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Potassium in PDB 6usa: Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form

Enzymatic activity of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form

All present enzymatic activity of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form:
4.2.1.20;

Protein crystallography data

The structure of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form, PDB code: 6usa was solved by C.Chang, K.Michalska, N.I.Maltseva, R.Jedrzejczak, P.Mccarren, P.P.Nag, A.Joachimiak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.89 / 2.41
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 134.920, 160.037, 165.151, 90.00, 90.00, 90.00
R / Rfree (%) 15.8 / 19.2

Other elements in 6usa:

The structure of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms
Sodium (Na) 2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form (pdb code 6usa). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 10 binding sites of Potassium where determined in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form, PDB code: 6usa:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Potassium binding site 1 out of 10 in 6usa

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Potassium binding site 1 out of 10 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K508

b:84.9
occ:1.00
 O B:HOH699 2.8 39.7 1.0
O B:TYR320 2.9 32.5 1.0
OG1 B:THR284 3.1 38.7 1.0
O B:HOH715 3.1 31.0 1.0
O B:GLY322 3.1 33.3 1.0
O B:GLY246 3.3 33.0 1.0
O B:ALA282 3.3 31.1 1.0
O B:VAL245 3.9 30.3 1.0
C B:GLY246 4.0 31.0 1.0
CB B:THR284 4.0 32.1 1.0
C B:TYR320 4.0 30.6 1.0
CA B:GLY246 4.1 23.1 1.0
O B:LEU318 4.1 31.0 1.0
C B:GLY322 4.3 27.4 1.0
CB B:TYR320 4.5 27.0 1.0
C B:ALA282 4.5 31.1 1.0
N B:THR284 4.6 26.8 1.0
CB B:ALA282 4.6 22.2 1.0
CA B:TYR320 4.7 28.5 1.0
N B:GLY322 4.7 28.8 1.0
CD2 B:TYR320 4.7 29.8 1.0
C B:VAL245 4.7 28.1 1.0
N B:TYR320 4.8 28.3 1.0
N B:GLY246 4.9 24.5 1.0
CA B:THR284 4.9 29.1 1.0
C B:PRO321 5.0 29.3 1.0
CB B:GLU270 5.0 27.0 1.0

Potassium binding site 2 out of 10 in 6usa

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Potassium binding site 2 out of 10 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K510

b:0.8
occ:1.00
 O F:HOH623 2.8 30.8 1.0
O F:HOH744 2.8 36.7 1.0
O D:HOH654 2.8 38.4 1.0
O F:HOH628 2.9 32.9 1.0
O D:HOH778 3.0 33.4 1.0
O D:HOH674 3.0 26.7 1.0
O F:GLN233 3.5 33.6 1.0
OE1 F:GLU74 4.0 33.5 1.0
O D:GLN233 4.1 36.4 1.0
OE1 D:GLU74 4.1 25.0 1.0
NH2 F:ARG86 4.3 23.1 1.0
NH2 D:ARG86 4.4 18.7 1.0
C F:GLN233 4.5 28.8 1.0
C D:GLN233 5.0 34.6 1.0

Potassium binding site 3 out of 10 in 6usa

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Potassium binding site 3 out of 10 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K511

b:86.3
occ:1.00
 O D:HOH733 3.0 40.6 1.0
O D:HOH633 3.0 40.1 1.0
O D:TYR320 3.1 35.3 1.0
O D:GLY246 3.1 28.7 1.0
OG1 D:THR284 3.1 33.2 1.0
O D:GLY322 3.1 22.4 1.0
O D:ALA282 3.4 23.9 1.0
O D:VAL245 3.8 32.8 1.0
C D:GLY246 3.8 29.2 1.0
CA D:GLY246 3.9 26.2 1.0
CB D:THR284 4.0 31.1 1.0
C D:TYR320 4.2 26.9 1.0
O D:LEU318 4.3 25.6 1.0
C D:GLY322 4.3 24.9 1.0
C D:VAL245 4.6 29.9 1.0
N D:THR284 4.6 24.1 1.0
C D:ALA282 4.6 25.8 1.0
N D:GLY246 4.8 30.6 1.0
CB D:ALA282 4.8 26.4 1.0
CB D:TYR320 4.8 22.5 1.0
N D:GLY322 4.9 25.6 1.0
CB D:VAL323 4.9 22.3 1.0
CA D:TYR320 4.9 24.7 1.0
CD2 D:TYR320 4.9 21.1 1.0
N D:GLY247 4.9 27.5 1.0
CA D:THR284 4.9 27.8 1.0
CB D:GLU270 5.0 23.2 1.0

