3 1.0
CG A:GLU283 4.2 33.9 1.0
NE2 A:GLN162 4.2 37.2 1.0
CD2 A:LEU333 4.2 31.1 1.0
OD2 A:ASP284 4.3 44.5 1.0
C2 A:2PG503 4.3 31.4 1.0
CB A:ASP241 4.7 40.1 1.0
CE A:LYS335 4.9 25.1 1.0
OE2 A:GLU163 4.9 32.6 1.0
CG A:ASP284 4.9 41.6 1.0
CE A:LYS386 4.9 26.5 1.0
CB A:ALA243 5.0 41.5 1.0

Magnesium binding site 3 out of 8 in 7cll

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Magnesium binding site 3 out of 8 in the Mycobacterium Tubeculosis Enolase in Complex with 2-Phosphoglycerate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Mycobacterium Tubeculosis Enolase in Complex with 2-Phosphoglycerate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg501

b:33.5
occ:1.00
 O2P B:2PG503 2.1 28.1 1.0
O B:HOH643 2.1 26.0 1.0
O B:SER42 2.1 36.4 1.0
OG B:SER42 2.2 35.3 1.0
O1 B:2PG503 2.4 33.8 1.0
O B:HOH625 2.4 27.1 1.0
CB B:SER42 3.0 33.5 1.0
C B:SER42 3.1 34.3 1.0
P B:2PG503 3.3 27.4 1.0
C1 B:2PG503 3.3 30.3 1.0
CA B:SER42 3.4 36.5 1.0
O1P B:2PG503 3.5 27.4 1.0
C2 B:2PG503 3.8 30.3 1.0
OD2 B:ASP310 3.9 23.9 1.0
O3P B:2PG503 3.9 25.2 1.0
NZ B:LYS335 4.0 21.7 1.0
N B:SER42 4.0 34.8 1.0
MG B:MG502 4.1 28.2 1.0
OD1 B:ASP311 4.1 32.1 1.0
OD2 B:ASP311 4.1 32.1 1.0
NE2 B:GLN162 4.2 25.7 1.0
O2 B:2PG503 4.2 34.0 1.0
OE1 B:GLN162 4.2 32.1 1.0
N B:THR43 4.3 35.5 1.0
NH2 B:ARG364 4.3 25.5 1.0
O B:HOH664 4.3 28.1 1.0
O4P B:2PG503 4.5 27.9 1.0
CG B:ASP311 4.6 30.5 1.0
CD B:GLN162 4.7 29.5 1.0
CA B:THR43 4.8 38.0 1.0
CG B:ASP310 5.0 22.7 1.0

Magnesium binding site 4 out of 8 in 7cll

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Magnesium binding site 4 out of 8 in the Mycobacterium Tubeculosis Enolase in Complex with 2-Phosphoglycerate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Mycobacterium Tubeculosis Enolase in Complex with 2-Phosphoglycerate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg502

b:28.2
occ:1.00
 O B:HOH664 2.1 28.1 1.0
OD2 B:ASP310 2.1 23.9 1.0
OE2 B:GLU283 2.2 29.5 1.0
OD2 B:ASP241 2.4 31.5 1.0
O2 B:2PG503 2.5 34.0 1.0
O1 B:2PG503 2.6 33.8 1.0
C1 B:2PG503 3.0 30.3 1.0
CG B:ASP241 3.1 29.9 1.0
CG B:ASP310 3.1 22.7 1.0
OD1 B:ASP241 3.1 34.0 1.0
CD B:GLU283 3.3 27.1 1.0
CB B:ASP310 3.5 22.1 1.0
O B:HOH643 3.7 26.0 1.0
NZ B:LYS386 3.9 26.8 1.0
CG B:GLU283 4.0 25.0 1.0
OD2 B:ASP284 4.0 27.8 1.0
MG B:MG501 4.1 33.5 1.0
OD1 B:ASP310 4.1 24.6 1.0
NZ B:LYS335 4.1 21.7 1.0
OE1 B:GLU283 4.2 22.7 1.0
O B:HOH625 4.2 27.1 1.0
OE1 B:GLN162 4.3 32.1 1.0
CD2 B:LEU333 4.4 22.9 1.0
C2 B:2PG503 4.5 30.3 1.0
CB B:ASP241 4.5 26.9 1.0
CG B:ASP284 4.8 28.4 1.0
OE2 B:GLU163 4.8 30.6 1.0
CB B:ALA243 4.9 29.6 1.0

