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Magnesium in PDB 4fe2: X-Ray Structure of Saicar Synthetase (Purc) From Streptococcus Pneumoniae Complexed with Air, Adp, Asp and MG2+

Enzymatic activity of X-Ray Structure of Saicar Synthetase (Purc) From Streptococcus Pneumoniae Complexed with Air, Adp, Asp and MG2+

All present enzymatic activity of X-Ray Structure of Saicar Synthetase (Purc) From Streptococcus Pneumoniae Complexed with Air, Adp, Asp and MG2+:
6.3.2.6;

Protein crystallography data

The structure of X-Ray Structure of Saicar Synthetase (Purc) From Streptococcus Pneumoniae Complexed with Air, Adp, Asp and MG2+, PDB code: 4fe2 was solved by N.Wolf, C.Abad-Zapatero, M.E.Johnson, L.M.-W.Fung, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 85.99 / 2.29
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 46.074, 65.021, 86.052, 90.00, 92.09, 90.00
R / Rfree (%) 19.6 / 28.4

Other elements in 4fe2:

The structure of X-Ray Structure of Saicar Synthetase (Purc) From Streptococcus Pneumoniae Complexed with Air, Adp, Asp and MG2+ also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the X-Ray Structure of Saicar Synthetase (Purc) From Streptococcus Pneumoniae Complexed with Air, Adp, Asp and MG2+ (pdb code 4fe2). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the X-Ray Structure of Saicar Synthetase (Purc) From Streptococcus Pneumoniae Complexed with Air, Adp, Asp and MG2+, PDB code: 4fe2:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 4fe2

Go back to Magnesium Binding Sites List in 4fe2
Magnesium binding site 1 out of 2 in the X-Ray Structure of Saicar Synthetase (Purc) From Streptococcus Pneumoniae Complexed with Air, Adp, Asp and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Structure of Saicar Synthetase (Purc) From Streptococcus Pneumoniae Complexed with Air, Adp, Asp and MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg303

b:30.3
occ:1.00
 O1B A:ADP302 1.9 23.3 1.0
O A:HOH506 2.2 17.3 1.0
O A:HOH505 2.2 19.6 1.0
O2A A:ADP302 2.3 22.6 1.0
O A:HOH504 2.3 20.8 1.0
OXT A:ASP306 2.6 57.9 1.0
CB A:ASP306 3.1 45.5 1.0
C A:ASP306 3.1 51.6 1.0
PB A:ADP302 3.1 26.8 1.0
PA A:ADP302 3.2 23.1 1.0
O3A A:ADP302 3.4 25.3 1.0
CA A:ASP306 3.7 47.8 1.0
O A:ASP306 3.8 47.0 1.0
O3B A:ADP302 3.9 29.0 1.0
O1A A:ADP302 4.0 22.0 1.0
OD2 A:ASP191 4.1 18.4 1.0
NZ A:LYS12 4.2 21.8 1.0
O A:HOH535 4.2 26.6 1.0
CG A:ASP306 4.3 51.3 1.0
O2B A:ADP302 4.3 29.4 1.0
OD1 A:ASP191 4.3 19.7 1.0
O A:HOH451 4.3 20.7 1.0
OD1 A:ASP306 4.3 45.0 1.0
OE1 A:GLU178 4.5 26.4 1.0
O5' A:ADP302 4.6 27.4 1.0
CG A:ASP191 4.6 20.1 1.0
NZ A:LYS176 4.7 17.4 1.0
CB A:ALA11 4.7 24.5 1.0
NZ A:LYS122 4.7 23.9 1.0
N A:ASP306 4.7 48.5 1.0
OE1 A:GLU192 5.0 19.1 1.0

Magnesium binding site 2 out of 2 in 4fe2

Go back to Magnesium Binding Sites List in 4fe2
Magnesium binding site 2 out of 2 in the X-Ray Structure of Saicar Synthetase (Purc) From Streptococcus Pneumoniae Complexed with Air, Adp, Asp and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of X-Ray Structure of Saicar Synthetase (Purc) From Streptococcus Pneumoniae Complexed with Air, Adp, Asp and MG2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg303

b:27.8
occ:1.00
 O1B B:ADP302 1.7 31.6 1.0
O B:HOH556 2.0 33.0 1.0
O2A B:ADP302 2.1 24.8 1.0
O B:HOH415 2.2 25.1 1.0
O B:HOH508 2.4 24.1 1.0
O B:HOH509 2.4 27.1 1.0
PB B:ADP302 3.1 37.1 1.0
PA B:ADP302 3.2 26.5 1.0
O3A B:ADP302 3.5 30.7 1.0
O3B B:ADP302 4.0 36.9 1.0
O1A B:ADP302 4.0 26.5 1.0
O2B B:ADP302 4.1 34.8 1.0
OD2 B:ASP191 4.1 17.6 1.0
O B:HOH430 4.2 15.6 1.0
NZ B:LYS12 4.3 22.7 1.0
NZ B:LYS176 4.3 19.7 1.0
OD1 B:ASP191 4.4 18.7 1.0
O5' B:ADP302 4.4 31.0 1.0
CG B:ASP191 4.7 18.8 1.0
OE2 B:GLU178 4.7 24.6 1.0

Reference:

N.M.Wolf, C.Abad-Zapatero, M.E.Johnson, L.W.Fung. Structures of Saicar Synthetase (Purc) From Streptococcus Pneumoniae with Adp, Mg(2+), Air and Asp. Acta Crystallogr.,Sect.D V. 70 841 2014.
ISSN: ISSN 0907-4449
PubMed: 24598753
DOI: 10.1107/S139900471303366X
Page generated: Fri Aug 16 14:54:50 2024

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