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Caesium in PDB 6dwe: Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD0059-Bound Form

Enzymatic activity of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD0059-Bound Form

All present enzymatic activity of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD0059-Bound Form:
4.2.1.20;

Protein crystallography data

The structure of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD0059-Bound Form, PDB code: 6dwe 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) 29.90 / 2.69
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 135.093, 159.396, 165.226, 90.00, 90.00, 90.00
R / Rfree (%) 15.6 / 20.2

Other elements in 6dwe:

The structure of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD0059-Bound Form also contains other interesting chemical elements:

Fluorine (F) 12 atoms

Caesium Binding Sites:

The binding sites of Caesium atom in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD0059-Bound Form (pdb code 6dwe). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 9 binding sites of Caesium where determined in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD0059-Bound Form, PDB code: 6dwe:
Jump to Caesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Caesium binding site 1 out of 9 in 6dwe

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Caesium binding site 1 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD0059-Bound Form


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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 BRD0059-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs502

b:67.2
occ:0.48
 O B:TYR320 3.1 38.7 1.0
OG1 B:THR284 3.1 37.6 1.0
O B:HOH621 3.1 35.3 1.0
O B:GLY322 3.1 37.6 1.0
O B:GLY246 3.2 30.1 1.0
O B:HOH649 3.2 27.5 1.0
O B:ALA282 3.4 27.1 1.0
O B:VAL245 3.8 30.3 1.0
C B:GLY246 4.0 26.2 1.0
CB B:THR284 4.0 33.4 1.0
CA B:GLY246 4.1 20.1 1.0
C B:TYR320 4.2 32.1 1.0
C B:GLY322 4.3 28.0 1.0
O B:LEU318 4.4 32.0 1.0
N B:THR284 4.6 29.3 1.0
C B:ALA282 4.6 30.8 1.0
CB B:TYR320 4.6 27.8 1.0
C B:VAL245 4.6 32.7 1.0
CB B:ALA282 4.8 17.1 1.0
N B:GLY322 4.8 28.8 1.0
CD2 B:TYR320 4.8 26.9 1.0
CA B:TYR320 4.9 30.3 1.0
CB B:GLU270 4.9 28.4 1.0
N B:GLY246 4.9 33.6 1.0
OE1 B:GLU270 4.9 44.7 1.0
CB B:VAL323 4.9 25.8 1.0
CA B:THR284 5.0 25.8 1.0
C B:PRO321 5.0 35.5 1.0

Caesium binding site 2 out of 9 in 6dwe

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Caesium binding site 2 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD0059-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 BRD0059-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs503

b:0.7
occ:0.46
 O D:HOH732 3.2 38.7 1.0
O D:GLY67 3.2 36.3 1.0
O B:HOH738 3.3 30.4 1.0
O B:GLY67 3.3 41.3 1.0
O D:PRO69 3.3 42.4 1.0
O B:PRO69 3.5 44.1 1.0
OE1 H:GLN52 3.5 83.8 1.0
O D:HOH687 3.6 49.0 1.0
C D:GLY67 4.3 32.1 1.0
C B:GLY67 4.3 30.6 1.0
C D:PRO69 4.4 28.4 1.0
C D:ARG68 4.5 32.6 1.0
N D:PRO69 4.5 29.5 1.0
O D:ARG68 4.5 45.4 1.0
CD H:GLN52 4.5 62.9 1.0
C B:PRO69 4.5 29.4 1.0
CD D:PRO69 4.6 23.1 1.0
C B:ARG68 4.7 30.3 1.0
N B:PRO69 4.7 30.9 1.0
NE2 H:GLN52 4.7 49.2 1.0
O B:ARG68 4.7 42.8 1.0
CD B:PRO69 4.8 16.9 1.0
O B:HOH618 4.8 38.8 1.0
CA B:GLY67 5.0 31.9 1.0
CA D:GLY67 5.0 31.1 1.0

Caesium binding site 3 out of 9 in 6dwe

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Caesium binding site 3 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD0059-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 BRD0059-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs504

b:0.2
occ:0.74
 O B:TRP403 3.3 43.0 1.0
O B:HOH748 3.5 30.4 1.0
O B:HOH745 3.5 50.2 1.0
O B:LYS402 3.6 42.6 1.0
C B:TRP403 4.0 25.7 1.0
CA B:TRP403 4.4 17.4 1.0
N B:GLY405 4.7 32.7 1.0
C B:LYS402 4.7 36.4 1.0

