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Fluorine in PDB 5acw: Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening

Enzymatic activity of Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening

All present enzymatic activity of Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening:
3.5.2.6;

Protein crystallography data

The structure of Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening, PDB code: 5acw was solved by T.Christopeit, T.J.O.Carlsen, R.Helland, H.K.S.Leiros, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.71 / 1.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 101.540, 79.290, 67.920, 90.00, 130.32, 90.00
R / Rfree (%) 14.2 / 19

Other elements in 5acw:

The structure of Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening also contains other interesting chemical elements:

Zinc (Zn) 6 atoms
Chlorine (Cl) 4 atoms

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening (pdb code 5acw). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening, PDB code: 5acw:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in 5acw

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Fluorine binding site 1 out of 12 in the Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1298

b:31.8
occ:0.78
 F09 A:RHU1298 0.0 31.8 0.8
C08 A:RHU1298 1.3 31.8 0.8
F11 A:RHU1298 2.1 29.1 0.8
F10 A:RHU1298 2.1 35.3 0.8
HB3 A:ASP120 2.4 23.2 1.0
C04 A:RHU1298 2.4 30.8 0.8
H07A A:RHU1298 2.8 26.0 0.8
HZ2 A:TRP87 2.9 30.3 1.0
N05 A:RHU1298 3.1 25.7 0.8
HE1 A:TRP87 3.1 25.5 1.0
CZ2 A:TRP87 3.2 25.2 1.0
H A:ASP120 3.2 20.1 1.0
O A:HOH2100 3.2 29.8 1.0
CB A:ASP120 3.2 19.3 1.0
C07 A:RHU1298 3.3 21.6 0.8
NE1 A:TRP87 3.3 21.2 1.0
CE2 A:TRP87 3.3 22.6 1.0
N03 A:RHU1298 3.5 37.7 0.8
H07 A:RHU1298 3.5 26.0 0.8
CG A:ASP120 3.6 20.6 1.0
OD1 A:ASP120 3.7 18.7 1.0
N A:ASP120 3.7 16.8 1.0
HB3 A:ASP119 3.9 31.9 1.0
HB2 A:ASP120 3.9 23.2 1.0
CA A:ASP120 4.0 18.0 1.0
CH2 A:TRP87 4.1 29.2 1.0
HA A:ASP120 4.3 21.6 1.0
OD2 A:ASP120 4.3 21.1 1.0
CD1 A:TRP87 4.3 19.1 1.0
H07B A:RHU1298 4.3 26.0 0.8
C01 A:RHU1298 4.3 26.8 0.8
CD2 A:TRP87 4.3 23.8 1.0
HB3 A:HIS118 4.4 18.1 1.0
N02 A:RHU1298 4.4 32.2 0.8
O A:HOH2150 4.5 39.5 0.8
HH2 A:TRP87 4.5 35.0 1.0
O A:OH1302 4.5 14.2 0.2
C A:ASP119 4.6 15.8 1.0
H A:ASP119 4.6 20.8 1.0
CB A:ASP119 4.8 26.6 1.0
HD1 A:TRP87 4.8 22.9 1.0
CG A:TRP87 4.8 23.3 1.0
N A:ASP119 4.9 17.4 1.0
CZ3 A:TRP87 5.0 24.6 1.0
CA A:ASP119 5.0 21.0 1.0

Fluorine binding site 2 out of 12 in 5acw

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Fluorine binding site 2 out of 12 in the Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1298

