Fluorine in PDB 5uuv: Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182

Enzymatic activity of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182

All present enzymatic activity of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182:
1.1.1.205;

Protein crystallography data

The structure of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182, PDB code: 5uuv was solved by Y.Kim, N.Maltseva, R.Mulligan, M.Makowska-Grzyska, M.Gu, D.Gollapalli, L.Hedstrom, W.F.Anderson, A.Joachimiak, Center For Structural Genomicsof Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.67 / 2.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 85.281, 89.164, 164.297, 90.00, 90.00, 90.00
R / Rfree (%) 19.4 / 24.2

Other elements in 5uuv:

The structure of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182 also contains other interesting chemical elements:

Potassium (K) 4 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 Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182 (pdb code 5uuv). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182, PDB code: 5uuv:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in 5uuv

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Fluorine binding site 1 out of 12 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F502

b:87.9
occ:1.00
 F1 A:8L1502 0.0 87.9 1.0
C29 A:8L1502 1.3 86.5 1.0
F2 A:8L1502 2.2 89.0 1.0
F3 A:8L1502 2.2 87.7 1.0
C27 A:8L1502 2.3 81.6 1.0
C26 A:8L1502 2.6 80.8 1.0
N5 A:8L1502 3.6 77.0 1.0
CG1 A:VAL229 4.0 68.8 1.0
CB A:VAL229 4.1 66.3 1.0
S A:8L1502 4.3 79.9 1.0
CG2 A:VAL260 4.4 56.5 1.0
C24 A:8L1502 4.5 72.2 1.0
O A:VAL229 4.6 70.5 1.0
CG2 A:VAL229 4.8 64.8 1.0
OG A:SER257 4.8 64.0 1.0
N A:VAL260 4.9 58.4 1.0
CD2 D:LEU26 4.9 62.0 1.0
C A:GLY259 4.9 62.9 1.0
CA A:GLY259 4.9 56.8 1.0
CG2 A:THR252 5.0 68.3 1.0

Fluorine binding site 2 out of 12 in 5uuv

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Fluorine binding site 2 out of 12 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F502

b:89.0
occ:1.00
 F2 A:8L1502 0.0 89.0 1.0
C29 A:8L1502 1.3 86.5 1.0
F1 A:8L1502 2.2 87.9 1.0
F3 A:8L1502 2.2 87.7 1.0
C27 A:8L1502 2.3 81.6 1.0
N5 A:8L1502 3.0 77.0 1.0
CG2 A:THR252 3.1 68.3 1.0
CG2 A:VAL260 3.2 56.5 1.0
C26 A:8L1502 3.3 80.8 1.0
CB A:THR252 3.5 67.9 1.0
CB A:VAL229 4.1 66.3 1.0
C24 A:8L1502 4.1 72.2 1.0
OG1 A:THR252 4.2 70.0 1.0
CG2 A:VAL229 4.2 64.8 1.0
S A:8L1502 4.5 79.9 1.0
O A:HIS254 4.6 54.4 1.0
CG1 A:VAL229 4.6 68.8 1.0
CB A:VAL260 4.6 54.6 1.0
CA A:THR252 4.8 68.0 1.0
CB A:SER257 4.9 57.7 1.0
N A:VAL260 4.9 58.4 1.0

Fluorine binding site 3 out of 12 in 5uuv

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Fluorine binding site 3 out of 12 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F502

b:87.7
occ:1.00
 F3 A:8L1502 0.0 87.7 1.0
C29 A:8L1502 1.3 86.5 1.0
F2 A:8L1502 2.2 89.0 1.0
F1 A:8L1502 2.2 87.9 1.0
C27 A:8L1502 2.3 81.6 1.0
N5 A:8L1502 2.8 77.0 1.0
C26 A:8L1502 3.4 80.8 1.0
C24 A:8L1502 4.1 72.2 1.0
CG2 A:THR252 4.3 68.3 1.0
O A:VAL229 4.3 70.5 1.0
CB A:VAL229 4.4 66.3 1.0
S A:8L1502 4.6 79.9 1.0
CB A:THR252 4.8 67.9 1.0
CG1 A:VAL229 4.9 68.8 1.0

Fluorine binding site 4 out of 12 in 5uuv

Go back to Fluorine Binding Sites List in 5uuv
Fluorine binding site 4 out of 12 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F502

b:0.0
occ:1.00
 F1 B:8L1502 0.0 0.0 1.0
C29 B:8L1502 1.3 0.2 1.0
F2 B:8L1502 2.2 0.7 1.0
F3 B:8L1502 2.2 0.8 1.0
C27 B:8L1502 2.3 97.1 1.0
N5 B:8L1502 3.0 93.4 1.0
C26 B:8L1502 3.2 93.8 1.0
C24 B:8L1502 4.2 87.2 1.0
S B:8L1502 4.5 91.6 1.0

Fluorine binding site 5 out of 12 in 5uuv

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Fluorine binding site 5 out of 12 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F502

b:0.7
occ:1.00
 F2 B:8L1502 0.0 0.7 1.0
C29 B:8L1502 1.3 0.2 1.0
F1 B:8L1502 2.2 0.0 1.0
F3 B:8L1502 2.2 0.8 1.0
C27 B:8L1502 2.3 97.1 1.0
C26 B:8L1502 2.6 93.8 1.0
N5 B:8L1502 3.5 93.4 1.0
CB B:VAL229 3.9 63.6 1.0
CG2 B:VAL260 4.0 48.1 1.0
CG1 B:VAL229 4.2 69.9 1.0
CG2 B:THR252 4.2 81.3 1.0
S B:8L1502 4.3 91.6 1.0
CG2 B:VAL229 4.4 62.8 1.0
C24 B:8L1502 4.5 87.2 1.0
CB B:THR252 4.8 77.8 1.0
OG1 B:THR252 5.0 75.9 1.0

