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Manganese in PDB 5vb0: Crystal Structure of Fosfomycin Resistance Protein FOSA3

Protein crystallography data

The structure of Crystal Structure of Fosfomycin Resistance Protein FOSA3, PDB code: 5vb0 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) 29.75 / 2.69
Space group P 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 87.608, 87.608, 357.038, 90.00, 90.00, 90.00
R / Rfree (%) 20.5 / 24.9

Other elements in 5vb0:

The structure of Crystal Structure of Fosfomycin Resistance Protein FOSA3 also contains other interesting chemical elements:

Nickel (Ni) 6 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Fosfomycin Resistance Protein FOSA3 (pdb code 5vb0). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 8 binding sites of Manganese where determined in the Crystal Structure of Fosfomycin Resistance Protein FOSA3, PDB code: 5vb0:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Manganese binding site 1 out of 8 in 5vb0

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Manganese binding site 1 out of 8 in the Crystal Structure of Fosfomycin Resistance Protein FOSA3


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 FOSA3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn201

b:50.9
occ:1.00
 OE1 A:GLU113 2.2 63.8 1.0
NE2 B:HIS7 2.3 49.9 1.0
NE2 A:HIS67 2.4 46.2 1.0
CE1 B:HIS7 2.9 47.8 1.0
CD A:GLU113 3.0 61.6 1.0
OE2 A:GLU113 3.2 64.7 1.0
CD2 A:HIS67 3.3 50.8 1.0
CE1 A:HIS67 3.3 54.6 1.0
CD2 B:HIS7 3.5 47.8 1.0
ND1 B:HIS7 4.1 48.1 1.0
OG1 B:THR9 4.2 52.9 1.0
CE1 A:TYR103 4.3 64.4 1.0
OH A:TYR103 4.3 67.8 1.0
ND1 A:HIS67 4.4 47.4 1.0
CG B:HIS7 4.4 53.0 1.0
CG A:HIS67 4.4 52.6 1.0
CG A:GLU113 4.4 56.1 1.0
CB A:ALA69 4.6 50.8 1.0
CZ A:TYR103 4.8 68.1 1.0
OH A:TYR65 4.8 53.4 1.0
CB A:GLU113 4.8 55.0 1.0

Manganese binding site 2 out of 8 in 5vb0

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Manganese binding site 2 out of 8 in the Crystal Structure of Fosfomycin Resistance Protein FOSA3


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 FOSA3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn201

b:52.0
occ:1.00
 OE1 B:GLU113 2.2 64.6 1.0
NE2 B:HIS67 2.3 53.3 1.0
NE2 A:HIS7 2.3 46.5 1.0
CE1 A:HIS7 2.9 44.3 1.0
CD B:GLU113 3.1 62.0 1.0
CE1 B:HIS67 3.1 53.2 1.0
CD2 B:HIS67 3.3 53.3 1.0
OE2 B:GLU113 3.3 57.8 1.0
CD2 A:HIS7 3.5 42.8 1.0
ND1 A:HIS7 4.1 49.6 1.0
OG1 A:THR9 4.2 49.8 1.0
ND1 B:HIS67 4.3 49.6 1.0
CG B:HIS67 4.4 57.8 1.0
CE1 B:TYR103 4.4 70.0 1.0
CG A:HIS7 4.4 48.0 1.0
CG B:GLU113 4.5 57.3 1.0
OH B:TYR65 4.6 64.6 1.0
OH B:TYR103 4.6 76.3 1.0
CB B:ALA69 4.7 54.4 1.0
CB B:GLU113 4.9 56.1 1.0

Manganese binding site 3 out of 8 in 5vb0

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Manganese binding site 3 out of 8 in the Crystal Structure of Fosfomycin Resistance Protein FOSA3


