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Potassium in PDB 7mtu: 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: 7mtu 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 (°) 83.27, 89.334, 104.334, 98.89, 90.4, 96.01
R / Rfree (%) 23.1 / 27.5

Other elements in 7mtu:

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:

Chlorine (Cl) 8 atoms

Potassium Binding Sites:

The binding sites of Potassium 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 7mtu). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 9 binding sites of Potassium 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: 7mtu:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Potassium binding site 1 out of 9 in 7mtu

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Potassium binding site 1 out of 9 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 Potassium with other atoms in the K 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:K505

b:17.2
occ:1.00
O A:GLU470 2.7 19.3 1.0
O B:CYS308 2.7 19.0 1.0
O B:GLY305 2.7 21.9 1.0
O A:SER471 2.8 24.6 1.0
O B:GLY303 2.9 27.6 1.0
O A:HIS472 2.9 16.6 1.0
O B:HOH630 3.0 15.7 1.0
C A:SER471 3.3 23.5 1.0
C A:HIS472 3.6 20.3 1.0
C B:CYS308 3.7 20.5 1.0
C A:GLU470 3.8 20.4 1.0
CB B:CYS308 3.8 17.8 1.0
C B:GLY305 3.9 19.0 1.0
CA A:SER471 3.9 22.1 1.0
C B:PRO304 3.9 19.4 1.0
C B:GLY303 4.0 21.3 1.0
N A:HIS472 4.0 20.5 1.0
O B:PRO304 4.1 24.4 1.0
N B:GLY305 4.1 20.0 1.0
CA B:CYS308 4.1 18.8 1.0
N A:PRO473 4.2 24.5 1.0
N B:CYS308 4.2 18.7 1.0
CA A:HIS472 4.3 22.9 1.0
N A:SER471 4.3 21.7 1.0
CA B:PRO304 4.4 23.2 1.0
SG B:CYS308 4.4 19.5 1.0
CA A:PRO473 4.5 27.0 1.0
CA B:GLY305 4.6 19.1 1.0
ND1 A:HIS474 4.6 22.3 1.0
N B:PRO304 4.7 20.3 1.0
CE1 A:HIS474 4.7 27.7 1.0
N B:THR309 4.8 22.3 1.0
N B:SER306 4.9 20.7 1.0
CA A:GLU470 5.0 21.0 1.0

Potassium binding site 2 out of 9 in 7mtu

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Potassium binding site 2 out of 9 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 Potassium with other atoms in the K 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:K503

b:29.1
occ:1.00
O B:GLU470 2.7 24.9 1.0
O D:GLY305 2.8 30.0 1.0
O D:GLY303 2.8 24.5 1.0
O B:SER471 2.9 33.8 1.0
O D:CYS308 2.9 24.6 1.0
O B:HIS472 3.0 24.0 1.0
O D:HOH605 3.2 18.1 1.0
C B:SER471 3.3 28.4 1.0
C B:HIS472 3.6 25.3 1.0
C D:CYS308 3.8 23.0 1.0
C B:GLU470 3.8 24.6 1.0
C D:GLY305 3.9 31.3 1.0
C D:PRO304 3.9 26.8 1.0
CA B:SER471 3.9 26.4 1.0
CB D:CYS308 4.0 26.6 1.0
C D:GLY303 4.0 24.4 1.0
N B:HIS472 4.0 26.0 1.0
N D:GLY305 4.1 28.9 1.0
O D:PRO304 4.1 27.4 1.0
CE1 B:HIS474 4.2 30.9 1.0
CA D:CYS308 4.2 31.5 1.0
N B:PRO473 4.2 32.1 1.0
N D:CYS308 4.3 29.7 1.0
CA D:PRO304 4.3 28.4 1.0
CA B:HIS472 4.3 27.2 1.0
ND1 B:HIS474 4.3 32.5 1.0
N B:SER471 4.3 25.6 1.0
SG D:CYS308 4.5 30.7 1.0
CA B:PRO473 4.6 32.1 1.0
CA D:GLY305 4.6 25.4 1.0
N D:PRO304 4.7 23.7 1.0
N D:THR309 4.8 23.1 1.0
N D:SER306 4.8 32.7 1.0
CA D:SER306 5.0 28.6 1.0