Potassium binding site 4 out of 10 in 6usa

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Potassium binding site 4 out of 10 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K512

b:1.0
occ:1.00
 OE1 D:GLN231 2.7 26.0 0.4
O D:HOH808 3.1 28.2 1.0
O D:HOH755 3.1 41.3 1.0
O H:HOH822 3.3 24.3 1.0
O H:HOH802 3.3 47.5 1.0
O D:GLN231 3.7 28.5 0.6
O D:GLN231 3.9 28.1 0.4
CD D:GLN231 3.9 26.9 0.4
NH2 H:ARG113 4.3 74.7 1.0
C D:GLN231 4.3 27.1 0.6
CB D:GLN231 4.4 25.3 0.4
C D:GLN231 4.4 27.0 0.4
CB D:GLN231 4.4 25.2 0.6
O H:HOH784 4.5 49.6 1.0
O F:HOH795 4.5 41.3 1.0
O D:GLY235 4.5 30.4 1.0
CG D:GLN231 4.7 26.4 0.4
C D:GLY235 4.7 28.1 1.0
CA D:GLN231 4.8 25.3 0.4
NE2 D:GLN231 4.8 29.4 0.4
CA D:GLN231 4.8 25.2 0.6
CA D:GLY235 4.8 24.7 1.0
O H:HOH620 4.9 27.9 1.0

Potassium binding site 5 out of 10 in 6usa

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Potassium binding site 5 out of 10 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
F:K510

b:79.5
occ:1.00
 O F:HOH712 2.8 42.0 1.0
O F:TYR320 2.9 36.1 1.0
OG1 F:THR284 2.9 30.4 1.0
O F:HOH717 3.0 37.8 1.0
O F:GLY322 3.1 27.5 1.0
O F:GLY246 3.2 34.9 1.0
O F:ALA282 3.3 28.3 1.0
CB F:THR284 3.8 27.9 1.0
C F:GLY246 3.9 31.6 1.0
O F:VAL245 4.0 29.5 1.0
C F:TYR320 4.0 35.4 1.0
CA F:GLY246 4.1 29.8 1.0
O F:LEU318 4.2 31.8 1.0
C F:GLY322 4.2 27.0 1.0
C F:ALA282 4.5 27.9 1.0
N F:THR284 4.5 27.0 1.0
CB F:TYR320 4.6 30.0 1.0
CB F:ALA282 4.6 23.2 1.0
N F:GLY322 4.7 29.0 1.0
CA F:TYR320 4.7 31.1 1.0
CA F:THR284 4.8 25.9 1.0
C F:VAL245 4.8 31.8 1.0
N F:TYR320 4.8 27.1 1.0
CD2 F:TYR320 4.9 34.8 1.0
CG2 F:THR284 4.9 28.8 1.0
CB F:VAL323 4.9 27.1 1.0
C F:PRO321 4.9 32.4 1.0
N F:GLY246 4.9 29.6 1.0

Potassium binding site 6 out of 10 in 6usa

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Potassium binding site 6 out of 10 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
F:K511

b:78.7
occ:1.00
 O F:HOH757 2.8 49.2 1.0
O F:SER311 2.8 35.9 1.0
OD2 F:ASP319 3.1 33.8 1.0
OG1 F:THR179 3.1 26.0 1.0
CG2 F:THR179 3.3 23.0 1.0
OD1 F:ASP319 3.3 36.0 1.0
CG F:ASP319 3.5 30.8 1.0
O F:HOH645 3.8 44.4 1.0
CB F:THR179 3.8 25.4 1.0
CD2 F:HIS312 3.8 30.0 0.6
C F:SER311 3.9 34.0 1.0
CB F:SER177 3.9 34.2 1.0
O F:SER177 4.1 34.5 1.0
O F:HOH745 4.2 27.5 1.0
NE2 F:HIS312 4.3 31.3 0.6
CA F:HIS312 4.5 32.4 0.6
CA F:HIS312 4.5 32.4 0.4
OG F:SER311 4.5 29.8 1.0
OG F:SER177 4.5 34.8 1.0
CG F:HIS312 4.5 32.0 0.6
N F:HIS312 4.6 31.8 0.6
N F:HIS312 4.6 32.0 0.4
O F:HOH646 4.7 26.5 1.0
N F:SER311 4.8 36.2 1.0
C F:SER177 4.8 30.2 1.0
CA F:SER311 4.9 36.4 1.0
CB F:ASP319 4.9 29.2 1.0
CA F:SER177 5.0 33.3 1.0

Potassium binding site 7 out of 10 in 6usa

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Potassium binding site 7 out of 10 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 7 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
F:K512

b:0.2
occ:1.00
 OD1 F:ASP59 2.8 67.0 1.0
O F:HOH755 2.8 56.7 1.0
O B:HOH818 2.8 46.9 1.0
O F:HOH772 3.0 64.2 1.0
OD2 F:ASP59 3.2 59.4 1.0
CG F:ASP59 3.4 57.0 1.0
O B:HOH708 4.1 34.3 1.0
O B:HOH621 4.5 45.2 1.0
O F:ASP59 4.7 27.6 1.0
CB F:ALA63 4.7 25.2 1.0
O F:HOH683 4.8 37.0 1.0
CB F:ASP59 4.8 42.7 1.0
O B:VAL50 4.9 36.1 1.0

