Chlorine in PDB 7mtx: Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Bacillus Anthracis in the Complex with Imp and the Inhibitor P176

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 P176

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 P176:
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 P176, PDB code: 7mtx 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, Center For Structural Genomics Of Infectiousdiseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.08 / 2.44
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 85.39, 89.921, 104.856, 81.41, 90.03, 83.44
R / Rfree (%) 17.8 / 22.2

Other elements in 7mtx:

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 P176 also contains other interesting chemical elements:

Potassium (K) 8 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 P176 (pdb code 7mtx). 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 P176, PDB code: 7mtx:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 7mtx

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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 P176


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 P176 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:65.3
occ:0.86
 CL A:ZO4502 0.0 65.3 0.9
C20 A:ZO4502 1.8 41.1 0.9
C21 A:ZO4502 2.7 41.4 0.9
C19 A:ZO4502 2.8 37.4 0.9
N1 A:ZO4502 2.8 54.5 0.9
O C:GLY444 3.2 30.0 1.0
C C:GLY444 3.2 31.1 1.0
CA C:GLY444 3.5 29.5 1.0
CD2 A:HIS254 3.5 31.7 1.0
CB A:HIS254 3.6 31.4 1.0
N C:TYR445 3.7 27.8 1.0
CG A:HIS254 3.9 34.6 1.0
C22 A:ZO4502 4.0 35.3 0.9
C18 A:ZO4502 4.1 36.9 0.9
C24 A:ZO4502 4.1 62.2 0.9
CD C:PRO27 4.3 38.4 1.0
CG C:PRO27 4.3 38.7 1.0
CA C:TYR445 4.4 28.1 1.0
OG C:SER23 4.4 44.1 1.0
C17 A:ZO4502 4.6 37.8 0.9
O C:VAL25 4.6 46.0 1.0
O3 A:ZO4502 4.7 66.9 0.9
NE2 A:HIS254 4.7 35.7 1.0
N C:GLY444 4.8 32.1 1.0
CB C:SER23 4.8 45.2 1.0
O C:ALA441 4.9 26.9 1.0

Chlorine binding site 2 out of 8 in 7mtx

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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 P176


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 P176 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:59.4
occ:0.90
 CL B:ZO4502 0.0 59.4 0.9
C20 B:ZO4502 1.8 33.9 0.9
C21 B:ZO4502 2.7 43.5 0.9
C19 B:ZO4502 2.8 38.8 0.9
N1 B:ZO4502 2.9 54.1 0.9
O A:GLY444 3.2 30.6 1.0
C A:GLY444 3.2 37.9 1.0
CD2 B:HIS254 3.5 42.4 1.0
CA A:GLY444 3.6 33.0 1.0
CB B:HIS254 3.7 37.0 1.0
N A:TYR445 3.8 33.7 1.0
CG B:HIS254 3.9 43.6 1.0
C22 B:ZO4502 4.0 33.2 0.9
C18 B:ZO4502 4.1 32.9 0.9
OG A:SER23 4.3 53.7 1.0
C24 B:ZO4502 4.3 61.6 0.9
CD A:PRO27 4.3 41.7 1.0
CG A:PRO27 4.3 41.4 1.0
CA A:TYR445 4.3 37.2 1.0
O A:VAL25 4.5 50.1 1.0
C17 B:ZO4502 4.6 31.8 0.9
CB A:SER23 4.7 45.0 1.0
C25 B:ZO4502 4.7 65.6 0.9
NE2 B:HIS254 4.7 40.7 1.0
N A:GLY444 4.9 32.5 1.0
O A:ALA441 4.9 37.4 1.0
O3 B:ZO4502 5.0 70.1 0.9

Chlorine binding site 3 out of 8 in 7mtx

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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 P176