Magnesium binding site 5 out of 8 in 7cll

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Magnesium binding site 5 out of 8 in the Mycobacterium Tubeculosis Enolase in Complex with 2-Phosphoglycerate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Mycobacterium Tubeculosis Enolase in Complex with 2-Phosphoglycerate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg501

b:25.4
occ:1.00
 OD2 C:ASP310 2.2 20.6 1.0
O C:HOH643 2.2 20.1 1.0
OE2 C:GLU283 2.3 20.2 1.0
OD2 C:ASP241 2.4 21.4 1.0
O1 C:2PG503 2.4 20.7 1.0
O2 C:2PG503 2.5 15.8 1.0
C1 C:2PG503 2.8 17.8 1.0
CG C:ASP241 3.1 21.1 1.0
OD1 C:ASP241 3.1 20.3 1.0
CG C:ASP310 3.2 20.6 1.0
CD C:GLU283 3.3 18.0 1.0
O C:HOH686 3.6 17.7 1.0
CB C:ASP310 3.6 18.5 1.0
MG C:MG502 3.8 20.9 1.0
NZ C:LYS386 3.9 17.1 1.0
NZ C:LYS335 4.0 16.8 1.0
OE1 C:GLU283 4.0 16.1 1.0
O C:HOH644 4.0 21.0 1.0
OD2 C:ASP284 4.1 18.1 1.0
CG C:GLU283 4.1 17.3 1.0
NE2 C:GLN162 4.3 13.2 1.0
OD1 C:ASP310 4.3 19.7 1.0
C2 C:2PG503 4.3 18.3 1.0
CD2 C:LEU333 4.4 14.8 1.0
CB C:ASP241 4.5 18.3 1.0
OE2 C:GLU163 4.7 17.9 1.0
CG C:ASP284 4.7 18.3 1.0
CB C:ALA243 4.9 17.7 1.0

Magnesium binding site 6 out of 8 in 7cll

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Magnesium binding site 6 out of 8 in the Mycobacterium Tubeculosis Enolase in Complex with 2-Phosphoglycerate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Mycobacterium Tubeculosis Enolase in Complex with 2-Phosphoglycerate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg502

b:20.9
occ:1.00
 O C:HOH686 1.9 17.7 1.0
O2 C:2PG503 2.2 15.8 1.0
O C:SER42 2.2 17.5 1.0
OG C:SER42 2.3 18.3 1.0
O3P C:2PG503 2.3 18.1 1.0
O C:HOH644 2.3 21.0 1.0
C1 C:2PG503 3.1 17.8 1.0
CB C:SER42 3.2 19.0 1.0
C C:SER42 3.3 21.9 1.0
P C:2PG503 3.4 16.5 1.0
O1P C:2PG503 3.6 16.2 1.0
OD2 C:ASP310 3.7 20.6 1.0
CA C:SER42 3.7 21.0 1.0
C2 C:2PG503 3.8 18.3 1.0
MG C:MG501 3.8 25.4 1.0
NZ C:LYS335 3.9 16.8 1.0
O1 C:2PG503 4.0 20.7 1.0
O4P C:2PG503 4.0 15.6 1.0
OD2 C:ASP311 4.0 21.4 1.0
O C:HOH643 4.1 20.1 1.0
NE2 C:GLN162 4.1 13.2 1.0
OE1 C:GLN162 4.1 16.8 1.0
OD1 C:ASP311 4.2 19.5 1.0
N C:SER42 4.3 21.0 1.0
NH2 C:ARG364 4.4 18.2 1.0
N C:THR43 4.5 24.1 1.0
CG C:ASP311 4.5 19.9 1.0
CD C:GLN162 4.6 15.3 1.0
O2P C:2PG503 4.7 19.2 1.0
CG C:ASP310 4.9 20.6 1.0
CB C:ALA243 5.0 17.7 1.0