Caesium binding site 4 out of 9 in 6dwe

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Caesium binding site 4 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD0059-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 BRD0059-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cs502

b:68.4
occ:0.56
 OG1 H:THR284 3.0 21.0 1.0
O H:TYR320 3.1 37.0 1.0
O H:HOH608 3.1 51.8 1.0
O H:GLY322 3.1 35.2 1.0
O H:HOH683 3.1 17.0 1.0
O H:GLY246 3.2 21.7 1.0
O H:ALA282 3.3 35.3 1.0
O H:VAL245 3.8 28.4 1.0
CB H:THR284 3.8 27.9 1.0
C H:GLY246 4.0 27.3 1.0
CA H:GLY246 4.2 21.0 1.0
C H:TYR320 4.2 32.6 1.0
C H:GLY322 4.3 27.4 1.0
N H:THR284 4.4 22.3 1.0
O H:LEU318 4.4 24.8 1.0
C H:ALA282 4.5 26.6 1.0
C H:VAL245 4.7 27.9 1.0
OE1 H:GLU270 4.7 39.5 1.0
CB H:GLU270 4.7 23.5 1.0
CB H:ALA282 4.8 21.1 1.0
CB H:TYR320 4.8 22.3 1.0
CA H:THR284 4.8 23.6 1.0
CD2 H:TYR320 4.8 17.0 1.0
N H:GLY322 4.8 28.5 1.0
CB H:VAL323 4.9 21.4 1.0
N H:GLY246 4.9 24.1 1.0
CG2 H:THR284 4.9 26.5 1.0
C H:PRO321 4.9 31.7 1.0
CA H:TYR320 5.0 24.3 1.0

Caesium binding site 5 out of 9 in 6dwe

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Caesium binding site 5 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD0059-Bound Form


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD0059-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cs502

b:76.1
occ:0.57
 OG1 F:THR284 3.0 35.2 1.0
O F:TYR320 3.0 33.6 1.0
O F:HOH613 3.1 58.5 1.0
O F:GLY322 3.1 37.1 1.0
O F:ALA282 3.2 29.9 1.0
O F:GLY246 3.2 38.8 1.0
O F:HOH672 3.3 44.9 1.0
CB F:THR284 3.8 31.4 1.0
O F:VAL245 3.9 34.6 1.0
C F:GLY246 4.1 33.8 1.0
C F:TYR320 4.2 31.4 1.0
CA F:GLY246 4.3 33.5 1.0
C F:GLY322 4.3 33.2 1.0
N F:THR284 4.3 31.5 1.0
C F:ALA282 4.4 36.8 1.0
O F:LEU318 4.5 35.8 1.0
CA F:THR284 4.7 31.3 1.0
CB F:ALA282 4.8 34.1 1.0
C F:VAL245 4.8 39.6 1.0
N F:GLY322 4.8 27.3 1.0
OE1 F:GLU270 4.8 39.7 1.0
CB F:VAL323 4.9 25.4 1.0
CB F:GLU270 4.9 38.4 1.0
C F:PRO321 4.9 28.3 1.0
CB F:TYR320 4.9 36.0 1.0
CD2 F:TYR320 4.9 37.5 1.0
CG2 F:THR284 4.9 34.8 1.0

Caesium binding site 6 out of 9 in 6dwe

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Caesium binding site 6 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD0059-Bound Form


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 6 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD0059-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cs503

b:0.3
occ:0.56
 O F:LEU142 3.1 41.0 1.0
O F:HOH718 3.2 66.5 1.0
O F:HOH622 3.5 43.9 1.0
O F:HOH682 3.6 53.3 1.0
O H:HOH686 3.6 42.4 1.0
O F:GLY167 3.7 33.6 1.0
O F:HOH664 3.8 37.1 1.0
O1 F:FMT505 4.1 62.4 1.0
C F:LEU142 4.1 33.3 1.0
C F:GLY167 4.4 27.7 1.0
O F:CYS137 4.5 35.1 1.0
CA F:ASP143 4.6 29.9 1.0
CA F:ALA138 4.6 26.0 1.0
CA F:GLY167 4.7 25.0 1.0
C F:CYS137 4.7 28.4 1.0
N F:ALA138 4.7 27.5 1.0
N F:ASP143 4.7 30.0 1.0
O H:HOH641 4.8 62.0 1.0
O F:LEU166 4.8 28.5 1.0
N F:CYS144 4.8 25.8 1.0
OD1 F:ASP143 4.8 51.6 1.0
N F:LEU142 4.9 26.6 1.0
O2 F:FMT505 4.9 72.6 1.0
C F:FMT505 5.0 66.2 1.0

