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Chlorine in PDB 6ub9: Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD6309-Bound Form

Enzymatic activity of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD6309-Bound Form

All present enzymatic activity of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD6309-Bound Form:
4.2.1.20;

Protein crystallography data

The structure of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD6309-Bound Form, PDB code: 6ub9 was solved by C.Chang, K.Michalska, N.I.Maltseva, R.Jedrzejczak, P.Mccarren, P.P.Nag, A.Joachimiak, K.Satchell, Center For Structural Genomics Of Infectiousdiseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.89 / 2.78
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 135.373, 159.619, 164.932, 90.00, 90.00, 90.00
R / Rfree (%) 16.9 / 21

Other elements in 6ub9:

The structure of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD6309-Bound Form also contains other interesting chemical elements:

Fluorine (F) 12 atoms
Caesium (Cs) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD6309-Bound Form (pdb code 6ub9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD6309-Bound Form, PDB code: 6ub9:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6ub9

Go back to Chlorine Binding Sites List in 6ub9
Chlorine binding site 1 out of 4 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD6309-Bound Form


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 Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD6309-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:40.5
occ:1.00
CL1 B:H9V502 0.0 40.5 1.0
C10 B:H9V502 1.7 38.1 1.0
C9 B:H9V502 2.7 37.9 1.0
C11 B:H9V502 2.7 37.2 1.0
CE2 B:PHE211 3.3 24.1 1.0
CD2 B:PHE211 3.4 25.1 1.0
CB B:PHE202 3.5 31.5 1.0
CZ B:PHE211 3.5 23.5 1.0
CG B:PHE211 3.6 21.5 1.0
CG B:PHE202 3.6 31.6 1.0
CE1 B:PHE211 3.7 24.5 1.0
CD1 B:PHE211 3.7 21.3 1.0
CD2 B:TYR200 3.8 34.0 1.0
CE2 B:TYR200 3.9 34.7 1.0
C8 B:H9V502 4.0 37.9 1.0
C12 B:H9V502 4.0 38.2 1.0
CD2 B:PHE202 4.0 31.4 1.0
CD1 B:PHE202 4.1 32.0 1.0
CD B:PRO208 4.2 26.4 1.0
CG B:TYR200 4.3 33.6 1.0
CZ B:TYR200 4.4 35.0 1.0
CB B:PHE211 4.4 23.6 1.0
C7 B:H9V502 4.5 39.5 1.0
CZ3 B:TRP191 4.6 27.7 1.0
CA B:PHE202 4.7 32.1 1.0
CG B:PRO208 4.8 26.9 1.0
CE2 B:PHE202 4.8 31.3 1.0
CD1 B:TYR200 4.8 34.3 1.0
CE1 B:TYR200 4.9 33.7 1.0
CE1 B:PHE202 4.9 31.9 1.0
F2 B:H9V502 4.9 39.1 1.0
O B:TYR200 5.0 34.6 1.0
N B:PHE202 5.0 30.4 1.0
CB B:TYR200 5.0 33.3 1.0
F1 B:H9V502 5.0 38.1 1.0

Chlorine binding site 2 out of 4 in 6ub9

Go back to Chlorine Binding Sites List in 6ub9
Chlorine binding site 2 out of 4 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD6309-Bound Form


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 Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD6309-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl502

b:59.1
occ:0.76
CL1 D:H9V502 0.0 59.1 0.8
C10 D:H9V502 1.7 60.6 0.8
C11 D:H9V502 2.7 60.7 0.8
C9 D:H9V502 2.7 60.7 0.8
CE2 D:PHE211 3.3 28.5 1.0
CD2 D:PHE211 3.3 27.6 1.0
CG D:PHE202 3.5 42.8 1.0
CZ D:PHE211 3.5 27.6 1.0
CB D:PHE202 3.6 38.2 1.0
CG D:PHE211 3.7 26.8 1.0
CD1 D:PHE202 3.7 44.5 1.0
CD2 D:TYR200 3.7 30.2 1.0
CE1 D:PHE211 3.9 27.8 1.0
CE2 D:TYR200 3.9 28.5 1.0
CD1 D:PHE211 3.9 27.4 1.0
C12 D:H9V502 4.0 60.3 0.8
CD2 D:PHE202 4.0 43.4 1.0
C8 D:H9V502 4.0 60.0 0.8
CD D:PRO208 4.2 29.7 1.0
CG D:TYR200 4.3 28.8 1.0
CE1 D:PHE202 4.3 45.0 1.0
CZ3 D:TRP191 4.4 24.4 1.0
CB D:PHE211 4.5 27.5 1.0
CZ D:TYR200 4.6 33.4 1.0
C7 D:H9V502 4.6 59.8 0.8
CE2 D:PHE202 4.6 44.4 1.0
CA D:PHE202 4.7 33.0 1.0
CZ D:PHE202 4.8 45.2 1.0
CG D:PRO208 4.8 27.8 1.0
CB D:TYR200 4.8 28.9 1.0
CD1 D:TYR200 4.9 29.6 1.0
F1 D:H9V502 4.9 60.8 0.8
CE3 D:TRP191 5.0 24.6 1.0