Potassium binding site 3 out of 9 in 7mtu

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Potassium binding site 3 out of 9 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 Potassium with other atoms in the K 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:K501

b:22.4
occ:1.00
O A:GLY303 2.7 22.0 1.0
O C:GLU470 2.7 20.7 1.0
O A:CYS308 2.8 16.9 1.0
O A:GLY305 2.8 21.9 1.0
O C:SER471 2.8 26.4 1.0
O C:HIS472 3.0 23.0 1.0
O A:HOH641 3.1 18.1 1.0
C C:SER471 3.3 21.6 1.0
C C:HIS472 3.5 25.5 1.0
C A:CYS308 3.7 18.3 1.0
CB A:CYS308 3.8 19.8 1.0
C C:GLU470 3.8 19.6 1.0
C A:GLY305 3.9 26.5 1.0
C A:GLY303 3.9 20.0 1.0
CA C:SER471 3.9 22.2 1.0
C A:PRO304 4.0 17.8 1.0
N C:HIS472 4.0 18.0 1.0
CA A:CYS308 4.1 21.4 1.0
N A:GLY305 4.1 22.1 1.0
N C:PRO473 4.2 27.0 1.0
N A:CYS308 4.2 19.4 1.0
O A:PRO304 4.2 21.0 1.0
CA C:HIS472 4.2 28.2 1.0
CA A:PRO304 4.3 21.4 1.0
SG A:CYS308 4.3 23.5 1.0
N C:SER471 4.4 23.2 1.0
CA C:PRO473 4.5 24.4 1.0
CA A:GLY305 4.6 23.9 1.0
CD2 C:HIS474 4.6 22.7 1.0
N A:PRO304 4.6 23.8 1.0
N A:THR309 4.7 19.2 1.0
NE2 C:HIS474 4.9 27.1 1.0
N A:SER306 4.9 25.8 1.0
CA A:GLY303 5.0 20.6 1.0

Potassium binding site 4 out of 9 in 7mtu

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Potassium binding site 4 out of 9 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 Potassium with other atoms in the K 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:K501

b:23.3
occ:1.00
O C:GLY305 2.8 25.8 1.0
O D:GLU470 2.8 29.6 1.0
O C:GLY303 2.8 26.5 1.0
O D:SER471 2.8 23.3 1.0
O C:CYS308 2.9 24.2 1.0
O D:HIS472 3.0 26.1 1.0
C D:SER471 3.3 25.6 1.0
O C:HOH645 3.3 20.3 1.0
C D:HIS472 3.5 29.1 1.0
C C:CYS308 3.7 28.2 1.0
CB C:CYS308 3.8 25.2 1.0
C D:GLU470 3.9 26.9 1.0
N D:HIS472 3.9 24.0 1.0
C C:GLY305 3.9 24.7 1.0
CA D:SER471 4.0 26.7 1.0
N D:PRO473 4.0 27.3 1.0
C C:GLY303 4.0 21.7 1.0
CA C:CYS308 4.1 26.0 1.0
CA D:HIS472 4.1 28.2 1.0
C C:PRO304 4.1 25.2 1.0
N C:CYS308 4.2 27.1 1.0
N C:GLY305 4.3 25.3 1.0
O C:PRO304 4.3 20.5 1.0
CD2 D:HIS474 4.3 24.6 1.0
SG C:CYS308 4.3 34.6 1.0
CA D:PRO473 4.4 26.7 1.0
N D:SER471 4.4 26.0 1.0
CA C:PRO304 4.5 22.6 1.0
NE2 D:HIS474 4.5 22.5 1.0
CA C:GLY305 4.7 22.9 1.0
N C:THR309 4.7 25.8 1.0
N C:PRO304 4.8 20.4 1.0
CD D:PRO473 4.8 30.2 1.0
N C:SER306 4.9 28.2 1.0

