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Chlorine in PDB 5urq: Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor P176

Enzymatic activity of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor P176

All present enzymatic activity of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor P176:
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 P176, PDB code: 5urq 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) 40.80 / 2.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 98.487, 141.793, 121.640, 90.00, 94.47, 90.00
R / Rfree (%) 18 / 23.5

Other elements in 5urq:

The structure of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with 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 Campylobacter Jejuni in the Complex with Inhibitor P176 (pdb code 5urq). 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 P176, PDB code: 5urq:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 5urq

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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 Campylobacter Jejuni in the Complex with 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 Campylobacter Jejuni in the Complex with Inhibitor P176 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:61.6
occ:1.00
CL A:8L7502 0.0 61.6 1.0
C20 A:8L7502 1.8 58.7 1.0
C19 A:8L7502 2.8 54.5 1.0
C21 A:8L7502 2.9 60.4 1.0
N34 A:8L7502 3.1 67.3 1.0
O D:GLY439 3.1 49.3 1.0
C D:GLY439 3.4 47.7 1.0
C24 A:8L7502 3.5 73.4 1.0
O3 A:8L7502 3.7 75.4 1.0
CD2 A:HIS247 3.7 49.3 1.0
CA D:GLY439 3.8 48.6 1.0
OG D:SER20 4.0 53.9 1.0
N D:TYR440 4.0 46.1 1.0
C18 A:8L7502 4.1 53.4 1.0
O D:VAL22 4.1 67.7 1.0
CB A:HIS247 4.1 47.9 1.0
C22 A:8L7502 4.2 55.4 1.0
CD D:PRO24 4.2 62.7 1.0
CG A:HIS247 4.2 48.2 1.0
CA D:TYR440 4.5 45.3 1.0
CB D:SER20 4.5 52.8 1.0
CG D:PRO24 4.6 62.1 1.0
C17 A:8L7502 4.6 52.6 1.0
NE2 A:HIS247 4.9 49.3 1.0
C25 A:8L7502 5.0 75.9 1.0

Chlorine binding site 2 out of 8 in 5urq

Go back to Chlorine Binding Sites List in 5urq
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 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 Campylobacter Jejuni in the Complex with Inhibitor P176 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:62.8
occ:1.00
CL B:8L7501 0.0 62.8 1.0
C20 B:8L7501 1.8 59.0 1.0
C19 B:8L7501 2.8 55.4 1.0
C21 B:8L7501 2.8 59.4 1.0
N34 B:8L7501 3.1 64.9 1.0
O A:GLY439 3.4 54.2 1.0
C A:GLY439 3.5 51.6 1.0
CD2 B:HIS247 3.7 43.4 1.0
C24 B:8L7501 3.7 68.7 1.0
CA A:GLY439 3.8 50.6 1.0
N A:TYR440 4.0 49.3 1.0
C18 B:8L7501 4.1 53.2 1.0
O A:VAL22 4.1 68.7 1.0
C22 B:8L7501 4.1 55.5 1.0
OG A:SER20 4.1 63.1 1.0
CD A:PRO24 4.2 60.1 1.0
CB B:HIS247 4.2 40.4 1.0
O3 B:8L7501 4.3 69.9 1.0
CG B:HIS247 4.3 43.0 1.0
C17 B:8L7501 4.6 52.8 1.0
CG A:PRO24 4.6 59.0 1.0
CA A:TYR440 4.7 48.7 1.0
CB A:SER20 4.7 63.1 1.0
NE2 B:HIS247 4.8 42.8 1.0

Chlorine binding site 3 out of 8 in 5urq

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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 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 Campylobacter Jejuni in the Complex with Inhibitor P176 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl501