Fluorine binding site 6 out of 12 in 5uuv

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Fluorine binding site 6 out of 12 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F502

b:0.8
occ:1.00
 F3 B:8L1502 0.0 0.8 1.0
C29 B:8L1502 1.3 0.2 1.0
F1 B:8L1502 2.2 0.0 1.0
F2 B:8L1502 2.2 0.7 1.0
C27 B:8L1502 2.3 97.1 1.0
N5 B:8L1502 2.8 93.4 1.0
CG2 B:THR252 3.2 81.3 1.0
C26 B:8L1502 3.5 93.8 1.0
CB B:THR252 3.6 77.8 1.0
C24 B:8L1502 4.0 87.2 1.0
OG1 B:THR252 4.4 75.9 1.0
S B:8L1502 4.6 91.6 1.0
CB B:VAL229 4.7 63.6 1.0
CA B:THR252 4.8 73.8 1.0
CG2 B:VAL229 4.9 62.8 1.0
CG2 B:VAL260 5.0 48.1 1.0

Fluorine binding site 7 out of 12 in 5uuv

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Fluorine binding site 7 out of 12 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F502

b:86.2
occ:1.00
 F1 C:8L1502 0.0 86.2 1.0
C29 C:8L1502 1.3 85.8 1.0
F3 C:8L1502 2.2 87.2 1.0
F2 C:8L1502 2.2 86.6 1.0
C27 C:8L1502 2.3 81.8 1.0
N5 C:8L1502 2.8 79.8 1.0
C26 C:8L1502 3.4 79.1 1.0
C24 C:8L1502 4.1 75.4 1.0
CD2 A:LEU26 4.4 66.7 1.0
O C:VAL229 4.5 80.5 1.0
S C:8L1502 4.6 80.1 1.0

Fluorine binding site 8 out of 12 in 5uuv

Go back to Fluorine Binding Sites List in 5uuv
Fluorine binding site 8 out of 12 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F502

b:86.6
occ:1.00
 F2 C:8L1502 0.0 86.6 1.0
C29 C:8L1502 1.3 85.8 1.0
F3 C:8L1502 2.2 87.2 1.0
F1 C:8L1502 2.2 86.2 1.0
C27 C:8L1502 2.3 81.8 1.0
C26 C:8L1502 2.6 79.1 1.0
N5 C:8L1502 3.6 79.8 1.0
CG1 C:VAL229 4.0 63.0 1.0
CB C:VAL229 4.0 60.8 1.0
O C:VAL229 4.2 80.5 1.0
S C:8L1502 4.3 80.1 1.0
CG2 C:VAL260 4.4 57.2 1.0
C24 C:8L1502 4.5 75.4 1.0
CD2 A:LEU26 4.6 66.7 1.0
OG C:SER257 4.7 73.3 1.0
CG2 C:VAL229 4.8 55.4 1.0
N C:VAL260 5.0 62.6 1.0
CG2 C:THR252 5.0 86.7 1.0

Fluorine binding site 9 out of 12 in 5uuv

Go back to Fluorine Binding Sites List in 5uuv
Fluorine binding site 9 out of 12 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F502

b:87.2
occ:1.00
 F3 C:8L1502 0.0 87.2 1.0
C29 C:8L1502 1.3 85.8 1.0
F2 C:8L1502 2.2 86.6 1.0
F1 C:8L1502 2.2 86.2 1.0
C27 C:8L1502 2.3 81.8 1.0
N5 C:8L1502 3.0 79.8 1.0
CG2 C:THR252 3.3 86.7 1.0
C26 C:8L1502 3.3 79.1 1.0
CB C:THR252 3.8 82.3 1.0
CB C:VAL229 4.0 60.8 1.0
C24 C:8L1502 4.2 75.4 1.0
CG2 C:VAL229 4.4 55.4 1.0
OG1 C:THR252 4.5 81.0 1.0
O C:VAL229 4.5 80.5 1.0
S C:8L1502 4.5 80.1 1.0
CG2 C:VAL260 4.6 57.2 1.0
CG1 C:VAL229 4.7 63.0 1.0
CA C:VAL229 4.9 67.4 1.0
N C:VAL229 4.9 64.0 1.0

Fluorine binding site 10 out of 12 in 5uuv

Go back to Fluorine Binding Sites List in 5uuv
Fluorine binding site 10 out of 12 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F501

b:95.2
occ:1.00
 F1 D:8L1501 0.0 95.2 1.0
C29 D:8L1501 1.3 92.5 1.0
F2 D:8L1501 2.2 93.1 1.0
F3 D:8L1501 2.2 93.2 1.0
C27 D:8L1501 2.3 88.2 1.0
N5 D:8L1501 2.9 84.5 1.0
C26 D:8L1501 3.3 86.9 1.0
C24 D:8L1501 4.1 79.2 1.0
O D:VAL229 4.3 73.1 1.0
S D:8L1501 4.6 84.4 1.0
CD2 B:LEU26 4.6 53.8 1.0

Reference:

Y.Kim, N.Maltseva, R.Mulligan, M.Makowska-Grzyska, M.Gu, D.Gollapalli, L.Hedstrom, W.F.Anderson, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with A Product Imp and the Inhibitor P182 To Be Published.
Page generated: Sun Dec 13 12:39:49 2020

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