Potassium binding site 5 out of 9 in 7mtu

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Potassium binding site 5 out of 9 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 Potassium with other atoms in the K 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:K503

b:37.8
occ:1.00
O F:GLY305 2.7 30.4 1.0
O E:GLU470 2.7 30.8 1.0
O E:SER471 2.8 40.3 1.0
O F:GLY303 2.8 47.5 1.0
O F:CYS308 2.9 30.1 1.0
O E:HIS472 2.9 33.4 1.0
C E:SER471 3.3 33.6 1.0
C E:HIS472 3.4 34.2 1.0
C F:CYS308 3.8 33.5 1.0
C E:GLU470 3.8 30.0 1.0
C F:GLY305 3.9 32.8 1.0
N E:PRO473 3.9 30.5 1.0
N E:HIS472 4.0 30.2 1.0
CA E:SER471 4.0 30.8 1.0
CB F:CYS308 4.0 27.6 1.0
C F:GLY303 4.1 46.5 1.0
C F:PRO304 4.1 30.9 1.0
CA E:HIS472 4.1 35.5 1.0
N F:GLY305 4.2 29.1 1.0
CA E:PRO473 4.2 30.0 1.0
O F:PRO304 4.2 35.2 1.0
CA F:CYS308 4.2 31.4 1.0
N F:CYS308 4.3 31.8 1.0
CD2 E:HIS474 4.3 33.5 1.0
N E:SER471 4.4 33.3 1.0
CA F:PRO304 4.4 39.5 1.0
SG F:CYS308 4.4 37.6 1.0
CA F:GLY305 4.6 35.0 1.0
NE2 E:HIS474 4.7 34.9 1.0
CD E:PRO473 4.7 35.3 1.0
N F:PRO304 4.8 40.2 1.0
N F:THR309 4.8 34.0 1.0
N F:SER306 4.9 35.6 1.0
C F:SER306 5.0 30.5 1.0

Potassium binding site 6 out of 9 in 7mtu

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Potassium binding site 6 out of 9 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 Potassium with other atoms in the K 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:K503

b:20.4
occ:1.00
O F:SER471 2.7 25.3 1.0
O H:GLY305 2.8 26.4 1.0
O H:GLY303 2.8 26.7 1.0
O F:GLU470 2.8 22.1 1.0
O H:CYS308 2.9 23.8 1.0
O H:HOH621 2.9 18.1 1.0
O F:HIS472 3.2 27.7 1.0
C F:SER471 3.3 24.4 1.0
C F:HIS472 3.6 28.4 1.0
C H:CYS308 3.7 20.3 1.0
CB H:CYS308 3.8 26.4 1.0
C H:GLY305 3.9 24.3 1.0
C F:GLU470 3.9 24.8 1.0
CA F:SER471 3.9 24.7 1.0
C H:GLY303 4.0 27.7 1.0
C H:PRO304 4.0 21.9 1.0
N F:HIS472 4.0 23.5 1.0
CA H:CYS308 4.1 21.3 1.0
N F:PRO473 4.1 26.9 1.0
N H:GLY305 4.1 22.3 1.0
N H:CYS308 4.2 25.1 1.0
CA F:HIS472 4.2 25.0 1.0
O H:PRO304 4.3 24.4 1.0
SG H:CYS308 4.3 29.0 1.0
CA H:PRO304 4.4 28.1 1.0
N F:SER471 4.4 23.7 1.0
CA F:PRO473 4.5 27.9 1.0
CA H:GLY305 4.6 23.8 1.0
CE1 F:HIS474 4.6 29.4 1.0
ND1 F:HIS474 4.6 29.5 1.0
N H:THR309 4.7 18.6 1.0
N H:PRO304 4.7 28.3 1.0
CD F:PRO473 4.9 30.3 1.0
N H:SER306 4.9 25.0 1.0

Potassium binding site 7 out of 9 in 7mtu

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Potassium binding site 7 out of 9 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 Potassium with other atoms in the K 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:K501

