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Chlorine in PDB 5uqh: Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor P182

Enzymatic activity of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor P182

All present enzymatic activity of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor P182:
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 P182, PDB code: 5uqh 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) 46.72 / 2.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 98.441, 141.281, 121.061, 90.00, 94.36, 90.00
R / Rfree (%) 17.2 / 21.3

Other elements in 5uqh:

The structure of Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase From Campylobacter Jejuni in the Complex with Inhibitor P182 also contains other interesting chemical elements:

Fluorine (F) 24 atoms
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 P182 (pdb code 5uqh). 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 P182, PDB code: 5uqh:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 5uqh

Go back to Chlorine Binding Sites List in 5uqh
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 P182


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 P182 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:45.5
occ:1.00
CL B:8L1501 0.0 45.5 1.0
C20 B:8L1501 1.8 44.6 1.0
C21 B:8L1501 2.7 41.2 1.0
C19 B:8L1501 2.8 49.1 1.0
S B:8L1501 3.1 71.1 1.0
O A:GLY439 3.1 34.5 1.0
C A:GLY439 3.2 27.8 1.0
C24 B:8L1501 3.3 66.3 1.0
CD2 B:HIS247 3.5 28.5 1.0
CA A:GLY439 3.6 28.4 1.0
N A:TYR440 3.9 27.6 1.0
CB B:HIS247 4.0 27.5 1.0
C22 B:8L1501 4.1 39.4 1.0
CG B:HIS247 4.1 28.1 1.0
C18 B:8L1501 4.1 41.8 1.0
OG A:SER20 4.1 36.4 1.0
O A:VAL22 4.1 44.8 1.0
CD A:PRO24 4.2 31.6 1.0
CA A:TYR440 4.4 27.1 1.0
CG A:PRO24 4.5 31.1 1.0
CB A:SER20 4.6 35.0 1.0
N5 B:8L1501 4.6 75.8 1.0
C17 B:8L1501 4.6 40.1 1.0
NE2 B:HIS247 4.7 26.8 1.0
C26 B:8L1501 4.8 79.2 1.0
N A:GLY439 4.9 29.3 1.0

Chlorine binding site 2 out of 8 in 5uqh

Go back to Chlorine Binding Sites List in 5uqh
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 P182


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 P182 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl501

b:41.9
occ:1.00
CL C:8L1501 0.0 41.9 1.0
C20 C:8L1501 1.8 42.1 1.0
C21 C:8L1501 2.7 38.7 1.0
C19 C:8L1501 2.8 49.2 1.0
S C:8L1501 3.0 75.6 1.0
O B:GLY439 3.1 27.7 1.0
C B:GLY439 3.2 30.4 1.0
C24 C:8L1501 3.3 68.2 1.0
CA B:GLY439 3.6 28.6 1.0
CD2 C:HIS247 3.7 28.6 1.0
N B:TYR440 3.8 28.6 1.0
C22 C:8L1501 4.0 34.1 1.0
CB C:HIS247 4.1 31.4 1.0
O B:VAL22 4.1 39.0 1.0
C18 C:8L1501 4.1 41.3 1.0
CD B:PRO24 4.2 33.8 1.0
CG C:HIS247 4.2 30.6 1.0
OG B:SER20 4.3 28.6 1.0
CA B:TYR440 4.3 26.1 1.0
CG B:PRO24 4.4 38.7 1.0
C17 C:8L1501 4.6 38.2 1.0
N5 C:8L1501 4.7 77.6 1.0
CB B:SER20 4.7 30.0 1.0
C26 C:8L1501 4.7 80.9 1.0
N B:GLY439 4.9 31.2 1.0
NE2 C:HIS247 4.9 30.9 1.0
O B:SER436 5.0 24.3 1.0

Chlorine binding site 3 out of 8 in 5uqh

Go back to Chlorine Binding Sites List in 5uqh
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 P182