Caesium binding site 7 out of 9 in 6dwe

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Caesium binding site 7 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD0059-Bound Form


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 7 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD0059-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cs504

b:0.5
occ:0.43
 O H:GLY67 3.1 43.8 1.0
O F:GLY67 3.2 40.1 1.0
O F:HOH715 3.2 51.0 1.0
O H:HOH738 3.2 42.8 1.0
O H:PRO69 3.4 34.6 1.0
O F:PRO69 3.4 37.4 1.0
O F:HOH649 3.6 39.3 1.0
O H:HOH660 3.8 31.6 1.0
C H:GLY67 4.1 32.5 1.0
C F:GLY67 4.2 34.5 1.0
OE1 B:GLN52 4.3 57.6 0.4
OE1 B:GLN52 4.3 59.1 0.6
C H:PRO69 4.5 31.0 1.0
C F:PRO69 4.5 30.0 1.0
O F:HOH631 4.6 21.3 0.8
O H:HOH616 4.6 38.5 1.0
C H:ARG68 4.7 28.4 1.0
C F:ARG68 4.7 29.6 1.0
CA F:GLY67 4.8 29.5 1.0
N F:PRO69 4.8 29.1 1.0
N H:PRO69 4.8 27.3 1.0
O H:ARG68 4.8 30.2 1.0
O F:ARG68 4.8 37.9 1.0
CA H:GLY67 4.8 29.5 1.0
O F:HOH654 4.8 23.9 0.7
NE2 B:GLN52 4.9 52.3 0.4
NE2 B:GLN52 5.0 31.5 0.6

Caesium binding site 8 out of 9 in 6dwe

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Caesium binding site 8 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD0059-Bound Form


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 8 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD0059-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cs502

b:71.1
occ:0.56
 OG1 D:THR284 3.0 39.9 1.0
O D:TYR320 3.1 47.8 1.0
O D:HOH607 3.1 31.3 1.0
O D:GLY246 3.2 36.1 1.0
O D:HOH665 3.2 36.1 1.0
O D:ALA282 3.3 25.8 1.0
O D:GLY322 3.3 30.6 1.0
O D:VAL245 3.7 37.9 1.0
CB D:THR284 3.9 33.2 1.0
C D:GLY246 3.9 35.4 1.0
CA D:GLY246 4.1 29.2 1.0
C D:TYR320 4.2 36.1 1.0
O D:LEU318 4.3 27.2 1.0
N D:THR284 4.4 25.4 1.0
C D:GLY322 4.4 35.1 1.0
C D:ALA282 4.5 28.4 1.0
C D:VAL245 4.6 33.9 1.0
CB D:ALA282 4.7 24.1 1.0
OE1 D:GLU270 4.7 41.9 1.0
CB D:GLU270 4.8 27.4 1.0
CA D:THR284 4.8 27.0 1.0
N D:GLY246 4.8 31.9 1.0
CB D:TYR320 4.8 30.5 1.0
N D:GLY322 4.9 29.5 1.0
CA D:TYR320 5.0 31.9 1.0
CG2 D:THR284 5.0 28.6 1.0
CB D:VAL323 5.0 27.0 1.0

Caesium binding site 9 out of 9 in 6dwe

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Caesium binding site 9 out of 9 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD0059-Bound Form


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 9 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and BRD0059-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cs503

b:0.5
occ:0.72
 O D:HOH609 3.0 40.3 1.0
O D:HOH621 3.3 45.1 1.0
O D:GLY167 3.5 42.2 1.0
O D:HOH649 3.8 54.0 1.0
C D:GLY167 4.3 31.3 1.0
O D:LEU142 4.4 31.1 1.0
CA D:GLY167 4.4 28.3 1.0
OD1 D:ASP143 4.6 52.8 1.0
O D:HOH654 5.0 30.4 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 - Closed Form with BRD6309 Bound To Be Published.
Page generated: Tue Jul 30 20:52:11 2024

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