Manganese in PDB 1nki: Crystal Structure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Phosphonoformate

All present enzymatic activity of Crystal Structure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Phosphonoformate:
2.5.1.18;

The structure of Crystal Structure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Phosphonoformate, PDB code: 1nki 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)	30.00 / 0.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.982, 66.895, 76.723, 90.00, 90.00, 90.00
R / Rfree (%)	14.7 / 17.6

The structure of Crystal Structure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Phosphonoformate also contains other interesting chemical elements:

Potassium

(K)

2 atoms

The binding sites of Manganese atom in the Crystal Structure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Phosphonoformate (pdb code 1nki). 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 the Fosfomycin Resistance Protein A (Fosa) Containing Bound Phosphonoformate, PDB code: 1nki:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Phosphonoformate


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 the Fosfomycin Resistance Protein A (Fosa) Containing Bound Phosphonoformate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn4004 b:8.9 occ:1.00 O1 A:PPF5001 2.1 10.0 1.0 OE1 A:GLU110 2.1 9.3 1.0 NE2 B:HIS7 2.1 9.5 1.0 NE2 A:HIS64 2.1 8.8 1.0 O5 A:PPF5001 2.2 10.3 1.0 C1 A:PPF5001 3.0 11.8 1.0 CE1 B:HIS7 3.1 9.3 1.0 CE1 A:HIS64 3.1 8.8 1.0 CD A:GLU110 3.1 8.8 1.0 P1 A:PPF5001 3.1 10.6 1.0 CD2 B:HIS7 3.2 9.3 1.0 CD2 A:HIS64 3.2 9.1 1.0 OE2 A:GLU110 3.5 9.4 1.0 O A:HOH9366 4.0 10.7 1.0 OG1 B:THR9 4.0 9.9 1.0 O2 A:PPF5001 4.1 11.8 1.0 CE2 A:TYR100 4.1 9.6 1.0 O3 A:PPF5001 4.2 11.8 1.0 O4 A:PPF5001 4.2 15.1 1.0 ND1 B:HIS7 4.2 9.0 1.0 ND1 A:HIS64 4.3 8.6 1.0 OH A:TYR100 4.3 10.8 1.0 CG B:HIS7 4.3 8.6 1.0 CG A:HIS64 4.3 8.5 1.0 CG A:GLU110 4.5 8.7 1.0 CB A:ALA66 4.5 8.9 1.0 CZ A:TYR100 4.7 9.4 1.0 CB A:GLU110 4.8 8.8 1.0 CB B:THR9 4.9 8.4 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of the Fosfomycin Resistance Protein A (Fosa) Containing Bound Phosphonoformate


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 the Fosfomycin Resistance Protein A (Fosa) Containing Bound Phosphonoformate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn4003 b:8.9 occ:1.00 OE1 B:GLU110 2.1 9.3 1.0 O1 B:PPF5002 2.1 10.0 1.0 NE2 B:HIS64 2.1 9.0 1.0 NE2 A:HIS7 2.1 9.3 1.0 O5 B:PPF5002 2.2 10.8 1.0 C1 B:PPF5002 3.0 11.1 1.0 CE1 A:HIS7 3.1 9.1 1.0 CE1 B:HIS64 3.1 8.6 1.0 CD B:GLU110 3.1 8.7 1.0 P1 B:PPF5002 3.1 10.4 1.0 CD2 A:HIS7 3.2 8.9 1.0 CD2 B:HIS64 3.2 9.0 1.0 OE2 B:GLU110 3.5 9.6 1.0 O B:HOH9375 4.0 10.8 1.0 OG1 A:THR9 4.0 9.5 1.0 O2 B:PPF5002 4.1 11.7 1.0 CE2 B:TYR100 4.1 9.9 1.0 O4 B:PPF5002 4.2 15.1 1.0 O3 B:PPF5002 4.2 11.9 1.0 ND1 A:HIS7 4.2 8.9 1.0 ND1 B:HIS64 4.2 8.6 1.0 OH B:TYR100 4.3 10.7 1.0 CG A:HIS7 4.3 8.8 1.0 CG B:HIS64 4.3 8.7 1.0 CG B:GLU110 4.5 9.1 1.0 CB B:ALA66 4.5 9.5 1.0 CZ B:TYR100 4.7 9.5 1.0 CB B:GLU110 4.7 8.5 1.0 CB A:THR9 4.9 8.8 1.0

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