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Chlorine in PDB 4xq6: Crystal Structure of Dihydroorotate Dehydrogense From Mycobacterium Tuberculosis

Enzymatic activity of Crystal Structure of Dihydroorotate Dehydrogense From Mycobacterium Tuberculosis

All present enzymatic activity of Crystal Structure of Dihydroorotate Dehydrogense From Mycobacterium Tuberculosis:
1.3.5.2;

Protein crystallography data

The structure of Crystal Structure of Dihydroorotate Dehydrogense From Mycobacterium Tuberculosis, PDB code: 4xq6 was solved by C.Kishor, A.Addlagatta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 23.47 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 48.335, 106.921, 65.089, 90.00, 106.21, 90.00
R / Rfree (%) 17.6 / 23.1

Other elements in 4xq6:

The structure of Crystal Structure of Dihydroorotate Dehydrogense From Mycobacterium Tuberculosis also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Dihydroorotate Dehydrogense From Mycobacterium Tuberculosis (pdb code 4xq6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Dihydroorotate Dehydrogense From Mycobacterium Tuberculosis, PDB code: 4xq6:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 4xq6

Go back to Chlorine Binding Sites List in 4xq6
Chlorine binding site 1 out of 5 in the Crystal Structure of Dihydroorotate Dehydrogense From Mycobacterium Tuberculosis


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 Dihydroorotate Dehydrogense From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:29.6
occ:1.00
 O A:HOH573 2.9 30.0 1.0
OG1 A:THR182 3.0 26.1 1.0
N A:PHE119 3.3 21.7 1.0
NE2 A:GLN96 3.8 30.1 1.0
CB A:THR182 3.8 25.4 1.0
CA A:GLY118 3.8 21.2 1.0
CD A:LYS148 3.9 25.6 1.0
CG2 A:THR182 3.9 24.8 1.0
CB A:LYS148 4.0 21.7 1.0
CG A:LYS148 4.0 23.3 1.0
C A:GLY118 4.1 21.2 1.0
CB A:PHE119 4.1 23.4 1.0
CA A:THR182 4.1 24.1 1.0
CG A:PHE119 4.2 23.4 1.0
CD2 A:PHE119 4.2 23.2 1.0
CA A:PHE119 4.3 23.3 1.0
O A:HOH606 4.4 32.0 1.0
O A:ASN181 4.6 22.1 1.0
CA A:LYS148 4.7 19.9 1.0
CE A:LYS148 4.7 30.2 1.0
CD A:GLN96 4.8 28.5 1.0
N A:THR182 4.8 23.7 1.0
C A:PHE119 4.9 23.0 1.0
CD1 A:PHE119 5.0 23.6 1.0
CE2 A:PHE119 5.0 23.3 1.0
N A:LYS148 5.0 18.4 1.0

Chlorine binding site 2 out of 5 in 4xq6

Go back to Chlorine Binding Sites List in 4xq6
Chlorine binding site 2 out of 5 in the Crystal Structure of Dihydroorotate Dehydrogense From Mycobacterium Tuberculosis


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 Dihydroorotate Dehydrogense From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:24.6
occ:1.00
 O A:HOH601 2.8 18.9 1.0
OG1 A:THR242 3.0 25.2 1.0
O A:HOH600 3.2 13.5 1.0
ND2 A:ASN115 3.3 22.4 1.0
CA A:GLY261 3.6 26.4 1.0
CB A:ASN115 3.7 22.8 1.0
N A:GLY261 3.7 25.5 1.0
CG2 A:THR242 3.8 24.7 1.0
CG A:PRO180 3.8 18.5 1.0
CD A:PRO180 3.9 17.7 1.0
CB A:THR242 3.9 23.2 1.0
ND2 A:ASN181 3.9 20.3 1.0
CG A:ASN115 4.0 23.0 1.0
O A:ASN115 4.2 26.0 1.0
C A:GLY261 4.3 25.2 1.0
CG A:ASN181 4.4 20.6 1.0
O A:HOH605 4.5 29.1 1.0
O A:GLY261 4.5 23.9 1.0
OD1 A:ASN181 4.7 21.4 1.0
N A:PRO180 4.8 17.8 1.0
CA A:ASN115 4.8 25.7 1.0
C A:ASN115 4.8 27.8 1.0
OD1 A:ASN241 4.8 16.9 1.0
C9A A:FMN401 4.9 16.3 1.0
C A:GLY260 5.0 30.7 1.0

