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Chlorine in PDB 6uap: Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Open Form with BRD6309 Bound

Enzymatic activity of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Open Form with BRD6309 Bound

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

Protein crystallography data

The structure of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Open Form with BRD6309 Bound, PDB code: 6uap 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) 29.65 / 2.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 134.777, 157.877, 166.690, 90.00, 90.00, 90.00
R / Rfree (%) 17.1 / 21.1

Other elements in 6uap:

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

Fluorine (F) 12 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Open Form with BRD6309 Bound (pdb code 6uap). 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 - Open Form with BRD6309 Bound, PDB code: 6uap:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6uap

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


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 - Open Form with BRD6309 Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:50.3
occ:1.00
 CL1 B:H9V501 0.0 50.3 1.0
C10 B:H9V501 1.7 52.8 1.0
C9 B:H9V501 2.7 51.9 1.0
C11 B:H9V501 2.7 54.9 1.0
CE2 B:PHE211 3.3 33.0 1.0
CD2 B:PHE211 3.4 30.2 1.0
CB B:PHE202 3.5 38.8 1.0
CZ B:PHE211 3.5 30.8 1.0
CG B:PHE211 3.5 26.7 1.0
CE1 B:PHE211 3.7 27.8 1.0
CD1 B:PHE211 3.7 28.2 1.0
CG B:PHE202 3.7 43.0 1.0
C8 B:H9V501 4.0 54.0 1.0
C12 B:H9V501 4.0 55.8 1.0
CD2 B:TYR200 4.0 51.5 1.0
CD1 B:PHE202 4.1 42.4 1.0
CD2 B:PHE202 4.2 48.0 1.0
CE2 B:TYR200 4.2 52.5 1.0
CD B:PRO208 4.2 24.7 1.0
CB B:PHE211 4.3 22.6 1.0
CG B:TYR200 4.5 45.4 1.0
C7 B:H9V501 4.5 53.8 1.0
CG B:PRO208 4.7 26.9 1.0
CA B:PHE202 4.7 37.6 1.0
CZ B:TYR200 4.8 51.1 1.0
CZ3 B:TRP191 4.8 38.0 1.0
CE1 B:PHE202 4.9 43.5 1.0
N B:PHE202 5.0 37.4 1.0
CE2 B:PHE202 5.0 48.0 1.0
CB B:TYR200 5.0 39.8 1.0
CD1 B:TYR200 5.0 46.7 1.0

Chlorine binding site 2 out of 4 in 6uap

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Chlorine binding site 2 out of 4 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Open Form with BRD6309 Bound


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 - Open Form with BRD6309 Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl501

b:62.4
occ:1.00
 CL1 D:H9V501 0.0 62.4 1.0
C10 D:H9V501 1.7 60.6 1.0
C11 D:H9V501 2.7 62.1 1.0
C9 D:H9V501 2.7 60.8 1.0
CB D:PHE202 3.5 42.8 1.0
CD2 D:PHE211 3.5 35.4 1.0
CE2 D:PHE211 3.5 34.7 1.0
CG D:PHE211 3.5 33.7 1.0
CZ D:PHE211 3.6 32.6 1.0
CD1 D:PHE211 3.6 34.3 1.0
CE1 D:PHE211 3.6 31.3 1.0
CG D:PHE202 3.7 47.6 1.0
C8 D:H9V501 4.0 63.8 1.0
C12 D:H9V501 4.0 62.5 1.0
CD2 D:TYR200 4.0 51.7 1.0
CD1 D:PHE202 4.2 48.2 1.0
CD2 D:PHE202 4.2 47.8 1.0
CE2 D:TYR200 4.2 52.9 1.0
CB D:PHE211 4.3 29.5 1.0
CD D:PRO208 4.4 25.6 1.0
CG D:TYR200 4.4 48.3 1.0
C7 D:H9V501 4.6 62.1 1.0
CA D:PHE202 4.7 37.8 1.0
CZ3 D:TRP191 4.7 34.6 1.0
CZ D:TYR200 4.8 53.6 1.0
CG D:PRO208 4.9 29.1 1.0
CB D:TYR200 4.9 43.3 1.0
N D:PHE202 4.9 32.3 1.0
CD1 D:TYR200 5.0 49.7 1.0
CE1 D:PHE202 5.0 48.0 1.0
O D:TYR200 5.0 41.2 1.0

