Chlorine in PDB 5uuw: Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with Imp and the Inhibitor P221

Enzymatic activity of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with Imp and the Inhibitor P221

All present enzymatic activity of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with Imp and the Inhibitor P221:
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 Imp and the Inhibitor P221, PDB code: 5uuw was solved by Y.Kim, N.Maltseva, M.Makowska-Grzyska, M.Gu, D.Gollapalli, L.Hedstrom, W.F.Anderson, A.Joachimiak, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.68 / 2.34
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 83.270, 89.334, 104.334, 98.89, 90.40, 96.01
R / Rfree (%) 22.7 / 27.1

Other elements in 5uuw:

The structure of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with Imp and the Inhibitor P221 also contains other interesting chemical elements:

Potassium (K) 9 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 Imp and the Inhibitor P221 (pdb code 5uuw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 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 Imp and the Inhibitor P221, PDB code: 5uuw:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 5uuw

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Chlorine binding site 1 out of 8 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with Imp and the Inhibitor P221


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 Imp and the Inhibitor P221 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:53.5
occ:1.00
CL1 A:8N1502 0.0 53.5 1.0
C20 A:8N1502 1.8 50.5 1.0
C21 A:8N1502 2.7 48.8 1.0
C19 A:8N1502 2.8 44.6 1.0
N1 A:8N1502 2.8 57.3 1.0
O C:GLY444 3.3 22.9 1.0
C C:GLY444 3.5 24.6 1.0
CD2 A:HIS254 3.7 29.2 1.0
CB A:HIS254 3.8 32.6 1.0
CA C:GLY444 4.0 28.4 1.0
C22 A:8N1502 4.0 43.7 1.0
C18 A:8N1502 4.1 41.0 1.0
CG A:HIS254 4.1 30.0 1.0
N C:TYR445 4.2 24.9 1.0
C24 A:8N1502 4.2 66.2 1.0
OG C:SER23 4.3 40.6 1.0
CD C:PRO27 4.3 31.9 1.0
O C:VAL25 4.4 44.6 1.0
C25 A:8N1502 4.5 69.0 1.0
CG C:PRO27 4.5 27.7 1.0
C17 A:8N1502 4.6 42.3 1.0
CB C:SER23 4.6 37.5 1.0
CA C:TYR445 4.6 24.8 1.0
NE2 A:HIS254 4.9 29.6 1.0
O3 A:8N1502 5.0 73.3 1.0

Chlorine binding site 2 out of 8 in 5uuw

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Chlorine binding site 2 out of 8 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with Imp and the Inhibitor P221


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 Imp and the Inhibitor P221 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:52.3
occ:1.00
CL1 B:8N1501 0.0 52.3 1.0
C20 B:8N1501 1.8 51.2 1.0
C21 B:8N1501 2.8 50.5 1.0
C19 B:8N1501 2.8 48.5 1.0
N1 B:8N1501 2.9 54.8 1.0
O A:GLY444 3.3 42.4 1.0
C A:GLY444 3.3 38.1 1.0
CA A:GLY444 3.6 34.3 1.0
CD2 B:HIS254 3.7 31.2 1.0
CB B:HIS254 3.9 30.9 1.0
N A:TYR445 4.0 26.7 1.0
CD A:PRO27 4.0 32.1 1.0
C18 B:8N1501 4.1 45.3 1.0
C22 B:8N1501 4.1 46.6 1.0
CG B:HIS254 4.1 34.4 1.0
O A:VAL25 4.3 56.1 1.0
CG A:PRO27 4.3 30.6 1.0
C24 B:8N1501 4.4 60.8 1.0
OG A:SER23 4.4 52.8 1.0
CA A:TYR445 4.6 27.4 1.0
C17 B:8N1501 4.6 44.8 1.0
C25 B:8N1501 4.8 63.4 1.0
NE2 B:HIS254 4.9 31.4 1.0
N A:GLY444 4.9 31.5 1.0
CB A:SER23 4.9 48.9 1.0
N A:PRO27 5.0 36.5 1.0

Chlorine binding site 3 out of 8 in 5uuw

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Chlorine binding site 3 out of 8 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with Imp and the Inhibitor P221


