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Magnesium in PDB 7qoq: Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 8.5 in Complex with Ump and Magnesium

Enzymatic activity of Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 8.5 in Complex with Ump and Magnesium

All present enzymatic activity of Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 8.5 in Complex with Ump and Magnesium:
2.4.1.266;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 8.5 in Complex with Ump and Magnesium, PDB code: 7qoq was solved by A.Silva, P.J.Babosa Pereira, S.Macedo-Ribeiro, D.Costa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.00 / 1.93
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 71.076, 90.377, 96.007, 90, 90, 90
R / Rfree (%) 17.6 / 22.8

Other elements in 7qoq:

The structure of Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 8.5 in Complex with Ump and Magnesium also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 8.5 in Complex with Ump and Magnesium (pdb code 7qoq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 8.5 in Complex with Ump and Magnesium, PDB code: 7qoq:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 7qoq

Go back to Magnesium Binding Sites List in 7qoq
Magnesium binding site 1 out of 4 in the Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 8.5 in Complex with Ump and Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 8.5 in Complex with Ump and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg401

b:29.6
occ:1.00
 OP3 A:U402 2.0 27.1 1.0
O A:HOH611 2.0 29.1 1.0
O A:HOH646 2.1 26.6 1.0
OD2 A:ASP133 2.2 23.7 1.0
O A:HOH529 2.3 22.7 1.0
CG A:ASP133 3.2 21.5 1.0
P A:U402 3.4 23.6 1.0
OD1 A:ASP133 3.6 15.6 1.0
O A:HOH610 3.8 21.9 1.0
O A:HOH750 3.9 38.0 1.0
O5' A:U402 4.2 20.3 1.0
C5' A:U402 4.2 15.5 1.0
OP1 A:U402 4.3 24.6 1.0
O A:HOH732 4.3 29.4 1.0
OP2 A:U402 4.3 23.1 1.0
OD2 A:ASP131 4.5 19.8 1.0
CB A:ASP133 4.6 17.5 1.0

Magnesium binding site 2 out of 4 in 7qoq

Go back to Magnesium Binding Sites List in 7qoq
Magnesium binding site 2 out of 4 in the Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 8.5 in Complex with Ump and Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 8.5 in Complex with Ump and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg404

b:29.0
occ:1.00
 O A:HOH610 2.0 21.9 1.0
O A:HOH770 2.1 28.7 1.0
OE2 A:GLU51 2.1 20.4 1.0
O A:HOH584 2.2 26.5 1.0
O A:HOH631 2.3 25.9 1.0
O A:HOH655 2.3 27.9 1.0
CD A:GLU51 3.1 20.2 1.0
OE1 A:GLU51 3.4 18.1 1.0
O A:LEU49 3.9 15.6 1.0
O A:HOH732 3.9 29.4 1.0
O2' A:U402 4.1 16.4 1.0
OP2 A:U402 4.2 23.1 1.0
C2' A:U402 4.3 16.9 1.0
CG A:GLU51 4.4 17.7 1.0
OD2 A:ASP133 4.5 23.7 1.0
CB A:ASP133 4.5 17.5 1.0
O A:ASN50 4.6 19.4 1.0
C3' A:U402 4.7 16.3 1.0
P A:U402 4.9 23.6 1.0
CG A:ASP133 5.0 21.5 1.0
O5' A:U402 5.0 20.3 1.0

Magnesium binding site 3 out of 4 in 7qoq

Go back to Magnesium Binding Sites List in 7qoq
Magnesium binding site 3 out of 4 in the Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 8.5 in Complex with Ump and Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 8.5 in Complex with Ump and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg401

b:28.6
occ:1.00
 O B:HOH608 2.0 32.3 1.0
O B:HOH701 2.1 34.2 1.0
O B:HOH520 2.1 30.1 1.0
OP3 B:U402 2.1 27.4 1.0
OD2 B:ASP133 2.1 21.4 1.0
O B:HOH516 2.2 23.3 1.0
CG B:ASP133 3.1 24.3 1.0
OD1 B:ASP133 3.4 22.4 1.0
P B:U402 3.5 26.4 1.0
O B:HOH537 4.0 28.6 1.0
OP1 B:U402 4.0 26.4 1.0
O B:HOH672 4.2 34.5 1.0
C5' B:U402 4.3 20.4 1.0
O5' B:U402 4.3 25.9 1.0
NH1 B:ARG255 4.4 48.5 1.0
O B:HOH723 4.4 42.2 1.0
CB B:ASP133 4.5 27.2 1.0
OD2 B:ASP131 4.5 20.7 1.0
OP2 B:U402 4.6 27.0 1.0

Magnesium binding site 4 out of 4 in 7qoq

Go back to Magnesium Binding Sites List in 7qoq
Magnesium binding site 4 out of 4 in the Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 8.5 in Complex with Ump and Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Mycobacterium Hassiacum Glucosyl-3- Phosphoglycerate Synthase at pH 8.5 in Complex with Ump and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg403

b:33.1
occ:1.00
 O B:HOH537 2.0 28.6 1.0
O B:HOH651 2.1 29.0 1.0
OE2 B:GLU51 2.1 22.0 1.0
O B:HOH620 2.2 26.9 1.0
O B:HOH737 2.2 30.2 1.0
O B:HOH546 2.3 31.4 1.0
CD B:GLU51 3.0 23.6 1.0
OE1 B:GLU51 3.2 23.0 1.0
O B:HOH672 3.9 34.5 1.0
O B:LEU49 4.0 24.9 1.0
O B:HOH618 4.0 29.5 1.0
O B:HOH760 4.2 50.4 1.0
O2' B:U402 4.3 19.8 1.0
CG B:GLU51 4.3 21.4 1.0
CB B:ASP133 4.4 27.2 1.0
C2' B:U402 4.5 21.8 1.0
OD2 B:ASP133 4.5 21.4 1.0
OP2 B:U402 4.5 27.0 1.0
O B:ASN50 4.6 23.2 1.0
O B:HOH707 4.7 39.9 1.0
OP3 B:U402 4.8 27.4 1.0
CG B:ASP133 4.9 24.3 1.0
C3' B:U402 5.0 20.1 1.0

Reference:

A.Silva, D.Nunes-Costa, N.Empadinhas, P.J.Babosa Pereira, S.Macedo-Ribeiro. Crystal Structure of Mycobacterium Hassiacum Glucosyl-3-Phosphoglycerate Synthase at pH 8.5 in Complex with Ump and Magnesium To Be Published.
Page generated: Thu Oct 3 05:15:35 2024

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