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Caesium 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
Chlorine (Cl) 4 atoms

Caesium Binding Sites:

The binding sites of Caesium 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 Caesium atom.
In total 4 binding sites of Caesium where determined in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD6309-Bound Form, PDB code: 6ub9:
Jump to Caesium binding site number: 1; 2; 3; 4;

Caesium binding site 1 out of 4 in 6ub9

Go back to Caesium Binding Sites List in 6ub9
Caesium 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 Caesium with other atoms in the Cs 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:Cs503

b:0.8
occ:1.00
 O B:GLY322 3.2 33.1 1.0
OG1 B:THR284 3.2 33.5 1.0
O B:TYR320 3.2 39.7 1.0
O B:GLY246 3.4 37.5 1.0
O B:ALA282 3.5 33.5 1.0
O B:HOH616 3.5 31.9 1.0
O B:VAL245 3.8 27.6 1.0
CB B:THR284 3.9 32.5 1.0
C B:GLY246 4.1 33.8 1.0
CA B:GLY246 4.1 29.8 1.0
C B:GLY322 4.3 30.7 1.0
C B:TYR320 4.4 37.0 1.0
N B:THR284 4.5 32.5 1.0
O B:LEU318 4.6 30.9 1.0
C B:VAL245 4.6 29.0 1.0
C B:ALA282 4.7 35.1 1.0
OE1 B:GLU270 4.7 37.9 1.0
CB B:GLU270 4.7 32.4 1.0
CB B:VAL323 4.8 25.2 1.0
N B:GLY322 4.8 32.1 1.0
CB B:ALA282 4.8 32.7 1.0
N B:GLY246 4.9 30.5 1.0
CA B:THR284 4.9 33.2 1.0
CB B:TYR320 4.9 36.8 1.0
CG2 B:THR284 5.0 33.3 1.0

Caesium binding site 2 out of 4 in 6ub9

Go back to Caesium Binding Sites List in 6ub9
Caesium 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 Caesium with other atoms in the Cs 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:Cs503

b:47.6
occ:0.50
 OG1 D:THR284 3.0 36.2 1.0
O D:TYR320 3.0 36.8 1.0
O D:HOH613 3.0 35.3 1.0
O D:GLY322 3.1 31.3 1.0
O D:GLY246 3.1 35.6 1.0
O D:HOH628 3.2 45.5 1.0
O D:ALA282 3.3 28.1 1.0
CB D:THR284 3.9 35.9 1.0
O D:VAL245 3.9 30.2 1.0
C D:GLY246 4.0 32.8 1.0
C D:TYR320 4.2 33.0 1.0
CA D:GLY246 4.2 29.9 1.0
C D:GLY322 4.3 30.6 1.0
O D:LEU318 4.4 30.1 1.0
N D:THR284 4.4 33.0 1.0
C D:ALA282 4.5 29.3 1.0
C D:VAL245 4.7 29.4 1.0
CB D:ALA282 4.7 24.3 1.0
CA D:THR284 4.8 35.1 1.0
CB D:VAL323 4.8 24.7 1.0
CB D:TYR320 4.8 30.3 1.0
N D:GLY322 4.8 32.5 1.0
C D:PRO321 4.9 33.8 1.0
CD2 D:TYR320 4.9 29.9 1.0
OE1 D:GLU270 4.9 43.3 1.0
CA D:TYR320 4.9 32.5 1.0
CG2 D:THR284 4.9 36.5 1.0
CB D:GLU270 5.0 32.6 1.0
N D:GLY246 5.0 29.6 1.0

Caesium binding site 3 out of 4 in 6ub9

Go back to Caesium Binding Sites List in 6ub9
Caesium 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 Caesium with other atoms in the Cs 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:Cs503

b:0.3
occ:1.00
 OG1 F:THR284 3.1 27.3 1.0
O F:TYR320 3.2 36.8 1.0
O F:GLY322 3.2 30.5 1.0
O F:GLY246 3.3 33.6 1.0
O F:ALA282 3.4 32.1 1.0
O F:HOH615 3.5 46.6 1.0
O F:VAL245 3.8 30.2 1.0
CB F:THR284 3.8 32.8 1.0
C F:GLY246 4.1 34.1 1.0
CA F:GLY246 4.2 35.4 1.0
N F:THR284 4.3 34.1 1.0
C F:TYR320 4.4 34.5 1.0
C F:GLY322 4.4 29.2 1.0
O F:LEU318 4.5 38.9 1.0
C F:ALA282 4.5 34.6 1.0
C F:VAL245 4.6 30.7 1.0
CA F:THR284 4.7 33.9 1.0
OE1 F:GLU270 4.8 48.2 1.0
CB F:GLU270 4.8 38.0 1.0
CB F:VAL323 4.9 28.0 1.0
CB F:ALA282 4.9 33.6 1.0
N F:GLY322 4.9 27.3 1.0
CG2 F:THR284 4.9 28.1 1.0
N F:GLY246 4.9 34.6 1.0
CD2 F:TYR320 5.0 33.0 1.0

Caesium binding site 4 out of 4 in 6ub9

Go back to Caesium Binding Sites List in 6ub9
Caesium 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 Caesium with other atoms in the Cs 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:Cs504

b:72.6
occ:0.65
 OG1 H:THR284 2.9 26.8 1.0
O H:GLY246 3.2 31.0 1.0
O H:GLY322 3.2 29.7 1.0
O H:TYR320 3.2 35.9 1.0
O H:HOH628 3.3 35.4 1.0
O H:ALA282 3.4 32.7 1.0
CB H:THR284 3.6 29.0 1.0
O H:VAL245 3.8 26.7 1.0
C H:GLY246 4.1 30.9 1.0
C H:GLY322 4.3 28.8 1.0
C H:TYR320 4.3 34.6 1.0
N H:THR284 4.3 29.9 1.0
CA H:GLY246 4.4 28.1 1.0
O H:LEU318 4.6 27.2 1.0
C H:ALA282 4.6 31.0 1.0
CA H:THR284 4.7 29.6 1.0
CG2 H:THR284 4.7 28.1 1.0
OE1 H:GLU270 4.7 36.3 1.0
CB H:GLU270 4.7 30.5 1.0
C H:VAL245 4.8 25.9 1.0
CB H:VAL323 4.8 22.3 1.0
N H:GLY322 4.9 31.2 1.0
CG2 H:VAL323 4.9 21.8 1.0
CB H:ALA282 4.9 24.5 1.0
CB H:TYR320 4.9 30.3 1.0
C H:PRO321 5.0 33.4 1.0
CD2 H:TYR320 5.0 28.7 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: Tue Jul 30 20:58:28 2024

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