Potassium binding site 8 out of 10 in 6usa

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Potassium binding site 8 out of 10 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 8 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
F:K513

b:0.6
occ:1.00
 OG1 F:THR175 2.8 43.2 1.0
OE2 F:GLU186 3.1 46.0 1.0
O F:HOH676 3.2 42.9 1.0
NH1 F:ARG189 3.3 51.8 1.0
CB F:ASN185 3.5 31.5 1.0
O F:HOH605 3.7 48.0 1.0
CB F:THR175 3.8 41.4 1.0
NE F:ARG189 4.0 44.8 1.0
O F:ASP182 4.0 32.8 1.0
CZ F:ARG189 4.1 48.8 1.0
ND2 F:ASN185 4.2 37.1 1.0
CD F:GLU186 4.3 50.5 1.0
CG2 F:THR175 4.3 43.1 1.0
N F:GLU186 4.4 30.0 1.0
CG F:ASN185 4.4 37.9 1.0
C F:ASN185 4.5 30.4 1.0
O F:HOH771 4.5 49.3 1.0
CA F:ASN185 4.7 29.1 1.0
O E:HOH429 4.7 40.4 1.0
CG1 F:VAL173 4.8 34.5 1.0
CA F:GLU186 4.9 33.9 1.0
CA F:ASP182 4.9 30.4 1.0
C F:ASP182 4.9 32.2 1.0
CB F:GLU186 4.9 39.9 1.0
CB F:ASP182 5.0 34.4 1.0

Potassium binding site 9 out of 10 in 6usa

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Potassium binding site 9 out of 10 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 9 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
G:K302

b:94.4
occ:1.00
 O G:HOH793 2.7 66.6 1.0
O G:HOH712 2.9 55.1 1.0
OD2 G:ASP68 3.1 50.1 1.0
OH G:TYR30 3.2 39.6 1.0
CG2 G:THR76 3.6 38.3 1.0
O G:VAL60 3.8 29.9 1.0
CE1 G:TYR108 4.0 19.9 1.0
CG G:ASP68 4.0 48.4 1.0
CG2 G:ILE72 4.1 39.3 1.0
CZ G:TYR30 4.4 36.6 1.0
CA G:PRO61 4.5 33.0 1.0
CB G:THR76 4.5 39.2 1.0
OD1 G:ASP68 4.5 52.3 1.0
CD1 G:TYR108 4.6 20.7 1.0
C G:VAL60 4.6 32.1 1.0
CB G:PRO65 4.6 30.8 1.0
N G:TYR62 4.7 32.9 1.0
OG1 G:THR76 4.8 42.7 1.0
N G:PRO61 4.9 34.3 1.0

Potassium binding site 10 out of 10 in 6usa

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Potassium binding site 10 out of 10 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 10 of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK1-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
H:K509

b:86.8
occ:1.00
 O H:HOH751 2.9 53.4 1.0
O H:HOH707 2.9 49.7 1.0
O H:HOH830 2.9 46.1 1.0
O H:PRO238 3.2 28.4 1.0
O H:GLY263 3.3 32.1 1.0
C H:GLY263 3.8 30.8 1.0
O H:LEU237 3.9 27.1 1.0
OD1 H:ASP239 4.0 39.9 1.0
C H:PRO238 4.0 26.9 1.0
CA H:ASP239 4.2 25.5 1.0
CA H:GLY263 4.3 28.9 1.0
NH2 H:ARG236 4.4 44.0 1.0
N H:ASP239 4.4 24.6 1.0
CG2 H:VAL264 4.4 25.8 1.0
N H:VAL264 4.5 29.2 1.0
C H:LEU237 4.5 27.1 1.0
CB H:LEU237 4.7 26.3 1.0
CA H:VAL264 4.8 28.0 1.0
CG H:ASP239 4.9 35.7 1.0

Reference:

K.Michalska, C.Chang, N.I.Maltseva, R.Jedrzejczak, G.T.Robertson, F.Gusovsky, P.Mccarren, S.L.Schreiber, P.P.Nag, A.Joachimiak. Allosteric Inhibitors of Mycobacterium Tuberculosis Tryptophan Synthase. Protein Sci. V. 29 779 2020.
ISSN: ESSN 1469-896X
PubMed: 31930594
DOI: 10.1002/PRO.3825
Page generated: Mon Aug 12 17:52:40 2024

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