b:35.3
occ:0.78
 F10 A:RHU1298 0.0 35.3 0.8
C08 A:RHU1298 1.3 31.8 0.8
F09 A:RHU1298 2.1 31.8 0.8
F11 A:RHU1298 2.1 29.1 0.8
C04 A:RHU1298 2.4 30.8 0.8
N03 A:RHU1298 2.8 37.7 0.8
O A:HOH2150 2.8 39.5 0.8
HB3 A:HIS118 3.2 18.1 1.0
H A:ASP119 3.4 20.8 1.0
HB3 A:ASP119 3.4 31.9 1.0
H A:ASP120 3.5 20.1 1.0
N05 A:RHU1298 3.7 25.7 0.8
O A:HOH2153 3.8 15.7 1.0
O A:HOH2100 3.9 29.8 1.0
N A:ASP119 4.0 17.4 1.0
HB3 A:ASP120 4.0 23.2 1.0
N02 A:RHU1298 4.1 32.2 0.8
CB A:ASP119 4.1 26.6 1.0
CB A:HIS118 4.1 15.1 1.0
OD1 A:ASP120 4.1 18.7 1.0
N A:ASP120 4.2 16.8 1.0
HB2 A:ASP119 4.2 31.9 1.0
H07A A:RHU1298 4.4 26.0 0.8
CA A:ASP119 4.5 21.0 1.0
C07 A:RHU1298 4.5 21.6 0.8
C01 A:RHU1298 4.6 26.8 0.8
H07 A:RHU1298 4.6 26.0 0.8
HE1 A:TRP87 4.6 25.5 1.0
HB2 A:HIS118 4.6 18.1 1.0
CG A:ASP120 4.6 20.6 1.0
CG A:HIS118 4.6 13.0 1.0
O A:OH1302 4.6 14.2 0.2
CB A:ASP120 4.7 19.3 1.0
HZ2 A:TRP87 4.7 30.3 1.0
C A:ASP119 4.8 15.8 1.0
C A:HIS118 4.8 14.4 1.0
O A:HOH2001 4.8 24.0 0.2
HA A:HIS118 4.9 15.1 1.0
CA A:HIS118 4.9 12.6 1.0

Fluorine binding site 3 out of 12 in 5acw

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Fluorine binding site 3 out of 12 in the Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1298

b:29.1
occ:0.78
 F11 A:RHU1298 0.0 29.1 0.8
C08 A:RHU1298 1.3 31.8 0.8
F09 A:RHU1298 2.1 31.8 0.8
F10 A:RHU1298 2.1 35.3 0.8
C04 A:RHU1298 2.4 30.8 0.8
H07 A:RHU1298 3.0 26.0 0.8
N05 A:RHU1298 3.2 25.7 0.8
O A:HOH2150 3.3 39.5 0.8
C07 A:RHU1298 3.4 21.6 0.8
N03 A:RHU1298 3.4 37.7 0.8
H07A A:RHU1298 3.5 26.0 0.8
HZ2 A:TRP87 3.5 30.3 1.0
CZ2 A:TRP87 4.1 25.2 1.0
O A:HOH2100 4.2 29.8 1.0
C01 A:RHU1298 4.4 26.8 0.8
HB3 A:ASP120 4.4 23.2 1.0
H07B A:RHU1298 4.4 26.0 0.8
N02 A:RHU1298 4.4 32.2 0.8
HE1 A:TRP87 4.6 25.5 1.0
O A:HOH2001 4.6 24.0 0.2
O A:HOH2347 4.6 35.5 0.7
HH2 A:TRP87 4.8 35.0 1.0
CE2 A:TRP87 4.8 22.6 1.0
CH2 A:TRP87 4.9 29.2 1.0
HB3 A:HIS118 5.0 18.1 1.0
O A:OH1302 5.0 14.2 0.2
H A:ASP120 5.0 20.1 1.0
NE1 A:TRP87 5.0 21.2 1.0

Fluorine binding site 4 out of 12 in 5acw

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Fluorine binding site 4 out of 12 in the Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1299

b:32.2
occ:0.67
 F09 A:RHU1299 0.0 32.2 0.7
C08 A:RHU1299 1.3 32.7 0.7
F10 A:RHU1299 2.1 35.1 0.7
F11 A:RHU1299 2.2 24.1 0.7
C04 A:RHU1299 2.4 36.6 0.7
N05 A:RHU1299 3.1 33.8 0.7
H07A A:RHU1299 3.2 39.3 0.7
H07 A:RHU1299 3.2 39.3 0.7
O A:HOH2082 3.2 38.0 1.0
C07 A:RHU1299 3.3 32.8 0.7
N03 A:RHU1299 3.4 37.0 0.7
O A:HOH2060 3.7 35.1 1.0
CL A:CL1301 4.1 11.9 0.3
C01 A:RHU1299 4.3 33.0 0.7
N02 A:RHU1299 4.4 40.6 0.7
H07B A:RHU1299 4.4 39.3 0.7
O A:HOH2142 4.7 28.8 1.0
HB3 A:ALA135 5.0 17.4 1.0