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Fosfomycin Resistance Protein FOSA3 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn201

b:57.4
occ:1.00
 NE2 C:HIS67 2.1 57.2 1.0
OE1 C:GLU113 2.2 73.7 1.0
NE2 D:HIS7 2.3 56.4 1.0
CE1 D:HIS7 2.9 60.3 1.0
CE1 C:HIS67 3.0 59.5 1.0
CD2 C:HIS67 3.1 63.4 1.0
CD C:GLU113 3.2 69.6 1.0
OE2 C:GLU113 3.5 66.9 1.0
CD2 D:HIS7 3.5 50.6 1.0
ND1 C:HIS67 4.1 56.9 1.0
OG1 D:THR9 4.1 49.0 1.0
CG C:HIS67 4.2 64.5 1.0
ND1 D:HIS7 4.2 54.2 1.0
CE1 C:TYR103 4.3 75.8 1.0
OH C:TYR65 4.4 78.0 1.0
OH C:TYR103 4.4 65.9 1.0
CG D:HIS7 4.5 54.6 1.0
CG C:GLU113 4.6 65.3 1.0
CB C:ALA69 4.8 57.3 1.0
CZ C:TYR103 4.8 77.9 1.0
CB C:GLU113 4.9 73.3 1.0

Manganese binding site 4 out of 8 in 5vb0

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Manganese binding site 4 out of 8 in the Crystal Structure of Fosfomycin Resistance Protein FOSA3


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of Fosfomycin Resistance Protein FOSA3 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn201

b:54.8
occ:1.00
 OE1 D:GLU113 2.2 61.5 1.0
NE2 C:HIS7 2.2 51.9 1.0
NE2 D:HIS67 2.3 60.1 1.0
CE1 C:HIS7 2.9 58.2 1.0
CD D:GLU113 3.1 54.6 1.0
CE1 D:HIS67 3.2 64.3 1.0
CD2 D:HIS67 3.3 57.4 1.0
OE2 D:GLU113 3.3 60.5 1.0
CD2 C:HIS7 3.4 56.0 1.0
OG1 C:THR9 4.0 71.9 1.0
ND1 C:HIS7 4.2 55.9 1.0
ND1 D:HIS67 4.3 55.7 1.0
OH D:TYR103 4.4 62.9 1.0
CG D:HIS67 4.4 61.4 1.0
CG C:HIS7 4.4 58.8 1.0
CE1 D:TYR103 4.4 65.7 1.0
CB D:ALA69 4.5 46.7 1.0
CG D:GLU113 4.5 57.9 1.0
CB D:GLU113 4.8 60.0 1.0
OH D:TYR65 4.9 64.7 1.0
CZ D:TYR103 4.9 72.5 1.0
CB C:THR9 5.0 64.1 1.0

Manganese binding site 5 out of 8 in 5vb0

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Manganese binding site 5 out of 8 in the Crystal Structure of Fosfomycin Resistance Protein FOSA3


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Crystal Structure of Fosfomycin Resistance Protein FOSA3 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mn201

b:59.1
occ:1.00
 NE2 E:HIS67 2.2 50.8 1.0
OE1 E:GLU113 2.3 64.2 1.0
NE2 F:HIS7 2.3 43.6 1.0
CE1 F:HIS7 3.0 47.8 1.0
CD E:GLU113 3.1 62.1 1.0
OE2 E:GLU113 3.1 60.1 1.0
CE1 E:HIS67 3.1 52.6 1.0
CD2 E:HIS67 3.2 50.8 1.0
CD2 F:HIS7 3.5 45.9 1.0
OG1 F:THR9 4.1 50.7 1.0
CE1 E:TYR103 4.1 62.0 1.0
ND1 F:HIS7 4.2 45.2 1.0
OH E:TYR103 4.2 63.2 1.0
ND1 E:HIS67 4.3 46.9 1.0
CG E:HIS67 4.3 56.5 1.0
CG F:HIS7 4.5 45.5 1.0
CG E:GLU113 4.5 59.6 1.0
OH E:TYR65 4.6 58.7 1.0
CB E:ALA69 4.7 47.3 1.0
CZ E:TYR103 4.7 68.8 1.0

Manganese binding site 6 out of 8 in 5vb0

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Manganese binding site 6 out of 8 in the Crystal Structure of Fosfomycin Resistance Protein FOSA3