Chlorine binding site 3 out of 4 in 6ub9

Go back to Chlorine Binding Sites List in 6ub9
Chlorine binding site 3 out of 4 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD6309-Bound Form


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 Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD6309-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl502

b:43.1
occ:1.00
CL1 F:H9V502 0.0 43.1 1.0
C10 F:H9V502 1.7 43.8 1.0
C9 F:H9V502 2.7 43.2 1.0
C11 F:H9V502 2.7 43.8 1.0
CD2 F:PHE211 3.4 25.9 1.0
CE2 F:PHE211 3.4 24.6 1.0
CB F:PHE202 3.4 33.8 1.0
CG F:PHE202 3.5 33.5 1.0
CG F:PHE211 3.6 26.8 1.0
CZ F:PHE211 3.7 26.9 1.0
CD1 F:PHE211 3.8 24.4 1.0
CD2 F:PHE202 3.8 32.9 1.0
CE1 F:PHE211 3.8 23.6 1.0
CD2 F:TYR200 3.9 34.5 1.0
C8 F:H9V502 4.0 44.6 1.0
C12 F:H9V502 4.0 44.5 1.0
CD F:PRO208 4.0 31.8 1.0
CE2 F:TYR200 4.1 35.1 1.0
CD1 F:PHE202 4.1 32.3 1.0
CB F:PHE211 4.4 22.9 1.0
CG F:TYR200 4.5 32.6 1.0
C7 F:H9V502 4.6 45.8 1.0
CE2 F:PHE202 4.6 32.7 1.0
CZ3 F:TRP191 4.6 29.1 1.0
CG F:PRO208 4.7 32.6 1.0
CZ F:TYR200 4.8 34.8 1.0
CA F:PHE202 4.8 33.8 1.0
CE1 F:PHE202 4.8 32.3 1.0
CB F:TYR200 5.0 31.6 1.0

Chlorine binding site 4 out of 4 in 6ub9

Go back to Chlorine Binding Sites List in 6ub9
Chlorine binding site 4 out of 4 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD6309-Bound Form


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 Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD6309-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl503

b:42.7
occ:1.00
CL1 H:H9V503 0.0 42.7 1.0
C10 H:H9V503 1.7 41.7 1.0
C11 H:H9V503 2.7 41.2 1.0
C9 H:H9V503 2.7 40.6 1.0
CD2 H:PHE211 3.4 23.9 1.0
CE2 H:PHE211 3.4 22.6 1.0
CB H:PHE202 3.4 28.1 1.0
CG H:PHE211 3.6 21.6 1.0
CG H:PHE202 3.6 27.1 1.0
CZ H:PHE211 3.6 22.4 1.0
CD1 H:PHE211 3.7 23.5 1.0
CE1 H:PHE211 3.7 23.6 1.0
C12 H:H9V503 4.0 42.3 1.0
C8 H:H9V503 4.0 40.1 1.0
CD1 H:PHE202 4.0 27.3 1.0
CD2 H:TYR200 4.0 29.8 1.0
CD2 H:PHE202 4.0 24.1 1.0
CE2 H:TYR200 4.2 30.8 1.0
CD H:PRO208 4.2 23.2 1.0
CB H:PHE211 4.4 21.3 1.0
CG H:TYR200 4.4 28.1 1.0
C7 H:H9V503 4.5 40.9 1.0
CZ3 H:TRP191 4.7 26.2 1.0
CZ H:TYR200 4.7 31.5 1.0
CA H:PHE202 4.7 29.2 1.0
CG H:PRO208 4.8 23.6 1.0
CE1 H:PHE202 4.8 27.6 1.0
CE2 H:PHE202 4.8 25.4 1.0
CD1 H:TYR200 4.9 29.0 1.0
F1 H:H9V503 5.0 45.6 1.0
O H:TYR200 5.0 26.7 1.0
CB H:TYR200 5.0 27.8 1.0
CA H:GLY207 5.0 26.9 1.0
F2 H:H9V503 5.0 40.5 1.0

Reference:

C.Chang, K.Michalska, N.I.Maltseva, R.Jedrzejczak, P.Mccarren, P.P.Nag, A.Joachimiak, K.Satchell, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD6309-Bound Form To Be Published.
Page generated: Mon Jul 29 15:48:38 2024

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