b:37.3
occ:1.00
O E:GLY303 2.8 30.8 1.0
O E:GLY305 2.8 35.1 1.0
O G:GLU470 2.8 35.4 1.0
O G:SER471 2.8 32.0 1.0
O E:CYS308 2.8 28.4 1.0
O G:HIS472 3.2 35.4 1.0
C G:SER471 3.4 31.6 1.0
O E:HOH610 3.4 25.6 1.0
C E:CYS308 3.6 31.6 1.0
C G:HIS472 3.7 35.5 1.0
CB E:CYS308 3.7 33.2 1.0
C G:GLU470 3.9 33.9 1.0
C E:GLY305 3.9 34.5 1.0
C E:GLY303 4.0 32.1 1.0
CA G:SER471 4.0 32.0 1.0
CA E:CYS308 4.0 32.2 1.0
N G:HIS472 4.0 33.9 1.0
C E:PRO304 4.1 36.2 1.0
N E:CYS308 4.2 36.0 1.0
N E:GLY305 4.2 37.6 1.0
N G:PRO473 4.2 39.4 1.0
SG E:CYS308 4.3 42.8 1.0
O E:PRO304 4.3 27.9 1.0
CA G:HIS472 4.3 32.8 1.0
CD2 G:HIS474 4.4 37.2 1.0
N G:SER471 4.4 33.6 1.0
CA E:PRO304 4.5 35.7 1.0
NE2 G:HIS474 4.5 32.7 1.0
CA E:GLY305 4.6 34.3 1.0
CA G:PRO473 4.6 37.5 1.0
N E:THR309 4.7 31.6 1.0
N E:PRO304 4.7 28.6 1.0
CA E:GLY303 4.9 35.5 1.0
N E:SER306 5.0 34.2 1.0

Potassium binding site 8 out of 9 in 7mtu

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Potassium binding site 8 out of 9 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 Potassium with other atoms in the K 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:K501

b:29.2
occ:1.00
O H:GLU470 2.7 22.1 1.0
O G:GLY305 2.8 20.0 1.0
O G:GLY303 2.8 23.9 1.0
O G:CYS308 2.8 28.0 1.0
O H:SER471 2.8 25.6 1.0
O H:HIS472 3.1 20.9 1.0
O H:HOH636 3.2 19.8 1.0
C H:SER471 3.4 22.1 1.0
C G:CYS308 3.6 22.2 1.0
C H:HIS472 3.6 24.8 1.0
CB G:CYS308 3.7 22.7 1.0
C G:GLY305 3.9 28.5 1.0
C H:GLU470 3.9 23.5 1.0
C G:PRO304 3.9 24.9 1.0
C G:GLY303 3.9 24.8 1.0
CA H:SER471 4.0 26.6 1.0
CA G:CYS308 4.0 22.6 1.0
N G:GLY305 4.0 20.3 1.0
O G:PRO304 4.1 24.0 1.0
N H:HIS472 4.1 21.0 1.0
N G:CYS308 4.2 27.1 1.0
SG G:CYS308 4.2 29.9 1.0
N H:PRO473 4.2 32.7 1.0
CA G:PRO304 4.3 27.7 1.0
CA H:HIS472 4.4 25.5 1.0
N H:SER471 4.4 26.1 1.0
CD2 H:HIS474 4.5 24.9 1.0
CA H:PRO473 4.5 26.8 1.0
CA G:GLY305 4.6 24.6 1.0
N G:PRO304 4.6 25.3 1.0
N G:THR309 4.7 22.7 1.0
NE2 H:HIS474 4.7 25.6 1.0
CA G:GLY303 4.9 25.6 1.0
N G:SER306 4.9 23.1 1.0

Potassium binding site 9 out of 9 in 7mtu

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Potassium binding site 9 out of 9 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 Potassium with other atoms in the K binding site number 9 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:K505

b:58.7
occ:1.00
O H:SER373 3.0 42.4 1.0
O H:ALA371 3.1 38.2 1.0
O H:GLY375 3.6 62.7 1.0
O H:GLU372 3.9 37.9 1.0
C H:SER373 4.0 39.5 1.0
C H:GLU372 4.1 37.9 1.0
O H:HOH649 4.2 46.4 1.0
C H:ALA371 4.3 38.8 1.0
NZ H:LYS386 4.4 38.4 1.0
CA H:GLU372 4.4 39.1 1.0
CA H:PRO374 4.5 41.5 1.0
N H:SER373 4.6 38.9 1.0
N H:GLY375 4.6 53.3 1.0
OD2 H:ASP58 4.6 54.1 1.0
C H:GLY375 4.7 56.8 1.0
N H:PRO374 4.7 40.1 1.0
C H:PRO374 4.7 44.8 1.0
N H:GLU372 4.9 39.3 1.0
OE1 H:GLU376 4.9 83.4 1.0
CA H:SER373 4.9 39.5 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: Mon Aug 12 19:27:11 2024

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