b:69.8
occ:1.00
CL C:8L7501 0.0 69.8 1.0
C20 C:8L7501 1.8 67.1 1.0
C19 C:8L7501 2.8 64.2 1.0
C21 C:8L7501 2.8 66.0 1.0
O B:GLY439 2.9 48.5 1.0
N34 C:8L7501 3.1 67.6 1.0
C B:GLY439 3.2 48.2 1.0
CA B:GLY439 3.5 50.1 1.0
CD2 C:HIS247 3.6 41.5 1.0
OG B:SER20 3.7 51.9 1.0
N B:TYR440 3.9 45.8 1.0
C24 C:8L7501 3.9 70.3 1.0
O B:VAL22 4.1 61.7 1.0
C18 C:8L7501 4.1 61.2 1.0
C22 C:8L7501 4.1 63.2 1.0
CD B:PRO24 4.2 61.3 1.0
O3 C:8L7501 4.2 70.1 1.0
CB C:HIS247 4.2 41.6 1.0
CG C:HIS247 4.3 40.7 1.0
CB B:SER20 4.3 51.5 1.0
CA B:TYR440 4.4 45.5 1.0
CG B:PRO24 4.6 60.3 1.0
C17 C:8L7501 4.6 60.2 1.0
NE2 C:HIS247 4.7 41.6 1.0
N B:GLY439 4.9 50.7 1.0

Chlorine binding site 4 out of 8 in 5urq

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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 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 Campylobacter Jejuni in the Complex with Inhibitor P176 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl501

b:74.7
occ:1.00
CL D:8L7501 0.0 74.7 1.0
C20 D:8L7501 1.8 75.2 1.0
C19 D:8L7501 2.8 73.3 1.0
C21 D:8L7501 2.8 78.1 1.0
O C:GLY439 3.1 55.5 1.0
N34 D:8L7501 3.1 82.3 1.0
C C:GLY439 3.3 53.7 1.0
CD2 D:HIS247 3.6 57.9 1.0
CA C:GLY439 3.6 53.3 1.0
C24 D:8L7501 3.9 85.3 1.0
N C:TYR440 3.9 52.4 1.0
O3 D:8L7501 4.0 86.3 1.0
OG C:SER20 4.0 61.5 1.0
C18 D:8L7501 4.1 73.1 1.0
O C:VAL22 4.1 68.0 1.0
CB D:HIS247 4.1 58.7 1.0
C22 D:8L7501 4.1 76.0 1.0
CG D:HIS247 4.2 58.6 1.0
CD C:PRO24 4.2 65.8 1.0
CG C:PRO24 4.4 66.1 1.0
CA C:TYR440 4.5 52.2 1.0
CB C:SER20 4.5 60.2 1.0
C17 D:8L7501 4.6 73.4 1.0
NE2 D:HIS247 4.8 57.8 1.0
N C:GLY439 4.9 52.1 1.0
CD2 C:LEU23 4.9 72.5 1.0

Chlorine binding site 5 out of 8 in 5urq

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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 Campylobacter Jejuni in the Complex with 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 Campylobacter Jejuni in the Complex with Inhibitor P176 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl502

b:67.8
occ:1.00
CL E:8L7502 0.0 67.8 1.0
C20 E:8L7502 1.8 65.2 1.0
C19 E:8L7502 2.8 61.7 1.0
C21 E:8L7502 2.8 65.1 1.0
N34 E:8L7502 3.0 68.8 1.0
O H:GLY439 3.1 59.8 1.0
C H:GLY439 3.3 56.3 1.0
CA H:GLY439 3.6 56.2 1.0
CD2 E:HIS247 3.6 57.0 1.0
O4 E:8L7502 3.8 75.7 1.0
CB E:HIS247 3.9 56.3 1.0
N H:TYR440 4.0 53.1 1.0
OG H:SER20 4.0 65.6 1.0
C18 E:8L7502 4.0 59.7 1.0
C22 E:8L7502 4.1 62.2 1.0
CG E:HIS247 4.1 56.4 1.0
C24 E:8L7502 4.2 73.4 1.0
O H:VAL22 4.3 71.2 1.0
CD H:PRO24 4.4 62.9 1.0
CA H:TYR440 4.5 52.6 1.0
C17 E:8L7502 4.6 59.3 1.0
C25 E:8L7502 4.6 75.0 1.0
CB H:SER20 4.6 63.6 1.0
CG H:PRO24 4.7 61.4 1.0
NE2 E:HIS247 4.9 57.6 1.0
N H:GLY439 5.0 55.7 1.0