Chlorine binding site 3 out of 5 in 4xq6

Go back to Chlorine Binding Sites List in 4xq6
Chlorine binding site 3 out of 5 in the Crystal Structure of Dihydroorotate Dehydrogense From Mycobacterium Tuberculosis


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 Dihydroorotate Dehydrogense From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:38.3
occ:1.00
 O B:HOH596 3.1 21.2 0.5
O B:HOH593 3.1 26.0 1.0
OG1 B:THR242 3.1 19.3 1.0
ND2 B:ASN115 3.1 37.3 1.0
CG B:PRO180 3.5 43.5 1.0
CD B:PRO180 3.6 40.4 1.0
CB B:ASN115 3.7 35.3 1.0
ND2 B:ASN181 3.7 46.9 1.0
CG2 B:THR242 3.8 23.8 1.0
CA B:GLY261 3.8 24.4 1.0
CG B:ASN115 3.9 36.3 1.0
N B:GLY261 3.9 25.9 1.0
CB B:THR242 3.9 21.3 1.0
O B:ASN115 4.2 27.5 1.0
CG B:ASN181 4.3 45.8 1.0
O B:GLY261 4.5 25.4 1.0
C B:GLY261 4.5 22.1 1.0
OD1 B:ASN181 4.6 50.8 1.0
N B:PRO180 4.8 36.7 1.0
OD1 B:ASN241 4.8 20.4 1.0
C B:ASN115 4.9 33.9 1.0
CA B:ASN115 4.9 33.5 1.0
CB B:PRO180 4.9 42.0 1.0

Chlorine binding site 4 out of 5 in 4xq6

Go back to Chlorine Binding Sites List in 4xq6
Chlorine binding site 4 out of 5 in the Crystal Structure of Dihydroorotate Dehydrogense From Mycobacterium Tuberculosis


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 Dihydroorotate Dehydrogense From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl404

b:45.0
occ:1.00
 OG1 B:THR182 3.1 42.4 1.0
O B:HOH603 3.2 46.4 1.0
N B:PHE119 3.4 28.7 1.0
CD B:LYS148 3.9 47.7 1.0
CG2 B:THR182 3.9 46.1 1.0
CB B:THR182 3.9 47.0 1.0
CA B:GLY118 4.0 33.6 1.0
CB B:PHE119 4.0 34.3 1.0
CG B:LYS148 4.1 42.5 1.0
CB B:LYS148 4.2 39.7 1.0
C B:GLY118 4.2 31.1 1.0
CG B:PHE119 4.3 33.8 1.0
CA B:THR182 4.3 48.7 1.0
CA B:PHE119 4.3 29.6 1.0
NE2 B:GLN96 4.3 31.7 1.0
CD2 B:PHE119 4.4 37.1 1.0
O B:HOH597 4.7 38.3 1.0
CE B:LYS148 4.8 48.0 1.0
O B:ASN181 4.8 53.5 1.0
C B:PHE119 4.9 27.8 1.0
N B:THR182 5.0 49.8 1.0

Chlorine binding site 5 out of 5 in 4xq6

Go back to Chlorine Binding Sites List in 4xq6
Chlorine binding site 5 out of 5 in the Crystal Structure of Dihydroorotate Dehydrogense From Mycobacterium Tuberculosis


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 Dihydroorotate Dehydrogense From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl405

b:25.9
occ:1.00
 CD B:ARG133 3.2 38.6 1.0
NH1 B:ARG133 3.5 35.1 1.0
NE B:ARG133 4.1 38.5 1.0
CZ B:ARG133 4.2 35.2 1.0
CG B:ARG133 4.2 39.1 1.0

Reference:

C.Kishor, A.Addlagatta. Crystal Structure of Dihydroorotate Dehydrogenase Form Mycobacterium Tuberculosis To Be Published.
Page generated: Sat Dec 12 11:21:08 2020

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