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Chlorine in PDB 5uqg: Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor P200

Enzymatic activity of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor P200

All present enzymatic activity of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor P200:
1.1.1.205;

Protein crystallography data

The structure of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor P200, PDB code: 5uqg 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) 35.91 / 2.03
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 95.887, 137.963, 116.548, 90.00, 95.99, 90.00
R / Rfree (%) 16.6 / 20.3

Other elements in 5uqg:

The structure of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor P200 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 Campylobacter Jejuni in the Complex with Inhibitor P200 (pdb code 5uqg). 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 Campylobacter Jejuni in the Complex with Inhibitor P200, PDB code: 5uqg:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 5uqg

Go back to Chlorine Binding Sites List in 5uqg
Chlorine binding site 1 out of 8 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor P200


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 Campylobacter Jejuni in the Complex with Inhibitor P200 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:35.2
occ:1.00
CL A:8L4502 0.0 35.2 1.0
C20 A:8L4502 1.8 27.8 1.0
C21 A:8L4502 2.7 24.4 1.0
C19 A:8L4502 2.8 23.1 1.0
O B:GLY439 3.4 26.0 1.0
C B:GLY439 3.5 22.6 1.0
O B:HOH701 3.6 35.2 1.0
CA B:GLY439 3.7 21.1 1.0
O B:VAL22 3.8 31.8 1.0
CD2 A:HIS247 3.8 17.6 1.0
C22 A:8L4502 4.0 24.4 1.0
C18 A:8L4502 4.0 24.6 1.0
N B:TYR440 4.1 22.9 1.0
CD B:PRO24 4.1 24.7 1.0
CB A:HIS247 4.1 23.2 1.0
CG A:HIS247 4.3 18.8 1.0
OG B:SER20 4.3 22.1 1.0
CG B:PRO24 4.5 24.3 1.0
C17 A:8L4502 4.5 25.1 1.0
CA B:TYR440 4.7 23.3 1.0
CB B:SER20 4.8 22.9 1.0
CA B:LEU23 4.8 27.3 1.0
CD2 B:LEU23 4.9 29.3 1.0
C B:VAL22 4.9 28.2 1.0
N B:PRO24 5.0 26.2 1.0

Chlorine binding site 2 out of 8 in 5uqg

Go back to Chlorine Binding Sites List in 5uqg
Chlorine binding site 2 out of 8 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor P200


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 Campylobacter Jejuni in the Complex with Inhibitor P200 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:30.8
occ:1.00
CL B:8L4503 0.0 30.8 1.0
C20 B:8L4503 1.8 27.9 1.0
C21 B:8L4503 2.8 25.0 1.0
C19 B:8L4503 2.8 24.7 1.0
O H:GLY439 3.5 22.7 1.0
C H:GLY439 3.6 22.8 1.0
O H:VAL22 3.7 25.3 1.0
CA H:GLY439 3.8 21.5 1.0
CD2 B:HIS247 3.9 21.7 1.0
CD H:PRO24 4.0 25.6 1.0
C22 B:8L4503 4.0 24.5 1.0
C18 B:8L4503 4.1 23.6 1.0
CB B:HIS247 4.2 24.2 1.0
OG H:SER20 4.2 26.2 1.0
O B:HOH710 4.2 46.2 1.0
N H:TYR440 4.2 19.6 1.0
CG B:HIS247 4.4 21.1 1.0
CG H:PRO24 4.4 25.7 1.0
C17 B:8L4503 4.6 22.8 1.0
CA H:LEU23 4.8 28.0 1.0
CB H:SER20 4.8 23.9 1.0
CA H:TYR440 4.8 19.6 1.0
C H:VAL22 4.8 27.8 1.0
N H:PRO24 4.9 24.6 1.0
CD2 H:LEU23 4.9 30.3 1.0

Chlorine binding site 3 out of 8 in 5uqg

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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 Campylobacter Jejuni in the Complex with Inhibitor P200