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 Imp and the Inhibitor P221 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl502

b:46.1
occ:1.00
CL1 C:8N1502 0.0 46.1 1.0
C20 C:8N1502 1.8 42.4 1.0
C19 C:8N1502 2.8 37.0 1.0
C21 C:8N1502 2.8 43.0 1.0
N1 C:8N1502 3.0 50.3 1.0
O D:GLY444 3.2 39.8 1.0
C D:GLY444 3.4 38.1 1.0
CD2 C:HIS254 3.7 44.3 1.0
CA D:GLY444 3.7 37.8 1.0
CB C:HIS254 3.9 40.7 1.0
OG D:SER23 3.9 48.1 1.0
N D:TYR445 3.9 36.7 1.0
OG C:SER257 4.0 58.1 1.0
C18 C:8N1502 4.1 34.4 1.0
C22 C:8N1502 4.1 39.0 1.0
CG C:HIS254 4.1 42.4 1.0
CD D:PRO27 4.3 49.9 1.0
O D:VAL25 4.3 81.2 1.0
C24 C:8N1502 4.4 58.5 1.0
CB D:SER23 4.4 40.6 1.0
CA D:TYR445 4.4 43.5 1.0
CG D:PRO27 4.6 39.1 1.0
C17 C:8N1502 4.6 37.4 1.0
C25 C:8N1502 4.8 62.2 1.0
NE2 C:HIS254 4.9 44.8 1.0

Chlorine binding site 4 out of 8 in 5uuw

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Chlorine binding site 4 out of 8 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with Imp and the Inhibitor P221


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 Imp and the Inhibitor P221 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl502

b:58.2
occ:1.00
CL1 D:8N1502 0.0 58.2 1.0
C20 D:8N1502 1.8 53.2 1.0
C21 D:8N1502 2.7 55.5 1.0
C19 D:8N1502 2.8 49.8 1.0
N1 D:8N1502 2.8 62.5 1.0
O B:GLY444 3.4 42.3 1.0
C B:GLY444 3.5 38.2 1.0
CD2 D:HIS254 3.7 41.6 1.0
CB D:HIS254 3.8 42.1 1.0
CA B:GLY444 3.8 38.9 1.0
C22 D:8N1502 4.0 52.0 1.0
CG D:HIS254 4.0 41.9 1.0
C18 D:8N1502 4.1 51.2 1.0
N B:TYR445 4.1 33.1 1.0
CD B:PRO27 4.1 45.0 1.0
CG B:PRO27 4.2 41.4 1.0
C24 D:8N1502 4.3 69.2 1.0
OG B:SER23 4.4 42.9 1.0
O B:VAL25 4.5 58.8 1.0
C17 D:8N1502 4.6 50.2 1.0
CA B:TYR445 4.6 35.1 1.0
C25 D:8N1502 4.7 73.2 1.0
O4 D:8N1502 4.8 75.2 1.0
CB B:SER23 4.8 41.0 1.0
NE2 D:HIS254 4.9 41.4 1.0

Chlorine binding site 5 out of 8 in 5uuw

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Chlorine binding site 5 out of 8 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with Imp and the Inhibitor P221


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with Imp and the Inhibitor P221 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl502

b:73.9
occ:1.00
CL1 E:8N1502 0.0 73.9 1.0
C20 E:8N1502 1.8 69.8 1.0
C21 E:8N1502 2.7 71.6 1.0
C19 E:8N1502 2.8 64.1 1.0
N1 E:8N1502 2.9 77.8 1.0
O G:GLY444 3.1 47.0 1.0
C G:GLY444 3.4 45.9 1.0
CD2 E:HIS254 3.6 58.5 1.0
CB E:HIS254 3.7 58.8 1.0
CA G:GLY444 3.7 49.0 1.0
CG E:HIS254 3.9 58.3 1.0
N G:TYR445 4.0 44.8 1.0
C22 E:8N1502 4.0 64.5 1.0
C18 E:8N1502 4.1 60.2 1.0
CD G:PRO27 4.1 73.8 1.0
OG G:SER23 4.2 68.6 1.0
C24 E:8N1502 4.3 84.0 1.0
CG G:PRO27 4.3 48.0 1.0
O G:VAL25 4.4 63.7 1.0
CA G:TYR445 4.5 45.0 1.0
C17 E:8N1502 4.6 60.7 1.0
C25 E:8N1502 4.7 87.9 1.0
CB G:SER23 4.8 67.4 1.0
NE2 E:HIS254 4.8 57.8 1.0

Chlorine binding site 6 out of 8 in 5uuw

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Chlorine binding site 6 out of 8 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with Imp and the Inhibitor P221


