Manganese in PDB 5v3d: Crystal Structure of Fosfomycin Resistance Protein From Klebsiella Pneumoniae with Bound Fosfomycin

The structure of Crystal Structure of Fosfomycin Resistance Protein From Klebsiella Pneumoniae with Bound Fosfomycin, PDB code: 5v3d was solved by E.Klontz, S.Guenther, Z.Silverstein, E.Sundberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.29 / 1.54
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.071, 47.155, 149.517, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 20.6

The structure of Crystal Structure of Fosfomycin Resistance Protein From Klebsiella Pneumoniae with Bound Fosfomycin also contains other interesting chemical elements:

Potassium

(K)

2 atoms

The binding sites of Manganese atom in the Crystal Structure of Fosfomycin Resistance Protein From Klebsiella Pneumoniae with Bound Fosfomycin (pdb code 5v3d). 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 Fosfomycin Resistance Protein From Klebsiella Pneumoniae with Bound Fosfomycin, PDB code: 5v3d:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Fosfomycin Resistance Protein From Klebsiella Pneumoniae with Bound Fosfomycin


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 Fosfomycin Resistance Protein From Klebsiella Pneumoniae with Bound Fosfomycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:17.6 occ:1.00 O1P A:FCN203 2.0 24.2 1.0 OE1 A:GLU113 2.0 20.7 1.0 NE2 B:HIS7 2.2 20.8 1.0 NE2 A:HIS67 2.2 22.0 1.0 O A:FCN203 2.4 31.0 1.0 CD A:GLU113 3.1 19.1 1.0 CE1 B:HIS7 3.1 22.0 1.0 CE1 A:HIS67 3.1 18.8 1.0 P A:FCN203 3.2 25.3 1.0 CD2 A:HIS67 3.2 20.6 1.0 CD2 B:HIS7 3.2 21.0 1.0 C1 A:FCN203 3.3 32.9 1.0 C2 A:FCN203 3.4 38.3 1.0 OE2 A:GLU113 3.4 20.6 1.0 C3 A:FCN203 3.6 42.9 1.0 CE2 A:TYR103 4.1 17.5 1.0 OG1 B:THR9 4.1 18.5 1.0 O3P A:FCN203 4.1 25.1 1.0 OH A:TYR103 4.2 21.1 1.0 O A:HOH361 4.2 21.1 1.0 ND1 B:HIS7 4.2 21.3 1.0 O2P A:FCN203 4.3 28.6 1.0 ND1 A:HIS67 4.3 19.3 1.0 CG B:HIS7 4.3 21.2 1.0 CG A:HIS67 4.3 19.9 1.0 CG A:GLU113 4.4 19.0 1.0 CB A:ALA69 4.5 21.6 1.0 CZ A:TYR103 4.6 18.4 1.0 CB A:GLU113 4.7 18.2 1.0 OH A:TYR65 4.9 21.4 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Fosfomycin Resistance Protein From Klebsiella Pneumoniae with Bound Fosfomycin


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 Fosfomycin Resistance Protein From Klebsiella Pneumoniae with Bound Fosfomycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn204 b:36.0 occ:1.00 OE1 B:GLU113 2.1 29.9 1.0 O3P A:FCN205 2.1 36.1 1.0 NE2 A:HIS7 2.2 30.8 1.0 NE2 B:HIS67 2.2 25.5 1.0 O A:FCN205 2.5 40.0 1.0 CE1 B:HIS67 3.1 26.7 1.0 CD B:GLU113 3.1 28.2 1.0 CE1 A:HIS7 3.1 28.1 1.0 CD2 A:HIS7 3.2 28.2 1.0 CD2 B:HIS67 3.2 24.8 1.0 P A:FCN205 3.3 38.4 1.0 OE2 B:GLU113 3.5 32.1 1.0 C1 A:FCN205 3.5 39.3 1.0 C2 A:FCN205 3.5 43.6 1.0 C3 A:FCN205 3.6 45.6 1.0 OG1 A:THR9 3.9 28.4 1.0 OH B:TYR103 4.2 30.9 1.0 O B:HOH352 4.2 28.8 1.0 CE1 B:TYR103 4.2 29.7 1.0 O1P A:FCN205 4.2 39.4 1.0 ND1 B:HIS67 4.2 26.9 1.0 ND1 A:HIS7 4.3 27.9 1.0 O2P A:FCN205 4.3 40.8 1.0 CG A:HIS7 4.3 26.5 1.0 CG B:HIS67 4.3 25.7 1.0 CG B:GLU113 4.4 27.3 1.0 CB B:ALA69 4.5 25.2 1.0 CZ B:TYR103 4.6 28.9 1.0 CB B:GLU113 4.7 24.5 1.0 C4 B:PEG201 4.9 33.0 1.0 OH B:TYR65 4.9 35.8 1.0 CB A:THR9 5.0 27.1 1.0

E.H.Klontz, A.D.Tomich, S.Gunther, J.A.Lemkul, D.Deredge, Z.Silverstein, J.F.Shaw, C.Mcelheny, Y.Doi, P.L.Wintrode, A.D.Mackerell, N.Sluis-Cremer, E.J.Sundberg. Structure and Dynamics of Fosa-Mediated Fosfomycin Resistance in Klebsiella Pneumoniae and Escherichia Coli. Antimicrob. Agents V. 61 2017CHEMOTHER..
ISSN: ESSN 1098-6596
PubMed: 28874374
DOI: 10.1128/AAC.01572-17