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 Campylobacter Jejuni in the Complex with Inhibitor P200 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl501

b:35.1
occ:1.00
CL C:8L4501 0.0 35.1 1.0
C20 C:8L4501 1.8 33.7 1.0
C19 C:8L4501 2.7 32.8 1.0
C21 C:8L4501 2.8 34.8 1.0
O G:GLY439 3.3 23.8 1.0
C G:GLY439 3.4 23.0 1.0
CD2 C:HIS247 3.7 22.6 1.0
CA G:GLY439 3.8 22.5 1.0
O G:HOH670 3.9 28.3 1.0
O G:VAL22 3.9 32.1 1.0
CD G:PRO24 4.0 28.7 1.0
N G:TYR440 4.0 21.8 1.0
C18 C:8L4501 4.0 35.6 1.0
CB C:HIS247 4.0 23.3 1.0
C22 C:8L4501 4.0 35.6 1.0
CG C:HIS247 4.2 21.4 1.0
O C:HOH686 4.4 59.1 1.0
CG G:PRO24 4.4 30.6 1.0
OG G:SER20 4.4 24.2 1.0
CA G:TYR440 4.5 22.2 1.0
C17 C:8L4501 4.6 35.0 1.0
CA G:LEU23 4.9 26.9 1.0
CB G:SER20 4.9 22.8 1.0
N G:PRO24 4.9 25.5 1.0
NE2 C:HIS247 5.0 22.3 1.0

Chlorine binding site 4 out of 8 in 5uqg

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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 Campylobacter Jejuni in the Complex with Inhibitor P200


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 Campylobacter Jejuni in the Complex with Inhibitor P200 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl501

b:34.6
occ:1.00
CL D:8L4501 0.0 34.6 1.0
C20 D:8L4501 1.8 29.4 1.0
C21 D:8L4501 2.7 30.3 1.0
C19 D:8L4501 2.8 28.4 1.0
O A:GLY439 3.4 20.8 1.0
C A:GLY439 3.5 23.4 1.0
CD2 D:HIS247 3.8 16.9 1.0
CA A:GLY439 3.8 21.7 1.0
O A:VAL22 4.0 33.8 1.0
CD A:PRO24 4.0 25.0 1.0
N A:TYR440 4.0 19.1 1.0
C22 D:8L4501 4.0 29.2 1.0
C18 D:8L4501 4.0 31.3 1.0
OG A:SER20 4.2 20.7 1.0
CB D:HIS247 4.3 18.2 1.0
CG D:HIS247 4.4 16.9 1.0
CG A:PRO24 4.5 23.7 1.0
C17 D:8L4501 4.5 30.6 1.0
CA A:TYR440 4.6 17.9 1.0
CB A:SER20 4.6 18.2 1.0
CD2 A:LEU23 4.9 34.3 1.0
NE2 D:HIS247 4.9 19.5 1.0
CA A:LEU23 4.9 26.9 1.0
N A:PRO24 5.0 28.7 1.0

Chlorine binding site 5 out of 8 in 5uqg

Go back to Chlorine Binding Sites List in 5uqg
Chlorine binding site 5 out of 8 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor P200


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 Campylobacter Jejuni in the Complex with Inhibitor P200 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl502

b:34.2
occ:1.00
CL E:8L4502 0.0 34.2 1.0
C20 E:8L4502 1.8 29.4 1.0
C21 E:8L4502 2.8 28.6 1.0
C19 E:8L4502 2.8 30.5 1.0
O C:GLY439 3.2 27.4 1.0
C C:GLY439 3.4 25.6 1.0
CD2 E:HIS247 3.5 24.7 1.0
O C:VAL22 3.7 28.9 1.0
CA C:GLY439 3.8 25.8 1.0
CB E:HIS247 3.9 24.7 1.0
N C:TYR440 4.0 24.3 1.0
CG E:HIS247 4.0 26.0 1.0
C22 E:8L4502 4.1 32.0 1.0
C18 E:8L4502 4.1 28.7 1.0
CD C:PRO24 4.1 24.9 1.0
OG C:SER20 4.3 21.4 1.0
CA C:TYR440 4.5 26.8 1.0
CD2 C:LEU23 4.5 34.9 1.0
C17 E:8L4502 4.6 31.9 1.0
CG C:PRO24 4.7 24.3 1.0
CA C:LEU23 4.7 27.0 1.0
NE2 E:HIS247 4.7 24.3 1.0
CB C:SER20 4.7 20.8 1.0
C C:VAL22 4.9 31.3 1.0
N C:PRO24 5.0 28.0 1.0

Chlorine binding site 6 out of 8 in 5uqg

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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 Campylobacter Jejuni in the Complex with Inhibitor P200