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 P182 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl501

b:37.2
occ:1.00
CL D:8L1501 0.0 37.2 1.0
C20 D:8L1501 1.8 39.4 1.0
C21 D:8L1501 2.8 36.1 1.0
C19 D:8L1501 2.8 41.5 1.0
S D:8L1501 3.2 70.5 1.0
O D:GLY439 3.3 26.1 1.0
C24 D:8L1501 3.3 60.2 1.0
C D:GLY439 3.3 31.1 1.0
CA D:GLY439 3.6 25.0 1.0
N D:TYR440 3.9 23.4 1.0
CD2 A:HIS247 3.9 29.9 1.0
CB A:HIS247 4.0 30.3 1.0
C22 D:8L1501 4.1 32.4 1.0
OG D:SER20 4.1 29.3 1.0
C18 D:8L1501 4.1 33.3 1.0
O D:VAL22 4.1 34.8 1.0
O D:HOH639 4.1 28.0 1.0
CD D:PRO24 4.2 27.6 1.0
CG A:HIS247 4.3 32.4 1.0
CA D:TYR440 4.4 23.4 1.0
CG D:PRO24 4.5 28.7 1.0
N5 D:8L1501 4.5 67.8 1.0
CB D:SER20 4.6 29.4 1.0
C17 D:8L1501 4.6 34.6 1.0
C26 D:8L1501 4.8 74.9 1.0
N D:GLY439 5.0 29.7 1.0

Chlorine binding site 4 out of 8 in 5uqh

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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 P182


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 P182 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl504

b:44.7
occ:1.00
CL D:8L1504 0.0 44.7 1.0
C20 D:8L1504 1.8 48.6 1.0
C21 D:8L1504 2.7 45.3 1.0
C19 D:8L1504 2.8 56.5 1.0
S D:8L1504 3.0 74.7 1.0
O C:GLY439 3.0 35.7 1.0
C C:GLY439 3.2 38.9 1.0
C24 D:8L1504 3.3 68.7 1.0
CA C:GLY439 3.6 38.8 1.0
CD2 D:HIS247 3.7 35.0 1.0
N C:TYR440 3.9 35.1 1.0
O C:VAL22 4.0 50.2 1.0
C22 D:8L1504 4.0 45.8 1.0
CB D:HIS247 4.1 31.1 1.0
C18 D:8L1504 4.1 52.6 1.0
OG C:SER20 4.2 41.3 1.0
CG D:HIS247 4.2 36.6 1.0
CD C:PRO24 4.2 42.2 1.0
CA C:TYR440 4.4 38.6 1.0
CG C:PRO24 4.6 39.8 1.0
C17 D:8L1504 4.6 49.4 1.0
N5 D:8L1504 4.7 72.6 1.0
CB C:SER20 4.7 40.5 1.0
C26 D:8L1504 4.7 76.9 1.0
NE2 D:HIS247 4.9 37.9 1.0
N C:GLY439 4.9 33.8 1.0
O C:SER436 4.9 31.2 1.0

Chlorine binding site 5 out of 8 in 5uqh

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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 P182


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 P182 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl502

b:37.4
occ:1.00
CL E:8L1502 0.0 37.4 1.0
C20 E:8L1502 1.8 39.4 1.0
C21 E:8L1502 2.7 34.0 1.0
C19 E:8L1502 2.8 44.3 1.0
S E:8L1502 3.1 69.0 1.0
O F:GLY439 3.1 27.9 1.0
C F:GLY439 3.3 29.4 1.0
C24 E:8L1502 3.3 61.0 1.0
CD2 E:HIS247 3.6 27.6 1.0
CA F:GLY439 3.6 28.3 1.0
N F:TYR440 3.9 29.3 1.0
CB E:HIS247 4.0 23.6 1.0
O F:VAL22 4.0 49.8 1.0
C22 E:8L1502 4.0 35.5 1.0
OG F:SER20 4.1 25.6 1.0
C18 E:8L1502 4.1 37.4 1.0
CG E:HIS247 4.1 29.2 1.0
O F:HOH652 4.2 39.9 1.0
CD F:PRO24 4.2 34.1 1.0
CA F:TYR440 4.4 29.2 1.0
CG F:PRO24 4.5 33.9 1.0
N5 E:8L1502 4.5 70.3 1.0
CB F:SER20 4.6 29.9 1.0
C17 E:8L1502 4.6 37.7 1.0
C26 E:8L1502 4.7 76.1 1.0
NE2 E:HIS247 4.8 31.0 1.0
N F:GLY439 5.0 28.9 1.0

Chlorine binding site 6 out of 8 in 5uqh

Go back to Chlorine Binding Sites List in 5uqh
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 P182


