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Magnesium in PDB 3o1n: 1.03 Angstrom Crystal Structure of Q236A Mutant Type I Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium

Enzymatic activity of 1.03 Angstrom Crystal Structure of Q236A Mutant Type I Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium

All present enzymatic activity of 1.03 Angstrom Crystal Structure of Q236A Mutant Type I Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium:
4.2.1.10;

Protein crystallography data

The structure of 1.03 Angstrom Crystal Structure of Q236A Mutant Type I Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium, PDB code: 3o1n was solved by S.H.Light, G.Minasov, L.Shuvalova, L.Papazisi, W.F.Anderson, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 26.62 / 1.03
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 45.433, 46.476, 55.790, 104.23, 97.50, 98.70
R / Rfree (%) 14 / 16.2

Other elements in 3o1n:

The structure of 1.03 Angstrom Crystal Structure of Q236A Mutant Type I Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the 1.03 Angstrom Crystal Structure of Q236A Mutant Type I Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium (pdb code 3o1n). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the 1.03 Angstrom Crystal Structure of Q236A Mutant Type I Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium, PDB code: 3o1n:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 3o1n

Go back to Magnesium Binding Sites List in 3o1n
Magnesium binding site 1 out of 4 in the 1.03 Angstrom Crystal Structure of Q236A Mutant Type I Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 1.03 Angstrom Crystal Structure of Q236A Mutant Type I Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg254

b:20.1
occ:0.50
 O A:HOH391 2.0 31.6 1.0
O A:HOH627 2.1 28.2 1.0
O A:HOH458 2.1 30.2 1.0
O A:HOH628 2.2 29.3 1.0
NE2 A:HIS134 2.3 21.2 1.0
CE1 A:HIS134 3.2 18.8 1.0
CD2 A:HIS134 3.3 19.6 1.0
OH A:TYR130 4.2 20.2 1.0
OD1 A:ASP106 4.3 21.4 1.0
O A:HOH595 4.3 74.7 1.0
ND1 A:HIS134 4.4 17.9 1.0
CG A:HIS134 4.4 17.1 1.0
CZ A:TYR130 4.8 17.5 1.0

Magnesium binding site 2 out of 4 in 3o1n

Go back to Magnesium Binding Sites List in 3o1n
Magnesium binding site 2 out of 4 in the 1.03 Angstrom Crystal Structure of Q236A Mutant Type I Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 1.03 Angstrom Crystal Structure of Q236A Mutant Type I Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg255

b:18.2
occ:0.50
 OE1 A:GLU217 1.9 18.0 1.0
O A:HOH300 2.0 22.7 1.0
O A:HOH690 2.1 19.9 0.5
O A:HOH427 2.1 16.9 0.5
O A:HOH427 2.2 17.6 0.5
O A:HOH279 2.3 26.4 1.0
CD A:GLU217 3.1 14.0 1.0
O A:HOH699 3.5 25.8 0.6
CG A:GLU217 3.6 14.5 1.0
ND1 A:HIS250 3.9 14.3 1.0
OE2 A:GLU217 4.1 14.1 1.0
CE1 A:HIS250 4.1 16.7 1.0
O A:HOH733 4.2 21.2 0.5
O A:HOH359 4.3 20.2 1.0
O A:HOH700 4.5 23.8 1.0
O A:HIS250 4.7 12.8 1.0
O A:HOH699 4.7 16.4 0.4
O A:HOH733 4.7 24.0 0.5
O A:HOH430 4.9 32.4 1.0

Magnesium binding site 3 out of 4 in 3o1n

Go back to Magnesium Binding Sites List in 3o1n
Magnesium binding site 3 out of 4 in the 1.03 Angstrom Crystal Structure of Q236A Mutant Type I Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of 1.03 Angstrom Crystal Structure of Q236A Mutant Type I Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg253

b:19.5
occ:0.50
 O B:HOH592 1.9 22.4 0.5
O B:HOH447 2.0 19.4 0.5
O B:HOH463 2.0 23.7 0.5
O B:HOH481 2.0 21.8 0.5
O B:HOH619 2.0 24.1 0.5
NE2 B:HIS134 2.3 20.0 1.0
CE1 B:HIS134 3.3 20.4 1.0
CD2 B:HIS134 3.3 19.4 1.0
OD1 B:ASP106 4.2 21.2 1.0
OH B:TYR130 4.3 20.1 1.0
ND1 B:HIS134 4.4 17.7 1.0
CG B:HIS134 4.4 16.4 1.0
NE2 B:GLN133 4.5 19.1 0.4
CZ B:TYR130 4.9 17.3 1.0

Magnesium binding site 4 out of 4 in 3o1n

Go back to Magnesium Binding Sites List in 3o1n
Magnesium binding site 4 out of 4 in the 1.03 Angstrom Crystal Structure of Q236A Mutant Type I Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of 1.03 Angstrom Crystal Structure of Q236A Mutant Type I Dehydroquinate Dehydratase (Arod) From Salmonella Typhimurium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg254

b:13.0
occ:0.50
 O B:HOH621 2.0 23.9 1.0
O B:HOH457 2.1 22.2 1.0
O B:HOH259 2.1 19.5 1.0
O B:HOH379 2.1 17.1 1.0
O B:HOH281 2.1 19.4 1.0
O B:HOH419 2.1 19.5 1.0
O B:HOH702 3.8 16.0 0.5
O B:HOH408 4.1 16.8 1.0
O B:LEU249 4.2 11.4 1.0
O B:HIS250 4.2 12.5 1.0
O A:HOH522 4.2 24.9 1.0
OE1 B:GLU217 4.3 24.4 1.0
O B:HOH702 4.3 19.6 0.5
O A:HOH412 4.5 15.2 1.0
OXT B:ALA252 4.5 14.3 1.0
CD A:LYS207 4.7 15.2 1.0
O B:HOH701 4.8 18.8 0.5
C B:HIS250 4.9 10.6 1.0

Reference:

S.H.Light, G.Minasov, L.Shuvalova, S.N.Peterson, M.Caffrey, W.F.Anderson, A.Lavie. A Conserved Surface Loop in Type I Dehydroquinate Dehydratases Positions An Active Site Arginine and Functions in Substrate Binding. Biochemistry V. 50 2357 2011.
ISSN: ISSN 0006-2960
PubMed: 21291284
DOI: 10.1021/BI102020S
Page generated: Mon Dec 14 08:31:04 2020

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