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 Campylobacter Jejuni in the Complex with Inhibitor P200 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl502

b:35.6
occ:1.00
CL F:8L4502 0.0 35.6 1.0
C20 F:8L4502 1.8 29.6 1.0
C19 F:8L4502 2.8 24.0 1.0
C21 F:8L4502 2.8 29.2 1.0
O E:GLY439 3.3 25.8 1.0
C E:GLY439 3.4 28.0 1.0
O E:HOH664 3.6 31.9 1.0
CA E:GLY439 3.6 24.0 1.0
O E:VAL22 3.6 29.1 1.0
CD2 F:HIS247 3.8 24.4 1.0
OG E:SER20 3.9 26.3 1.0
C18 F:8L4502 4.0 25.6 1.0
C22 F:8L4502 4.0 26.8 1.0
N E:TYR440 4.1 19.3 1.0
CD E:PRO24 4.1 27.9 1.0
CB F:HIS247 4.2 19.2 1.0
CG F:HIS247 4.3 22.5 1.0
CB E:SER20 4.4 22.8 1.0
CG E:PRO24 4.5 26.6 1.0
C17 F:8L4502 4.6 27.6 1.0
CA E:TYR440 4.6 19.3 1.0
C E:VAL22 4.8 27.4 1.0
CA E:LEU23 4.8 32.9 1.0
NE2 F:HIS247 4.9 23.4 1.0
N E:PRO24 5.0 27.6 1.0

Chlorine binding site 7 out of 8 in 5uqg

Go back to Chlorine Binding Sites List in 5uqg
Chlorine binding site 7 out of 8 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor P200


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 Campylobacter Jejuni in the Complex with Inhibitor P200 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl503

b:41.2
occ:1.00
CL F:8L4503 0.0 41.2 1.0
C20 F:8L4503 1.8 34.3 1.0
C21 F:8L4503 2.7 31.7 1.0
C19 F:8L4503 2.8 33.9 1.0
O F:GLY439 3.2 23.9 1.0
C F:GLY439 3.3 26.1 1.0
CA F:GLY439 3.6 26.6 1.0
O F:VAL22 3.8 38.4 1.0
CD2 G:HIS247 3.8 23.1 1.0
N F:TYR440 4.0 24.8 1.0
CD F:PRO24 4.0 31.5 1.0
C22 F:8L4503 4.0 33.2 1.0
C18 F:8L4503 4.1 36.0 1.0
CB G:HIS247 4.2 23.2 1.0
OG F:SER20 4.2 24.1 1.0
CG G:HIS247 4.3 22.9 1.0
CA F:TYR440 4.5 23.9 1.0
CG F:PRO24 4.5 30.4 1.0
C17 F:8L4503 4.6 34.5 1.0
CB F:SER20 4.7 26.9 1.0
O G:HOH692 4.7 45.7 1.0
C F:VAL22 5.0 33.2 1.0
N F:GLY439 5.0 26.0 1.0
NE2 G:HIS247 5.0 23.5 1.0

Chlorine binding site 8 out of 8 in 5uqg

Go back to Chlorine Binding Sites List in 5uqg
Chlorine binding site 8 out of 8 in the Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor P200


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 Campylobacter Jejuni in the Complex with Inhibitor P200 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl503

b:37.6
occ:1.00
CL H:8L4503 0.0 37.6 1.0
C20 H:8L4503 1.8 31.2 1.0
C21 H:8L4503 2.8 27.6 1.0
C19 H:8L4503 2.8 31.1 1.0
O D:GLY439 3.4 23.5 1.0
C D:GLY439 3.5 25.1 1.0
CD2 H:HIS247 3.7 24.8 1.0
CA D:GLY439 3.8 22.7 1.0
O D:VAL22 3.8 38.4 1.0
CD D:PRO24 4.0 30.6 1.0
N D:TYR440 4.0 21.4 1.0
C22 H:8L4503 4.1 24.8 1.0
CB H:HIS247 4.1 26.7 1.0
C18 H:8L4503 4.1 30.8 1.0
O H:HOH686 4.2 44.5 1.0
CG H:HIS247 4.2 25.6 1.0
OG D:SER20 4.3 25.4 1.0
CG D:PRO24 4.5 27.0 1.0
CA D:TYR440 4.6 21.5 1.0
C17 H:8L4503 4.6 28.4 1.0
CB D:SER20 4.7 23.3 1.0
CA D:LEU23 4.9 30.3 1.0
NE2 H:HIS247 4.9 23.4 1.0
C D:VAL22 5.0 32.8 1.0
N D:PRO24 5.0 30.0 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 Campylobacter Jejuni in the Complex with Inhibitor P200 To Be Published.
Page generated: Fri Jul 26 18:14:31 2024

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