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Chlorine 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:

Fluorine (F) 12 atoms
Potassium (K) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine 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 Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5uuv

Go back to Chlorine Binding Sites List in 5uuv
Chlorine binding site 1 out of 4 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 Chlorine with other atoms in the Cl 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:Cl502

b:65.3
occ:1.00
CL A:8L1502 0.0 65.3 1.0
C20 A:8L1502 1.8 61.4 1.0
C21 A:8L1502 2.7 54.8 1.0
C19 A:8L1502 2.8 63.8 1.0
S A:8L1502 3.1 79.9 1.0
O D:GLY444 3.2 40.3 1.0
C24 A:8L1502 3.3 72.2 1.0
C D:GLY444 3.3 43.5 1.0
CA D:GLY444 3.7 39.1 1.0
CD2 A:HIS254 3.8 49.1 1.0
CB A:HIS254 3.8 49.1 1.0
N D:TYR445 3.8 40.0 1.0
C22 A:8L1502 4.0 53.6 1.0
C18 A:8L1502 4.1 56.7 1.0
CG A:HIS254 4.1 49.5 1.0
OG D:SER23 4.2 65.4 1.0
CA D:TYR445 4.3 44.9 1.0
CD D:PRO27 4.4 52.8 1.0
O D:VAL25 4.4 68.5 1.0
CG D:PRO27 4.5 44.2 1.0
N5 A:8L1502 4.5 77.0 1.0
C17 A:8L1502 4.6 53.8 1.0
C26 A:8L1502 4.6 80.8 1.0
CB D:SER23 4.8 64.3 1.0
O D:ALA441 4.9 36.7 1.0
N D:GLY444 5.0 47.6 1.0
CD1 D:TYR445 5.0 39.8 1.0

Chlorine binding site 2 out of 4 in 5uuv

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Chlorine binding site 2 out of 4 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 Chlorine with other atoms in the Cl 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
B:Cl502

b:73.8
occ:1.00
CL B:8L1502 0.0 73.8 1.0
C20 B:8L1502 1.8 72.8 1.0
C21 B:8L1502 2.7 69.5 1.0
C19 B:8L1502 2.8 76.9 1.0
S B:8L1502 3.0 91.6 1.0
O C:GLY444 3.2 46.0 1.0
C C:GLY444 3.4 43.8 1.0
C24 B:8L1502 3.4 87.2 1.0
CA C:GLY444 3.8 36.4 1.0
CD2 B:HIS254 3.8 56.2 1.0
CB B:HIS254 3.8 57.4 1.0
N C:TYR445 3.9 47.7 1.0
C22 B:8L1502 4.0 66.5 1.0
C18 B:8L1502 4.1 70.8 1.0
CG B:HIS254 4.1 56.5 1.0
CD C:PRO27 4.1 52.3 1.0
OG C:SER23 4.2 44.6 1.0
CG C:PRO27 4.2 45.1 1.0
CA C:TYR445 4.4 50.8 1.0
O C:VAL25 4.4 59.5 1.0
C17 B:8L1502 4.6 66.1 1.0
CB C:SER23 4.6 48.5 1.0
N5 B:8L1502 4.7 93.4 1.0
C26 B:8L1502 4.8 93.8 1.0
CD1 C:TYR445 4.9 52.9 1.0

Chlorine binding site 3 out of 4 in 5uuv

Go back to Chlorine Binding Sites List in 5uuv
Chlorine binding site 3 out of 4 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 Chlorine with other atoms in the Cl 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
C:Cl502

b:64.0
occ:1.00
CL C:8L1502 0.0 64.0 1.0
C20 C:8L1502 1.8 62.9 1.0
C21 C:8L1502 2.7 58.9 1.0
C19 C:8L1502 2.8 65.4 1.0
S C:8L1502 3.0 80.1 1.0
O A:GLY444 3.2 57.1 1.0
C A:GLY444 3.3 53.2 1.0
C24 C:8L1502 3.3 75.4 1.0
CA A:GLY444 3.6 49.4 1.0
CD2 C:HIS254 3.8 49.5 1.0
N A:TYR445 3.9 51.5 1.0
C22 C:8L1502 4.0 53.7 1.0
CB C:HIS254 4.0 44.6 1.0
C18 C:8L1502 4.1 57.7 1.0
O A:VAL25 4.2 58.1 1.0
CG C:HIS254 4.2 47.0 1.0
CD A:PRO27 4.3 55.6 1.0
CA A:TYR445 4.4 47.7 1.0
OG A:SER23 4.5 55.1 1.0
CG A:PRO27 4.5 55.6 1.0
C17 C:8L1502 4.6 51.6 1.0
N5 C:8L1502 4.7 79.8 1.0
C26 C:8L1502 4.7 79.1 1.0
CB A:SER23 4.8 59.3 1.0
N A:GLY444 4.9 48.8 1.0
NE2 C:HIS254 5.0 50.1 1.0

Chlorine binding site 4 out of 4 in 5uuv

Go back to Chlorine Binding Sites List in 5uuv
Chlorine binding site 4 out of 4 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 Chlorine with other atoms in the Cl 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
D:Cl501

b:66.0
occ:1.00
CL D:8L1501 0.0 66.0 1.0
C20 D:8L1501 1.8 63.8 1.0
C21 D:8L1501 2.7 58.2 1.0
C19 D:8L1501 2.8 69.0 1.0
S D:8L1501 3.0 84.4 1.0
O B:GLY444 3.3 50.2 1.0
C24 D:8L1501 3.4 79.2 1.0
C B:GLY444 3.4 42.9 1.0
CA B:GLY444 3.8 43.4 1.0
CD2 D:HIS254 3.8 52.3 1.0
CB D:HIS254 3.8 44.7 1.0
N B:TYR445 4.0 44.8 1.0
C22 D:8L1501 4.0 57.2 1.0
C18 D:8L1501 4.1 60.6 1.0
CG D:HIS254 4.1 50.4 1.0
CD B:PRO27 4.2 49.3 1.0
O B:VAL25 4.4 59.5 1.0
OG B:SER23 4.4 45.5 1.0
CA B:TYR445 4.5 42.9 1.0
C17 D:8L1501 4.6 56.5 1.0
N5 D:8L1501 4.7 84.5 1.0
C26 D:8L1501 4.8 86.9 1.0
CB B:SER23 5.0 48.0 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: Fri Jul 26 18:23:36 2024

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