Fluorine binding site 5 out of 12 in 5acw

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Fluorine binding site 5 out of 12 in the Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1299

b:35.1
occ:0.67
 F10 A:RHU1299 0.0 35.1 0.7
C08 A:RHU1299 1.3 32.7 0.7
F09 A:RHU1299 2.1 32.2 0.7
F11 A:RHU1299 2.1 24.1 0.7
C04 A:RHU1299 2.4 36.6 0.7
N03 A:RHU1299 2.8 37.0 0.7
O A:HOH2142 3.1 28.8 1.0
O A:HOH2060 3.2 35.1 1.0
HB3 A:ALA135 3.5 17.4 1.0
N05 A:RHU1299 3.7 33.8 0.7
CL A:CL1301 3.9 11.9 0.3
O A:HOH2082 4.0 38.0 1.0
N02 A:RHU1299 4.1 40.6 0.7
H07 A:RHU1299 4.2 39.3 0.7
CB A:ALA135 4.4 14.5 1.0
C07 A:RHU1299 4.5 32.8 0.7
O A:HOH2178 4.5 25.9 1.0
H A:ALA135 4.5 13.8 1.0
HB1 A:ALA135 4.5 17.4 1.0
C01 A:RHU1299 4.5 33.0 0.7
O A:GLY133 4.6 16.8 1.0
O A:THR110 4.6 12.5 1.0
H07A A:RHU1299 4.7 39.3 0.7
HB A:THR110 4.8 20.9 1.0

Fluorine binding site 6 out of 12 in 5acw

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Fluorine binding site 6 out of 12 in the Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1299

b:24.1
occ:0.67
 F11 A:RHU1299 0.0 24.1 0.7
C08 A:RHU1299 1.3 32.7 0.7
F10 A:RHU1299 2.1 35.1 0.7
F09 A:RHU1299 2.2 32.2 0.7
C04 A:RHU1299 2.4 36.6 0.7
H07 A:RHU1299 2.5 39.3 0.7
O A:HOH2082 3.0 38.0 1.0
N05 A:RHU1299 3.0 33.8 0.7
C07 A:RHU1299 3.2 32.8 0.7
O A:HOH2060 3.4 35.1 1.0
N03 A:RHU1299 3.5 37.0 0.7
O A:HOH2142 3.5 28.8 1.0
HB A:THR110 3.5 20.9 1.0
H07A A:RHU1299 3.6 39.3 0.7
HB3 A:ALA135 3.8 17.4 1.0
O A:THR110 3.9 12.5 1.0
HB1 A:ALA135 4.0 17.4 1.0
HG2 A:ARG111 4.0 19.5 1.0
H07B A:RHU1299 4.1 39.3 0.7
CL A:CL1301 4.1 11.9 0.3
HG3 A:ARG111 4.2 19.5 1.0
C01 A:RHU1299 4.3 33.0 0.7
CB A:ALA135 4.3 14.5 1.0
N02 A:RHU1299 4.4 40.6 0.7
HD3 A:ARG111 4.4 23.6 1.0
CB A:THR110 4.5 17.5 1.0
CG A:ARG111 4.5 16.3 1.0
C A:THR110 4.6 12.7 1.0
H A:ALA135 4.7 13.8 1.0
HA A:THR110 4.9 14.1 1.0
HB2 A:ALA135 4.9 17.4 1.0
CA A:THR110 5.0 11.8 1.0

Fluorine binding site 7 out of 12 in 5acw

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Fluorine binding site 7 out of 12 in the Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1298