Magnesium binding site 7 out of 8 in 7cll

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Magnesium binding site 7 out of 8 in the Mycobacterium Tubeculosis Enolase in Complex with 2-Phosphoglycerate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Mycobacterium Tubeculosis Enolase in Complex with 2-Phosphoglycerate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg501

b:28.0
occ:1.00
 O2P D:2PG503 2.1 21.0 1.0
O D:HOH802 2.1 24.4 1.0
OG D:SER42 2.2 20.1 1.0
O D:SER42 2.3 25.3 1.0
O2 D:2PG503 2.3 17.2 1.0
O D:HOH622 2.4 29.1 1.0
CB D:SER42 3.1 21.4 1.0
C D:SER42 3.1 28.3 1.0
P D:2PG503 3.2 21.1 1.0
C1 D:2PG503 3.2 19.1 1.0
O1P D:2PG503 3.3 18.0 1.0
CA D:SER42 3.5 25.4 1.0
C2 D:2PG503 3.7 20.8 1.0
O3P D:2PG503 3.8 18.9 1.0
NZ D:LYS335 3.9 19.2 1.0
OD2 D:ASP310 4.0 21.5 1.0
N D:SER42 4.1 24.9 1.0
MG D:MG502 4.1 19.2 1.0
NE2 D:GLN162 4.1 19.5 1.0
NH2 D:ARG364 4.1 19.0 1.0
OD1 D:ASP311 4.2 24.7 1.0
O1 D:2PG503 4.2 19.3 1.0
OE1 D:GLN162 4.3 23.9 1.0
N D:THR43 4.3 28.4 1.0
OD2 D:ASP311 4.3 25.1 1.0
O D:HOH669 4.3 17.4 1.0
O4P D:2PG503 4.4 17.9 1.0
CG D:ASP311 4.7 24.6 1.0
CD D:GLN162 4.7 21.9 1.0
CA D:THR43 4.8 28.7 1.0

Magnesium binding site 8 out of 8 in 7cll

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Magnesium binding site 8 out of 8 in the Mycobacterium Tubeculosis Enolase in Complex with 2-Phosphoglycerate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Mycobacterium Tubeculosis Enolase in Complex with 2-Phosphoglycerate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg502

b:19.2
occ:1.00
 O1 D:2PG503 2.1 19.3 1.0
O D:HOH669 2.2 17.4 1.0
OD2 D:ASP310 2.2 21.5 1.0
OE2 D:GLU283 2.2 19.3 1.0
OD2 D:ASP241 2.4 22.6 1.0
O2 D:2PG503 2.5 17.2 1.0
C1 D:2PG503 2.7 19.1 1.0
CG D:ASP241 3.2 20.4 1.0
CG D:ASP310 3.2 20.4 1.0
CD D:GLU283 3.3 16.8 1.0
OD1 D:ASP241 3.4 21.8 1.0
O D:HOH802 3.6 24.4 1.0
CB D:ASP310 3.7 21.1 1.0
NZ D:LYS386 3.7 16.8 1.0
NZ D:LYS335 4.0 19.2 1.0
OE1 D:GLU283 4.0 14.2 1.0
MG D:MG501 4.1 28.0 1.0
O D:HOH622 4.1 29.1 1.0
OD2 D:ASP284 4.2 25.2 1.0
C2 D:2PG503 4.2 20.8 1.0
CG D:GLU283 4.2 16.2 1.0
NE2 D:GLN162 4.2 19.5 1.0
CD2 D:LEU333 4.2 22.9 1.0
OD1 D:ASP310 4.3 21.4 1.0
OE2 D:GLU163 4.5 23.6 1.0
CB D:ASP241 4.6 20.3 1.0
CG D:ASP284 4.9 24.8 1.0
O1P D:2PG503 4.9 18.0 1.0
CE D:LYS335 5.0 21.0 1.0

Reference:

B.K.Biswal, M.Ahmad, B.Jha. Mycobacterium Tubeculosis Enolase in Complex with 2-Phosphoglycerate To Be Published.
Page generated: Wed Oct 2 14:11:45 2024

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