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Manganese in PDB 1nnr: Crystal Structure of A Probable Fosfomycin Resistance Protein (PA1129) From Pseudomonas Aeruginosa with Sulfate Present in the Active Site

Enzymatic activity of Crystal Structure of A Probable Fosfomycin Resistance Protein (PA1129) From Pseudomonas Aeruginosa with Sulfate Present in the Active Site

All present enzymatic activity of Crystal Structure of A Probable Fosfomycin Resistance Protein (PA1129) From Pseudomonas Aeruginosa with Sulfate Present in the Active Site:
2.5.1.18;

Protein crystallography data

The structure of Crystal Structure of A Probable Fosfomycin Resistance Protein (PA1129) From Pseudomonas Aeruginosa with Sulfate Present in the Active Site, PDB code: 1nnr was solved by C.L.Rife, R.E.Pharris, M.E.Newcomer, R.N.Armstrong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.25
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 44.930, 64.524, 78.825, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 26.8

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of A Probable Fosfomycin Resistance Protein (PA1129) From Pseudomonas Aeruginosa with Sulfate Present in the Active Site (pdb code 1nnr). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of A Probable Fosfomycin Resistance Protein (PA1129) From Pseudomonas Aeruginosa with Sulfate Present in the Active Site, PDB code: 1nnr:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 1nnr

Go back to Manganese Binding Sites List in 1nnr
Manganese binding site 1 out of 2 in the Crystal Structure of A Probable Fosfomycin Resistance Protein (PA1129) From Pseudomonas Aeruginosa with Sulfate Present in the Active Site


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of A Probable Fosfomycin Resistance Protein (PA1129) From Pseudomonas Aeruginosa with Sulfate Present in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn202

b:33.8
occ:1.00
 OE1 A:GLU110 2.3 24.6 1.0
O3 A:SO4302 2.4 43.5 0.8
NE2 B:HIS7 2.4 18.9 1.0
NE2 A:HIS64 2.5 28.4 1.0
CD2 A:HIS64 3.2 31.6 1.0
CE1 B:HIS7 3.3 19.6 1.0
CD A:GLU110 3.3 24.7 1.0
CD2 B:HIS7 3.4 16.8 1.0
S A:SO4302 3.4 47.7 0.8
O4 A:SO4302 3.5 46.4 0.8
OE2 A:GLU110 3.6 24.3 1.0
O A:HOH315 3.6 38.0 1.0
CE1 A:HIS64 3.6 27.0 1.0
OG1 B:THR9 4.0 22.2 1.0
O2 A:SO4302 4.1 46.4 0.8
CE2 A:TYR100 4.3 30.8 1.0
OH A:TYR100 4.4 25.6 1.0
ND1 B:HIS7 4.4 19.0 1.0
CG A:HIS64 4.5 27.1 1.0
CB A:ALA66 4.5 25.9 1.0
CG B:HIS7 4.5 23.0 1.0
O1 A:SO4302 4.6 47.8 0.8
ND1 A:HIS64 4.6 27.6 1.0
OH A:TYR62 4.6 51.5 1.0
CG A:GLU110 4.7 23.6 1.0
CZ A:TYR100 4.9 25.7 1.0
CB A:GLU110 4.9 22.5 1.0

Manganese binding site 2 out of 2 in 1nnr

Go back to Manganese Binding Sites List in 1nnr
Manganese binding site 2 out of 2 in the Crystal Structure of A Probable Fosfomycin Resistance Protein (PA1129) From Pseudomonas Aeruginosa with Sulfate Present in the Active Site


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of A Probable Fosfomycin Resistance Protein (PA1129) From Pseudomonas Aeruginosa with Sulfate Present in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn201

b:36.4
occ:1.00
 OE1 B:GLU110 2.1 18.4 1.0
NE2 B:HIS64 2.4 28.7 1.0
NE2 A:HIS7 2.4 21.4 1.0
O2 B:SO4301 2.4 43.2 0.8
CD B:GLU110 3.1 25.5 1.0
CD2 B:HIS64 3.3 28.9 1.0
CE1 A:HIS7 3.3 20.9 1.0
CE1 B:HIS64 3.4 29.6 1.0
CD2 A:HIS7 3.5 17.8 1.0
OE2 B:GLU110 3.5 25.3 1.0
S B:SO4301 3.7 44.6 0.8
O1 B:SO4301 3.8 47.8 0.8
O B:HOH314 4.1 29.6 1.0
OG1 A:THR9 4.1 27.0 1.0
CE2 B:TYR100 4.1 27.8 1.0
O4 B:SO4301 4.4 47.5 0.8
ND1 A:HIS7 4.5 25.4 1.0
CG B:HIS64 4.5 31.8 1.0
CG B:GLU110 4.5 25.9 1.0
ND1 B:HIS64 4.5 29.3 1.0
OH B:TYR100 4.5 30.2 1.0
CG A:HIS7 4.6 22.5 1.0
CB B:ALA66 4.6 25.1 1.0
O3 B:SO4301 4.8 46.4 0.8
CZ B:TYR100 4.8 30.0 1.0
CB B:GLU110 4.8 26.5 1.0

Reference:

R.E.Rigsby, C.L.Rife, K.L.Fillgrove, M.E.Newcomer, R.N.Armstrong. Phosphonoformate: A Minimal Transition State Analogue Inhibitor of the Fosfomycin Resistance Protein, Fosa. Biochemistry V. 43 13666 2004.
ISSN: ISSN 0006-2960
PubMed: 15504029
DOI: 10.1021/BI048767H
Page generated: Sat Oct 5 11:52:37 2024

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