b:27.6
occ:0.68
 F09 B:RHU1298 0.0 27.6 0.7
C08 B:RHU1298 1.3 28.0 0.7
F10 B:RHU1298 2.1 29.1 0.7
F11 B:RHU1298 2.1 25.1 0.7
C04 B:RHU1298 2.4 29.2 0.7
H07 B:RHU1298 3.0 23.3 0.7
N05 B:RHU1298 3.2 28.6 0.7
N03 B:RHU1298 3.4 35.5 0.7
HZ2 B:TRP87 3.4 33.9 1.0
C07 B:RHU1298 3.5 19.4 0.7
HE1 B:PHE61 3.5 41.7 1.0
CE1 B:PHE61 3.6 34.8 1.0
H07A B:RHU1298 3.8 23.3 0.7
CD1 B:PHE61 3.9 31.9 0.6
CZ2 B:TRP87 4.0 28.2 1.0
HD1 B:PHE61 4.0 38.2 0.9
O B:HOH2087 4.1 25.5 1.0
CZ B:PHE61 4.2 33.0 0.5
HD21 B:ASN233 4.2 64.7 0.9
C01 B:RHU1298 4.4 35.5 0.7
HZ B:PHE61 4.4 39.6 0.6
N02 B:RHU1298 4.4 39.4 0.7
O B:HOH2136 4.4 72.7 1.0
HB3 B:ASP120 4.4 33.6 1.0
H07B B:RHU1298 4.5 23.3 0.7
O B:HOH2327 4.5 20.5 0.4
HE1 B:TRP87 4.5 28.1 1.0
HH2 B:TRP87 4.6 34.3 1.0
O B:HOH2140 4.6 32.9 1.0
CG B:PHE61 4.7 31.3 0.4
CH2 B:TRP87 4.7 28.6 1.0
CE2 B:TRP87 4.7 25.1 1.0
O B:HOH2001 4.7 7.7 0.3
CE2 B:PHE61 4.9 34.0 0.4
NE1 B:TRP87 4.9 23.4 1.0
H B:ASP120 4.9 32.3 1.0
O B:OH1302 4.9 14.0 0.3
HB3 B:HIS118 4.9 21.3 1.0

Fluorine binding site 8 out of 12 in 5acw

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Fluorine binding site 8 out of 12 in the Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1298

b:29.1
occ:0.68
 F10 B:RHU1298 0.0 29.1 0.7
C08 B:RHU1298 1.3 28.0 0.7
F11 B:RHU1298 2.1 25.1 0.7
F09 B:RHU1298 2.1 27.6 0.7
C04 B:RHU1298 2.4 29.2 0.7
HB3 B:ASP120 2.4 33.6 1.0
H07A B:RHU1298 2.9 23.3 0.7
HZ2 B:TRP87 3.1 33.9 1.0
H B:ASP120 3.1 32.3 1.0
N05 B:RHU1298 3.1 28.6 0.7
HE1 B:TRP87 3.2 28.1 1.0
H07 B:RHU1298 3.2 23.3 0.7
C07 B:RHU1298 3.2 19.4 0.7
CB B:ASP120 3.2 28.1 1.0
CZ2 B:TRP87 3.2 28.2 1.0
CE2 B:TRP87 3.3 25.1 1.0
NE1 B:TRP87 3.3 23.4 1.0
O B:HOH2087 3.4 25.5 1.0
CG B:ASP120 3.5 22.6 1.0
N03 B:RHU1298 3.5 35.5 0.7
OD1 B:ASP120 3.6 24.9 1.0
N B:ASP120 3.6 26.9 1.0
CA B:ASP120 4.0 29.8 1.0
HB2 B:ASP120 4.0 33.6 1.0
HB3 B:ASP119 4.0 39.6 1.0
CH2 B:TRP87 4.1 28.6 1.0
OD2 B:ASP120 4.1 20.6 1.0
HA B:ASP120 4.2 35.8 1.0
CD2 B:TRP87 4.3 25.6 1.0
CD1 B:TRP87 4.3 23.8 1.0
HB3 B:HIS118 4.3 21.3 1.0
H07B B:RHU1298 4.3 23.3 0.7
C01 B:RHU1298 4.3 35.5 0.7
O B:HOH2140 4.4 32.9 1.0
H B:ASP119 4.5 24.0 1.0
HH2 B:TRP87 4.5 34.3 1.0
N02 B:RHU1298 4.5 39.4 0.7
O B:OH1302 4.5 14.0 0.3
C B:ASP119 4.6 26.5 1.0
HD1 B:TRP87 4.8 28.6 1.0
CG B:TRP87 4.8 29.0 1.0
N B:ASP119 4.8 20.0 1.0
CB B:ASP119 4.8 33.0 1.0
CZ3 B:TRP87 4.9 29.3 1.0
HO B:OH1302 4.9 16.8 0.3
CA B:ASP119 5.0 24.4 1.0
CE3 B:TRP87 5.0 28.2 1.0

