Manganese in PDB 8r37: Klebsiella Pneumoniae Fosfomycin-Resistance Protein (Fosakp)

The structure of Klebsiella Pneumoniae Fosfomycin-Resistance Protein (Fosakp), PDB code: 8r37 was solved by A.C.Papageorgiou, C.Varotsou, N.E.Labrou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.85 / 1.48
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.62, 47.03, 149.2, 90, 90, 90
R / Rfree (%)	17.3 / 20.6

The structure of Klebsiella Pneumoniae Fosfomycin-Resistance Protein (Fosakp) also contains other interesting chemical elements:

Potassium	(K)	2 atoms
Sodium	(Na)	10 atoms

The binding sites of Manganese atom in the Klebsiella Pneumoniae Fosfomycin-Resistance Protein (Fosakp) (pdb code 8r37). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Klebsiella Pneumoniae Fosfomycin-Resistance Protein (Fosakp), PDB code: 8r37:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Klebsiella Pneumoniae Fosfomycin-Resistance Protein (Fosakp)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Klebsiella Pneumoniae Fosfomycin-Resistance Protein (Fosakp) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn202 b:21.4 occ:1.00 OE1 B:GLU113 2.1 21.1 1.0 O3P B:FCN201 2.1 28.2 1.0 NE2 A:HIS7 2.1 22.7 1.0 NE2 B:HIS67 2.2 22.0 1.0 O B:FCN201 2.2 23.9 1.0 CE1 A:HIS7 3.0 21.2 1.0 CD B:GLU113 3.1 23.6 1.0 CE1 B:HIS67 3.1 22.8 1.0 CD2 A:HIS7 3.2 22.0 1.0 CD2 B:HIS67 3.2 20.2 1.0 P B:FCN201 3.2 34.0 1.0 C1 B:FCN201 3.2 33.8 1.0 C2 B:FCN201 3.3 38.2 1.0 OE2 B:GLU113 3.4 23.8 1.0 C3 B:FCN201 3.6 37.3 1.0 OG1 A:THR9 3.9 21.1 1.0 O1P B:FCN201 4.1 35.8 1.0 O B:HOH364 4.1 26.9 1.0 CE1 B:TYR103 4.1 21.9 1.0 ND1 A:HIS7 4.2 22.5 1.0 ND1 B:HIS67 4.3 22.0 1.0 OH B:TYR103 4.3 25.1 1.0 O2P B:FCN201 4.3 38.0 1.0 CG A:HIS7 4.3 21.6 1.0 CG B:HIS67 4.3 21.1 1.0 CG B:GLU113 4.5 21.3 1.0 CB B:ALA69 4.5 20.1 1.0 CZ B:TYR103 4.7 22.9 1.0 CB B:GLU113 4.8 19.7 1.0 CB A:THR9 4.8 21.6 1.0 OH B:TYR65 4.9 32.4 1.0

Manganese binding site 2 out of 2 in the Klebsiella Pneumoniae Fosfomycin-Resistance Protein (Fosakp)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Klebsiella Pneumoniae Fosfomycin-Resistance Protein (Fosakp) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:18.9 occ:1.00 OE1 A:GLU113 2.1 19.0 1.0 O4 A:TLA201 2.1 25.0 1.0 NE2 B:HIS7 2.2 19.4 1.0 NE2 A:HIS67 2.2 20.1 1.0 O A:HOH309 2.3 23.3 1.0 CD A:GLU113 3.1 19.6 1.0 C4 A:TLA201 3.1 36.4 1.0 CE1 B:HIS7 3.1 19.6 1.0 CE1 A:HIS67 3.1 18.8 1.0 CD2 B:HIS7 3.2 22.4 1.0 CD2 A:HIS67 3.2 19.9 1.0 OE2 A:GLU113 3.4 20.4 1.0 O41 A:TLA201 3.7 34.6 1.0 OG1 B:THR9 3.8 21.4 1.0 O3 A:TLA201 4.0 28.1 1.0 O A:HOH327 4.1 24.1 1.0 CE2 A:TYR103 4.1 19.6 1.0 C3 A:TLA201 4.2 24.4 1.0 ND1 B:HIS7 4.2 18.5 1.0 OH A:TYR103 4.3 25.2 1.0 ND1 A:HIS67 4.3 18.6 1.0 CG B:HIS7 4.3 21.5 1.0 CG A:HIS67 4.3 21.5 1.0 CG A:GLU113 4.4 19.4 1.0 O2 A:TLA201 4.5 29.1 1.0 CB A:ALA69 4.5 20.1 1.0 CZ A:TYR103 4.7 20.9 1.0 CB A:GLU113 4.7 18.8 1.0 CB B:THR9 4.8 21.3 1.0 C2 A:TLA201 5.0 27.8 1.0

C.Varotsou, F.Ataya, A.C.Papageorgiou, N.E.Labrou. Structural Studies of Klebsiella Pneumoniae Fosfomycin-Resistance Protein and Its Application For the Development of An Optical Biosensor For Fosfomycin Determination. Int J Mol Sci V. 25 2023.
ISSN: ESSN 1422-0067
PubMed: 38203259
DOI: 10.3390/IJMS25010085