Chlorine binding site 3 out of 4 in 6uap

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


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 - Open Form with BRD6309 Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl501

b:50.2
occ:1.00
 CL1 F:H9V501 0.0 50.2 1.0
C10 F:H9V501 1.7 45.1 1.0
C9 F:H9V501 2.7 45.1 1.0
C11 F:H9V501 2.7 42.0 1.0
CE1 F:PHE211 3.4 36.4 1.0
CZ F:PHE211 3.5 34.7 1.0
CD1 F:PHE211 3.5 41.5 1.0
CB F:PHE202 3.5 30.4 1.0
CE2 F:PHE211 3.5 39.0 1.0
CG F:PHE211 3.5 41.2 1.0
CD2 F:PHE211 3.6 40.3 1.0
CG F:PHE202 3.8 30.1 1.0
CD2 F:TYR200 3.8 37.8 1.0
C8 F:H9V501 4.0 47.2 1.0
C12 F:H9V501 4.0 41.6 1.0
CE2 F:TYR200 4.1 40.6 1.0
CD F:PRO208 4.2 28.6 1.0
CD1 F:PHE202 4.2 32.4 1.0
CD2 F:PHE202 4.3 32.5 1.0
CB F:PHE211 4.4 37.9 1.0
CG F:TYR200 4.4 37.0 1.0
C7 F:H9V501 4.5 44.5 1.0
CZ3 F:TRP191 4.6 38.4 1.0
CG F:PRO208 4.7 29.2 1.0
CA F:PHE202 4.7 34.0 1.0
CZ F:TYR200 4.8 42.0 1.0
O F:TYR200 4.9 39.5 1.0
CB F:TYR200 4.9 36.7 1.0
N F:PHE202 4.9 35.0 1.0
F2 F:H9V501 5.0 51.1 1.0

Chlorine binding site 4 out of 4 in 6uap

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


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 - Open Form with BRD6309 Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl501

b:45.5
occ:1.00
 CL1 H:H9V501 0.0 45.5 1.0
C10 H:H9V501 1.7 45.0 1.0
C11 H:H9V501 2.7 45.4 1.0
C9 H:H9V501 2.7 41.8 1.0
CE2 H:PHE211 3.4 26.4 1.0
CD2 H:PHE211 3.4 33.9 1.0
CZ H:PHE211 3.4 25.3 1.0
CG H:PHE211 3.5 35.9 1.0
CE1 H:PHE211 3.5 27.1 1.0
CB H:PHE202 3.5 35.8 1.0
CD1 H:PHE211 3.6 32.0 1.0
CG H:PHE202 3.8 37.2 1.0
CD2 H:TYR200 4.0 36.2 1.0
C12 H:H9V501 4.0 48.4 1.0
C8 H:H9V501 4.0 46.2 1.0
CD1 H:PHE202 4.2 36.3 1.0
CD H:PRO208 4.2 30.0 1.0
CD2 H:PHE202 4.3 38.5 1.0
CE2 H:TYR200 4.3 36.2 1.0
CG H:TYR200 4.4 36.3 1.0
CB H:PHE211 4.4 33.8 1.0
CZ3 H:TRP191 4.4 32.5 1.0
C7 H:H9V501 4.6 48.6 1.0
O H:TYR200 4.7 36.0 1.0
CA H:PHE202 4.7 36.9 1.0
CB H:TYR200 4.8 30.5 1.0
CG H:PRO208 4.8 30.4 1.0
CZ H:TYR200 4.9 38.5 1.0
N H:PHE202 4.9 38.6 1.0
CD1 H:TYR200 5.0 39.3 1.0
CE1 H:PHE202 5.0 34.3 1.0

Reference:

C.Chang, K.Michalska, N.I.Maltseva, R.Jedrzejczak, P.Mccarren, P.P.Nag, A.Joachimiak, K.Satchell. Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Open Form with BRD6309 Bound To Be Published.
Page generated: Mon Jul 29 15:47:44 2024

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