Chlorine binding site 6 out of 8 in 5urq

Go back to Chlorine Binding Sites List in 5urq
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 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 Campylobacter Jejuni in the Complex with Inhibitor P176 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl501

b:73.5
occ:1.00
CL F:8L7501 0.0 73.5 1.0
C20 F:8L7501 1.8 71.5 1.0
C19 F:8L7501 2.8 69.3 1.0
C21 F:8L7501 2.9 72.3 1.0
N34 F:8L7501 3.1 77.4 1.0
O E:GLY439 3.2 57.1 1.0
CD2 F:HIS247 3.3 56.2 1.0
C E:GLY439 3.4 65.9 1.0
CA E:GLY439 3.8 65.5 1.0
CB F:HIS247 3.8 55.2 1.0
CG F:HIS247 3.9 55.2 1.0
OG E:SER20 3.9 64.2 1.0
O4 F:8L7501 4.0 85.5 1.0
N E:TYR440 4.0 63.8 1.0
C18 F:8L7501 4.1 67.3 1.0
C22 F:8L7501 4.1 68.6 1.0
C24 F:8L7501 4.3 82.2 1.0
O E:VAL22 4.3 70.7 1.0
CB E:SER20 4.4 65.2 1.0
NE2 F:HIS247 4.5 57.0 1.0
CA E:TYR440 4.5 63.9 1.0
C17 F:8L7501 4.6 65.4 1.0
CD E:PRO24 4.6 68.8 1.0
C25 F:8L7501 4.7 85.1 1.0
CG E:PRO24 4.9 66.7 1.0
CB F:SER250 5.0 62.6 1.0

Chlorine binding site 7 out of 8 in 5urq

Go back to Chlorine Binding Sites List in 5urq
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 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 Campylobacter Jejuni in the Complex with Inhibitor P176 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl501

b:79.5
occ:1.00
CL H:8L7501 0.0 79.5 1.0
C20 H:8L7501 1.8 78.5 1.0
C19 H:8L7501 2.7 76.1 1.0
C21 H:8L7501 2.9 80.5 1.0
O G:GLY439 3.0 71.3 1.0
N34 H:8L7501 3.3 85.3 1.0
C G:GLY439 3.4 69.0 1.0
C24 H:8L7501 3.6 89.1 1.0
CD2 H:HIS247 3.7 72.1 1.0
CA G:GLY439 3.8 68.0 1.0
O G:VAL22 3.9 78.6 1.0
C18 H:8L7501 4.0 75.2 1.0
O3 H:8L7501 4.0 90.8 1.0
OG G:SER20 4.1 71.7 1.0
C22 H:8L7501 4.1 77.7 1.0
CB H:HIS247 4.2 71.3 1.0
N G:TYR440 4.2 68.3 1.0
CG H:HIS247 4.3 71.4 1.0
CD G:PRO24 4.3 78.0 1.0
C17 H:8L7501 4.6 74.9 1.0
CA G:TYR440 4.7 71.1 1.0
CB G:SER20 4.7 70.7 1.0
NE2 H:HIS247 4.9 72.0 1.0

Chlorine binding site 8 out of 8 in 5urq

Go back to Chlorine Binding Sites List in 5urq
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 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 Campylobacter Jejuni in the Complex with Inhibitor P176 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl503

b:74.2
occ:1.00
CL G:8L7503 0.0 74.2 1.0
C20 G:8L7503 1.8 72.5 1.0
C19 G:8L7503 2.8 69.8 1.0
C21 G:8L7503 2.8 74.0 1.0
N34 G:8L7503 3.0 78.7 1.0
O F:GLY439 3.4 58.2 1.0
C F:GLY439 3.5 57.1 1.0
CA F:GLY439 3.7 58.1 1.0
CD2 G:HIS247 3.8 61.5 1.0
C24 G:8L7503 3.8 83.6 1.0
O3 G:8L7503 4.0 85.5 1.0
CD F:PRO24 4.0 67.7 1.0
C18 G:8L7503 4.1 68.5 1.0
C22 G:8L7503 4.1 71.4 1.0
N F:TYR440 4.1 56.6 1.0
O F:VAL22 4.1 73.9 1.0
CB G:HIS247 4.2 59.6 1.0
OG F:SER20 4.3 67.0 1.0
CG G:HIS247 4.3 60.7 1.0
CG F:PRO24 4.4 65.8 1.0
C17 G:8L7503 4.6 68.5 1.0
CA F:TYR440 4.7 57.9 1.0
CB F:SER20 4.8 67.7 1.0
N F:PRO24 5.0 68.1 1.0
NE2 G:HIS247 5.0 62.1 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 P176 To Be Published.
Page generated: Fri Jul 26 18:15:32 2024

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