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Crystal Structure of Fosfomycin Resistance Protein FOSA3 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mn201

b:56.5
occ:1.00
 OE1 F:GLU113 2.1 66.3 1.0
NE2 F:HIS67 2.2 45.6 1.0
NE2 E:HIS7 2.3 52.4 1.0
CE1 E:HIS7 2.9 49.2 1.0
CD F:GLU113 3.1 60.9 1.0
CE1 F:HIS67 3.2 56.3 1.0
CD2 F:HIS67 3.2 56.7 1.0
OE2 F:GLU113 3.3 60.9 1.0
CD2 E:HIS7 3.5 44.3 1.0
ND1 E:HIS7 4.2 48.5 1.0
OG1 E:THR9 4.2 55.2 1.0
ND1 F:HIS67 4.3 53.8 1.0
CE1 F:TYR103 4.4 63.8 1.0
CG F:HIS67 4.4 58.7 1.0
OH F:TYR103 4.4 63.5 1.0
CG F:GLU113 4.4 68.3 1.0
CG E:HIS7 4.5 48.3 1.0
CB F:ALA69 4.6 54.2 1.0
OH F:TYR65 4.7 69.2 1.0
CB F:GLU113 4.8 67.3 1.0
CZ F:TYR103 4.9 67.9 1.0

Manganese binding site 7 out of 8 in 5vb0

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Manganese binding site 7 out of 8 in the Crystal Structure of Fosfomycin Resistance Protein FOSA3


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of Crystal Structure of Fosfomycin Resistance Protein FOSA3 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mn201

b:60.7
occ:1.00
 OE1 G:GLU113 2.1 67.3 1.0
NE2 G:HIS67 2.2 60.1 1.0
NE2 H:HIS7 2.3 51.7 1.0
CE1 H:HIS7 2.9 54.9 1.0
CD G:GLU113 3.0 63.2 1.0
CE1 G:HIS67 3.1 62.1 1.0
CD2 G:HIS67 3.2 66.3 1.0
OE2 G:GLU113 3.2 68.5 1.0
CD2 H:HIS7 3.5 47.4 1.0
OG1 H:THR9 4.0 53.7 1.0
ND1 H:HIS7 4.1 52.4 1.0
ND1 G:HIS67 4.2 55.5 1.0
CG G:HIS67 4.3 66.4 1.0
CE1 G:TYR103 4.3 66.4 1.0
OH G:TYR103 4.4 68.9 1.0
CG G:GLU113 4.4 65.9 1.0
CG H:HIS7 4.5 49.9 1.0
OH G:TYR65 4.6 66.9 1.0
CB G:ALA69 4.6 53.5 1.0
CB G:GLU113 4.8 65.2 1.0
CZ G:TYR103 4.9 74.6 1.0

Manganese binding site 8 out of 8 in 5vb0

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Manganese binding site 8 out of 8 in the Crystal Structure of Fosfomycin Resistance Protein FOSA3


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of Crystal Structure of Fosfomycin Resistance Protein FOSA3 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mn201

b:62.9
occ:1.00
 OE1 H:GLU113 2.1 68.1 1.0
NE2 H:HIS67 2.2 61.4 1.0
NE2 G:HIS7 2.4 56.1 1.0
CE1 G:HIS7 3.0 56.9 1.0
CE1 H:HIS67 3.0 62.6 1.0
CD H:GLU113 3.0 61.9 1.0
CD2 H:HIS67 3.2 65.6 1.0
OE2 H:GLU113 3.3 64.5 1.0
CD2 G:HIS7 3.6 45.6 1.0
ND1 H:HIS67 4.1 64.0 1.0
CE1 H:TYR103 4.2 70.5 1.0
ND1 G:HIS7 4.2 53.7 1.0
OH H:TYR103 4.2 76.1 1.0
CG H:HIS67 4.3 69.2 1.0
OG1 G:THR9 4.3 55.7 1.0
CG H:GLU113 4.4 69.3 1.0
CG G:HIS7 4.6 50.5 1.0
OH H:TYR65 4.6 79.7 1.0
CZ H:TYR103 4.7 75.0 1.0
CB H:ALA69 4.7 58.6 1.0
CB H:GLU113 4.8 64.3 1.0

Reference:

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
Page generated: Sun Oct 6 03:10:18 2024

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