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 P176 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl503

b:59.1
occ:0.89
 CL C:ZO4503 0.0 59.1 0.9
C20 C:ZO4503 1.8 37.1 0.9
C21 C:ZO4503 2.7 35.1 0.9
N1 C:ZO4503 2.8 48.8 0.9
C19 C:ZO4503 2.8 31.8 0.9
O D:GLY444 3.2 32.1 1.0
C D:GLY444 3.2 36.4 1.0
CA D:GLY444 3.6 31.0 1.0
CD2 C:HIS254 3.7 37.0 1.0
N D:TYR445 3.7 30.1 1.0
CB C:HIS254 3.7 35.9 1.0
CG C:HIS254 3.9 35.5 1.0
C22 C:ZO4503 4.0 30.6 0.9
C18 C:ZO4503 4.1 33.8 0.9
C24 C:ZO4503 4.1 59.6 0.9
OG D:SER23 4.2 47.1 1.0
CD D:PRO27 4.3 43.3 1.0
CA D:TYR445 4.3 34.0 1.0
O D:VAL25 4.3 46.9 1.0
CG D:PRO27 4.4 36.0 1.0
C17 C:ZO4503 4.6 32.1 0.9
CB D:SER23 4.7 38.5 1.0
O3 C:ZO4503 4.7 53.9 0.9
NE2 C:HIS254 4.8 38.3 1.0
N D:GLY444 4.8 29.7 1.0
O D:ALA441 4.9 32.9 1.0
CD1 D:TYR445 5.0 31.5 1.0

Chlorine binding site 4 out of 8 in 7mtx

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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 P176


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 P176 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl503

b:58.4
occ:0.85
 CL D:ZO4503 0.0 58.4 0.8
C20 D:ZO4503 1.8 37.4 0.8
C21 D:ZO4503 2.7 38.7 0.8
C19 D:ZO4503 2.8 36.0 0.8
N1 D:ZO4503 2.9 49.9 0.8
O B:GLY444 3.1 29.3 1.0
C B:GLY444 3.2 33.3 1.0
CD2 D:HIS254 3.6 35.9 1.0
CA B:GLY444 3.6 33.2 1.0
CB D:HIS254 3.7 32.4 1.0
N B:TYR445 3.8 32.9 1.0
CG D:HIS254 3.9 34.8 1.0
C22 D:ZO4503 4.0 33.5 0.8
C18 D:ZO4503 4.1 31.4 0.8
OG D:SER257 4.3 61.4 1.0
OG B:SER23 4.3 39.5 1.0
C24 D:ZO4503 4.3 57.2 0.8
O B:VAL25 4.3 49.6 1.0
CD B:PRO27 4.3 40.8 1.0
CA B:TYR445 4.4 31.8 1.0
CG B:PRO27 4.4 40.0 1.0
C17 D:ZO4503 4.6 36.3 0.8
C25 D:ZO4503 4.7 61.8 0.8
NE2 D:HIS254 4.8 42.2 1.0
CB B:SER23 4.8 37.3 1.0
N B:GLY444 4.9 31.8 1.0
O B:ALA441 5.0 27.2 1.0

Chlorine binding site 5 out of 8 in 7mtx

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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 P176


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 P176 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl502

b:61.6
occ:0.92
 CL E:ZO4502 0.0 61.6 0.9
C20 E:ZO4502 1.8 38.1 0.9
C21 E:ZO4502 2.7 43.0 0.9
C19 E:ZO4502 2.8 38.7 0.9
N1 E:ZO4502 2.9 52.0 0.9
O G:GLY444 3.2 36.2 1.0
C G:GLY444 3.3 37.2 1.0
CD2 E:HIS254 3.6 38.1 1.0
CA G:GLY444 3.6 30.5 1.0
CB E:HIS254 3.8 32.2 1.0
N G:TYR445 3.9 33.2 1.0
CG E:HIS254 4.0 34.7 1.0
C22 E:ZO4502 4.1 36.5 0.9
C18 E:ZO4502 4.1 35.3 0.9
O G:VAL25 4.2 44.4 1.0
CD G:PRO27 4.3 36.2 1.0
C24 E:ZO4502 4.4 58.3 0.9
CG G:PRO27 4.4 34.8 1.0
CA G:TYR445 4.4 33.5 1.0
C17 E:ZO4502 4.6 35.8 0.9
OG G:SER23 4.6 38.9 1.0
C25 E:ZO4502 4.8 67.0 0.9
O4 E:ZO4502 4.8 54.9 0.9
NE2 E:HIS254 4.9 43.1 1.0
N G:GLY444 4.9 37.7 1.0

Chlorine binding site 6 out of 8 in 7mtx

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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 P176