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 P182 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl503

b:44.3
occ:1.00
CL F:8L1503 0.0 44.3 1.0
C20 F:8L1503 1.8 46.9 1.0
C21 F:8L1503 2.7 41.7 1.0
C19 F:8L1503 2.8 57.8 1.0
S F:8L1503 3.1 85.4 1.0
O G:GLY439 3.2 32.5 1.0
C G:GLY439 3.3 29.5 1.0
C24 F:8L1503 3.3 77.4 1.0
CA G:GLY439 3.6 27.1 1.0
ND1 F:HIS247 3.7 36.0 1.0
N G:TYR440 3.9 24.4 1.0
O G:VAL22 3.9 45.6 1.0
C22 F:8L1503 4.0 45.3 1.0
OG G:SER20 4.1 33.3 1.0
C18 F:8L1503 4.1 50.7 1.0
CD G:PRO24 4.2 35.2 1.0
CB F:HIS247 4.2 30.8 1.0
CG F:HIS247 4.4 37.4 1.0
CA G:TYR440 4.5 25.5 1.0
CG G:PRO24 4.5 37.4 1.0
N5 F:8L1503 4.6 86.4 1.0
CB G:SER20 4.6 30.3 1.0
C17 F:8L1503 4.6 49.5 1.0
C26 F:8L1503 4.7 89.2 1.0
CE1 F:HIS247 4.8 32.9 1.0
N G:GLY439 4.9 29.7 1.0

Chlorine binding site 7 out of 8 in 5uqh

Go back to Chlorine Binding Sites List in 5uqh
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 P182


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 P182 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl503

b:45.3
occ:1.00
CL G:8L1503 0.0 45.3 1.0
C20 G:8L1503 1.8 48.9 1.0
C21 G:8L1503 2.7 43.9 1.0
C19 G:8L1503 2.8 57.4 1.0
S G:8L1503 3.1 85.0 1.0
O H:GLY439 3.1 27.8 1.0
C H:GLY439 3.2 30.2 1.0
C24 G:8L1503 3.3 75.6 1.0
CA H:GLY439 3.5 27.2 1.0
CD2 G:HIS247 3.8 31.1 1.0
N H:TYR440 3.8 26.3 1.0
OG H:SER20 4.0 31.6 1.0
C22 G:8L1503 4.0 39.4 1.0
O H:VAL22 4.1 45.4 1.0
C18 G:8L1503 4.1 48.8 1.0
O H:HOH681 4.1 42.4 1.0
CB G:HIS247 4.1 30.8 1.0
CD H:PRO24 4.2 31.0 1.0
CG G:HIS247 4.3 32.0 1.0
CA H:TYR440 4.4 25.2 1.0
CB H:SER20 4.4 32.7 1.0
CG H:PRO24 4.5 35.1 1.0
C17 G:8L1503 4.6 42.6 1.0
N5 G:8L1503 4.6 83.4 1.0
C26 G:8L1503 4.7 89.1 1.0
N H:GLY439 4.9 26.4 1.0
NE2 G:HIS247 5.0 29.1 1.0

Chlorine binding site 8 out of 8 in 5uqh

Go back to Chlorine Binding Sites List in 5uqh
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 P182


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 P182 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl503

b:33.4
occ:1.00
CL H:8L1503 0.0 33.4 1.0
C20 H:8L1503 1.8 33.5 1.0
C21 H:8L1503 2.7 27.8 1.0
C19 H:8L1503 2.8 38.2 1.0
S H:8L1503 3.1 71.6 1.0
O E:GLY439 3.1 23.5 1.0
C E:GLY439 3.2 28.0 1.0
C24 H:8L1503 3.3 59.8 1.0
CA E:GLY439 3.7 23.5 1.0
CD2 H:HIS247 3.7 28.6 1.0
N E:TYR440 3.8 27.5 1.0
CB H:HIS247 4.0 27.3 1.0
C22 H:8L1503 4.0 29.9 1.0
C18 H:8L1503 4.1 28.9 1.0
O E:VAL22 4.1 41.4 1.0
CG H:HIS247 4.2 27.6 1.0
OG E:SER20 4.2 34.3 1.0
CA E:TYR440 4.3 26.4 1.0
CD E:PRO24 4.3 31.5 1.0
O E:HOH681 4.3 38.5 1.0
CG E:PRO24 4.4 28.8 1.0
C17 H:8L1503 4.6 30.8 1.0
N5 H:8L1503 4.6 69.0 1.0
CB E:SER20 4.7 24.3 1.0
C26 H:8L1503 4.8 74.0 1.0
NE2 H:HIS247 4.9 29.9 1.0
CD1 E:TYR440 5.0 25.8 1.0
N E:GLY439 5.0 20.4 1.0

Reference:

Y.Kim, M.Makowska-Grzyska, N.Maltseva, M.Gu, J.Sacchettini, 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 Mycobacterium Tuberculosis in the Presence of TBK6 To Be Published.
Page generated: Fri Jul 26 18:14:38 2024

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