Fluorine binding site 9 out of 12 in 5acw

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Fluorine binding site 9 out of 12 in the Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1298

b:25.1
occ:0.68
 F11 B:RHU1298 0.0 25.1 0.7
C08 B:RHU1298 1.3 28.0 0.7
F10 B:RHU1298 2.1 29.1 0.7
F09 B:RHU1298 2.1 27.6 0.7
C04 B:RHU1298 2.3 29.2 0.7
O B:HOH2140 2.6 32.9 1.0
N03 B:RHU1298 2.7 35.5 0.7
HB3 B:HIS118 3.1 21.3 1.0
H B:ASP119 3.4 24.0 1.0
H B:ASP120 3.5 32.3 1.0
N05 B:RHU1298 3.7 28.6 0.7
HB3 B:ASP119 3.7 39.6 1.0
O B:HOH2059 3.8 34.4 1.0
O B:HOH2136 3.9 72.7 1.0
N02 B:RHU1298 4.0 39.4 0.7
N B:ASP119 4.0 20.0 1.0
CB B:HIS118 4.0 17.7 1.0
OD1 B:ASP120 4.1 24.9 1.0
O B:HOH2087 4.1 25.5 1.0
HB3 B:ASP120 4.2 33.6 1.0
N B:ASP120 4.2 26.9 1.0
CB B:ASP119 4.4 33.0 1.0
HB2 B:ASP119 4.4 39.6 1.0
HD21 B:ASN233 4.4 64.7 0.9
H07 B:RHU1298 4.5 23.3 0.7
C07 B:RHU1298 4.5 19.4 0.7
O B:OH1302 4.5 14.0 0.3
C01 B:RHU1298 4.5 35.5 0.7
O B:HOH2139 4.5 20.7 1.0
O B:HOH2001 4.5 7.7 0.3
H07A B:RHU1298 4.5 23.3 0.7
HB2 B:HIS118 4.5 21.3 1.0
CG B:HIS118 4.5 18.3 1.0
CG B:ASP120 4.6 22.6 1.0
CA B:ASP119 4.6 24.4 1.0
HE1 B:TRP87 4.7 28.1 1.0
C B:HIS118 4.7 18.2 1.0
CB B:ASP120 4.8 28.1 1.0
HZ2 B:TRP87 4.8 33.9 1.0
HA B:HIS118 4.8 21.1 1.0
CA B:HIS118 4.8 17.6 1.0
HO B:OH1302 4.9 16.8 0.3
C B:ASP119 4.9 26.5 1.0
HE1 B:PHE61 4.9 41.7 1.0
ND1 B:HIS118 4.9 19.4 1.0

Fluorine binding site 10 out of 12 in 5acw

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Fluorine binding site 10 out of 12 in the Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Vim-2-1, Discovery of Novel Inhibitor Scaffolds Against the Metallo- Beta-Lactamase Vim-2 By Spr Based Fragment Screening within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1299

b:43.0
occ:0.69
 F09 B:RHU1299 0.0 43.0 0.7
C08 B:RHU1299 1.3 44.0 0.7
F10 B:RHU1299 2.1 50.1 0.7
F11 B:RHU1299 2.1 45.5 0.7
C04 B:RHU1299 2.3 41.7 0.7
H07A B:RHU1299 2.9 48.4 0.7
N05 B:RHU1299 3.0 41.4 0.7
C07 B:RHU1299 3.2 40.3 0.7
H07 B:RHU1299 3.2 48.4 0.7
N03 B:RHU1299 3.4 44.5 0.7
O B:HOH2081 3.9 34.2 1.0
O B:HOH2055 4.1 40.9 1.0
C01 B:RHU1299 4.2 40.5 0.7
H07B B:RHU1299 4.3 48.4 0.7
CL B:CL1301 4.3 11.3 0.3
N02 B:RHU1299 4.3 43.6 0.7
O B:HOH2126 4.8 20.0 1.0

Reference:

T.Christopeit, T.J.O.Carlsen, R.Helland, H.K.S.Leiros. Discovery of Novel Inhibitor Scaffolds Against the Metallo-Beta-Lactamase Vim-2 By Spr Based Fragment Screening J.Med.Chem. V. 58 8671 2015.
ISSN: ISSN 0022-2623
PubMed: 26477515
DOI: 10.1021/ACS.JMEDCHEM.5B01289
Page generated: Thu Aug 1 07:40:04 2024

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