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 P176 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl502

b:59.6
occ:0.87
 CL F:ZO4502 0.0 59.6 0.9
C20 F:ZO4502 1.8 42.3 0.9
C21 F:ZO4502 2.7 43.9 0.9
C19 F:ZO4502 2.8 40.8 0.9
N1 F:ZO4502 2.9 51.6 0.9
O E:GLY444 3.2 34.2 1.0
C E:GLY444 3.2 36.4 1.0
CA E:GLY444 3.5 32.8 1.0
CD2 F:HIS254 3.7 38.2 1.0
N E:TYR445 3.8 28.6 1.0
CB F:HIS254 3.8 36.8 1.0
C22 F:ZO4502 4.1 42.0 0.9
C18 F:ZO4502 4.1 40.5 0.9
CG F:HIS254 4.1 40.6 1.0
CD E:PRO27 4.2 39.5 1.0
C24 F:ZO4502 4.3 60.7 0.9
O E:VAL25 4.3 48.3 1.0
CG E:PRO27 4.4 41.3 1.0
OG E:SER23 4.4 43.7 1.0
CA E:TYR445 4.4 32.7 1.0
OG F:SER257 4.5 53.8 1.0
C17 F:ZO4502 4.6 39.6 0.9
C25 F:ZO4502 4.7 62.8 0.9
N E:GLY444 4.8 31.5 1.0
O E:ALA441 4.9 29.6 1.0
CB E:SER23 4.9 45.4 1.0
NE2 F:HIS254 4.9 44.5 1.0

Chlorine binding site 7 out of 8 in 7mtx

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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 P176


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 P176 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl503

b:68.0
occ:0.93
 CL G:ZO4503 0.0 68.0 0.9
C20 G:ZO4503 1.8 48.9 0.9
C21 G:ZO4503 2.7 50.5 0.9
C19 G:ZO4503 2.8 50.4 0.9
N1 G:ZO4503 2.9 56.5 0.9
O H:GLY444 3.1 44.1 1.0
C H:GLY444 3.2 44.7 1.0
CD2 G:HIS254 3.5 42.0 1.0
CA H:GLY444 3.6 37.9 1.0
CB G:HIS254 3.7 44.2 1.0
N H:TYR445 3.8 39.2 1.0
CG G:HIS254 3.9 42.3 1.0
C22 G:ZO4503 4.1 43.0 0.9
C18 G:ZO4503 4.1 45.7 0.9
CD H:PRO27 4.3 49.8 1.0
O H:VAL25 4.3 60.9 1.0
OG H:SER23 4.3 50.7 1.0
C24 G:ZO4503 4.3 62.5 0.9
CA H:TYR445 4.4 36.3 1.0
CG H:PRO27 4.4 48.4 1.0
C17 G:ZO4503 4.6 44.7 0.9
C25 G:ZO4503 4.7 63.7 0.9
NE2 G:HIS254 4.8 42.4 1.0
CB H:SER23 4.8 46.0 1.0
N H:GLY444 4.9 38.6 1.0
O H:ALA441 5.0 38.1 1.0

Chlorine binding site 8 out of 8 in 7mtx

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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 P176


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 P176 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl503

b:68.9
occ:0.92
 CL H:ZO4503 0.0 68.9 0.9
C20 H:ZO4503 1.8 51.6 0.9
C19 H:ZO4503 2.8 38.1 0.9
C21 H:ZO4503 2.8 57.9 0.9
N1 H:ZO4503 3.0 59.3 0.9
O F:GLY444 3.4 32.2 1.0
C F:GLY444 3.5 37.0 1.0
CD2 H:HIS254 3.6 39.6 1.0
CA F:GLY444 3.7 29.3 1.0
CB H:HIS254 3.7 43.6 1.0
CG H:HIS254 4.0 43.4 1.0
C18 H:ZO4503 4.1 40.2 0.9
C22 H:ZO4503 4.1 47.5 0.9
N F:TYR445 4.1 34.5 1.0
CD F:PRO27 4.1 49.6 1.0
O F:VAL25 4.1 55.6 1.0
OG F:SER23 4.3 51.9 1.0
C24 H:ZO4503 4.4 71.1 0.9
C17 H:ZO4503 4.6 49.0 0.9
CA F:TYR445 4.7 30.3 1.0
CB F:SER23 4.7 46.6 1.0
NE2 H:HIS254 4.9 40.0 1.0
CG F:PRO27 5.0 45.7 1.0
C25 H:ZO4503 5.0 80.3 0.9

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 P176 To Be Published.
Page generated: Tue Jul 30 00:40:03 2024

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