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with Imp and the Inhibitor P221 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl502

b:77.2
occ:1.00
CL1 F:8N1502 0.0 77.2 1.0
C20 F:8N1502 1.8 68.5 1.0
C21 F:8N1502 2.7 68.0 1.0
C19 F:8N1502 2.8 64.7 1.0
N1 F:8N1502 2.9 75.7 1.0
O E:GLY444 3.2 54.5 1.0
C E:GLY444 3.5 51.3 1.0
CB F:HIS254 3.7 51.3 1.0
CD2 F:HIS254 3.8 55.2 1.0
CA E:GLY444 3.9 51.8 1.0
N E:TYR445 4.0 48.5 1.0
C18 F:8N1502 4.1 63.9 1.0
C22 F:8N1502 4.1 63.0 1.0
CD E:PRO27 4.1 67.0 1.0
CG F:HIS254 4.1 53.3 1.0
C24 F:8N1502 4.3 80.7 1.0
O E:VAL25 4.3 93.0 1.0
OG E:SER23 4.3 66.7 1.0
CA E:TYR445 4.4 48.2 1.0
C25 F:8N1502 4.5 83.9 1.0
C17 F:8N1502 4.6 61.0 1.0
CG E:PRO27 4.6 63.3 1.0
CB E:SER23 4.6 65.8 1.0
O4 F:8N1502 4.7 87.0 1.0
CA E:LEU26 4.8 81.7 1.0

Chlorine binding site 7 out of 8 in 5uuw

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Chlorine binding site 7 out of 8 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with Imp and the Inhibitor P221


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with Imp and the Inhibitor P221 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl502

b:49.1
occ:1.00
CL1 G:8N1502 0.0 49.1 1.0
C20 G:8N1502 1.8 44.7 1.0
C21 G:8N1502 2.7 47.2 1.0
C19 G:8N1502 2.8 40.8 1.0
N1 G:8N1502 2.9 55.0 1.0
O H:GLY444 3.2 39.6 1.0
C H:GLY444 3.2 35.8 1.0
CA H:GLY444 3.6 33.7 1.0
CD2 G:HIS254 3.8 38.7 1.0
CB G:HIS254 3.8 29.0 1.0
N H:TYR445 3.8 29.9 1.0
C18 G:8N1502 4.0 42.0 1.0
C22 G:8N1502 4.0 41.9 1.0
CG G:HIS254 4.1 35.7 1.0
CG H:PRO27 4.1 37.2 1.0
CD H:PRO27 4.1 43.4 1.0
C24 G:8N1502 4.3 61.0 1.0
CA H:TYR445 4.3 32.8 1.0
OG G:SER257 4.3 57.7 1.0
OG H:SER23 4.5 57.5 1.0
C17 G:8N1502 4.6 40.7 1.0
O H:VAL25 4.6 50.9 1.0
C25 G:8N1502 4.7 64.3 1.0
CB H:SER23 4.8 55.3 1.0
N H:GLY444 4.9 33.6 1.0
O H:ALA441 5.0 23.6 1.0
O4 G:8N1502 5.0 63.9 1.0

Chlorine binding site 8 out of 8 in 5uuw

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Chlorine binding site 8 out of 8 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with Imp and the Inhibitor P221


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with Imp and the Inhibitor P221 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl502

b:68.8
occ:1.00
CL1 H:8N1502 0.0 68.8 1.0
C20 H:8N1502 1.8 59.8 1.0
C19 H:8N1502 2.7 58.7 1.0
C21 H:8N1502 2.8 59.7 1.0
N1 H:8N1502 3.0 67.8 1.0
O F:GLY444 3.5 38.9 1.0
CD2 H:HIS254 3.6 45.0 1.0
CB H:HIS254 3.7 42.0 1.0
C F:GLY444 3.8 35.7 1.0
CG H:HIS254 4.0 43.7 1.0
C18 H:8N1502 4.0 57.9 1.0
C22 H:8N1502 4.1 58.4 1.0
O F:VAL25 4.1 55.4 1.0
CA F:GLY444 4.1 32.0 1.0
CD F:PRO27 4.3 38.2 1.0
OG F:SER23 4.3 35.0 1.0
C24 H:8N1502 4.5 76.5 1.0
N F:TYR445 4.5 32.4 1.0
C17 H:8N1502 4.6 56.2 1.0
CG F:PRO27 4.6 29.9 1.0
CB F:SER23 4.8 36.2 1.0
NE2 H:HIS254 4.9 44.8 1.0
CD2 F:LEU26 4.9 48.9 1.0
CB H:SER257 4.9 63.1 1.0
CA F:TYR445 4.9 33.9 1.0
C25 H:8N1502 5.0 76.6 1.0

Reference:

Y.Kim, N.Maltseva, 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 Imp and the Inhibitor P221 To Be Published.
Page generated: Sat Dec 12 12:32:27 2020

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