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Potassium in PDB 6u6c: Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK2-Bound Form

Enzymatic activity of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK2-Bound Form

All present enzymatic activity of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK2-Bound Form:
4.2.1.20;

Protein crystallography data

The structure of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK2-Bound Form, PDB code: 6u6c was solved by C.Chang, K.Michalska, N.I.Maltseva, R.Jedrzejczak, P.Mccarren, P.P.Nag, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.88 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 135.106, 159.226, 164.973, 90.00, 90.00, 90.00
R / Rfree (%) 15.3 / 19.5

Other elements in 6u6c:

The structure of Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK2-Bound Form also contains other interesting chemical elements:

Fluorine (F) 4 atoms
Sodium (Na) 1 atom

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK2-Bound Form (pdb code 6u6c). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 8 binding sites of Potassium where determined in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK2-Bound Form, PDB code: 6u6c:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Potassium binding site 1 out of 8 in 6u6c

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Potassium binding site 1 out of 8 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK2-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 GSK2-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K525

b:75.7
occ:1.00
 O B:TYR320 2.9 22.3 1.0
O B:HOH732 2.9 25.2 1.0
OG1 B:THR284 2.9 29.6 1.0
O B:HOH651 3.0 27.6 1.0
O B:GLY322 3.1 26.5 1.0
O B:ALA282 3.3 27.5 1.0
O B:GLY246 3.4 30.2 1.0
O B:VAL245 3.9 27.8 1.0
CB B:THR284 3.9 26.6 1.0
C B:TYR320 4.0 23.5 1.0
C B:GLY246 4.0 30.9 1.0
O B:LEU318 4.1 24.8 1.0
CA B:GLY246 4.1 13.3 1.0
C B:GLY322 4.3 20.4 1.0
C B:ALA282 4.5 21.3 1.0
CB B:TYR320 4.5 18.2 1.0
N B:THR284 4.5 26.6 1.0
CB B:ALA282 4.7 22.9 1.0
CD2 B:TYR320 4.7 22.1 1.0
CA B:TYR320 4.7 21.4 1.0
C B:VAL245 4.7 27.7 1.0
N B:GLY322 4.7 23.0 1.0
N B:TYR320 4.8 27.2 1.0
CA B:THR284 4.9 24.9 1.0
N B:GLY246 4.9 24.7 1.0
CB B:VAL323 4.9 21.2 1.0
CB B:GLU270 4.9 19.7 1.0
C B:PRO321 5.0 17.9 1.0
CG2 B:THR284 5.0 25.2 1.0
OE1 B:GLU270 5.0 34.7 1.0
N B:PRO321 5.0 25.3 1.0

Potassium binding site 2 out of 8 in 6u6c

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Potassium binding site 2 out of 8 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK2-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 GSK2-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K308

b:0.4
occ:1.00
 O1 C:EDO303 2.8 42.9 1.0
O C:HOH498 2.8 57.3 1.0
OD1 C:ASP68 2.8 47.6 1.0
O1 C:EDO306 2.9 52.8 1.0
CE C:MET106 3.3 42.4 1.0
OD2 C:ASP68 3.5 35.6 1.0
CG C:ASP68 3.5 37.3 1.0
SD C:MET106 3.9 38.4 1.0
C1 C:EDO303 3.9 41.1 1.0
O2 C:EDO303 3.9 39.5 1.0
C2 C:EDO303 4.1 47.1 1.0
CG C:MET106 4.3 30.8 1.0
C1 C:EDO306 4.3 43.1 1.0
OH C:TYR30 4.5 28.2 1.0
CE2 C:TYR30 4.6 22.1 1.0
CZ C:TYR30 4.6 25.3 1.0
OH C:TYR108 4.6 31.9 1.0
O C:HOH504 4.8 35.1 1.0
O C:HOH466 4.8 37.2 1.0
CB C:ASP68 4.9 31.9 1.0
C2 C:EDO306 5.0 37.8 1.0

Potassium binding site 3 out of 8 in 6u6c

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Potassium binding site 3 out of 8 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK2-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 GSK2-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K518

b:0.3
occ:1.00
 O D:LEU142 2.7 32.9 1.0
O D:HOH650 2.8 16.9 1.0
O D:HOH657 2.8 33.2 1.0
C1 B:EDO529 3.0 62.4 1.0
CB D:CYS137 3.7 17.8 1.0
O D:GLY167 3.8 29.5 1.0
CB D:CYS144 3.8 15.9 1.0
C2 B:EDO529 3.8 64.0 1.0
C D:CYS137 3.9 16.5 1.0
C D:LEU142 3.9 27.4 1.0
O D:CYS137 3.9 22.3 1.0
O2 B:EDO529 4.0 53.0 1.0
N D:ALA138 4.0 14.5 1.0
O1 B:EDO529 4.0 61.5 1.0
N D:CYS144 4.0 25.2 1.0
O2 D:FMT521 4.3 64.5 1.0
C D:GLY167 4.3 22.4 1.0
CA D:ALA138 4.4 14.8 1.0
C D:ASP143 4.4 23.2 1.0
CA D:ASP143 4.4 23.5 1.0
CA D:CYS137 4.4 17.2 1.0
CA D:CYS144 4.5 19.0 1.0
O D:LEU166 4.6 18.7 1.0
N D:ASP143 4.6 27.7 1.0
N D:ALA168 4.8 17.5 1.0
CA D:ALA168 4.8 17.8 1.0
N D:LEU142 4.8 28.4 1.0
O D:ALA134 4.9 22.5 1.0
CA D:LEU142 5.0 23.0 1.0

Potassium binding site 4 out of 8 in 6u6c

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Potassium binding site 4 out of 8 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK2-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 GSK2-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K519

b:76.0
occ:1.00
 OG D:SER296 2.8 20.0 1.0
O D:HOH664 2.8 16.9 1.0
O D:PHE293 2.8 16.2 1.0
O D:SER296 2.9 22.0 1.0
O D:HOH665 3.4 22.6 1.0
CB D:SER298 3.5 10.9 1.0
C D:SER296 3.5 23.0 1.0
N D:SER298 3.7 17.8 1.0
O D:HOH679 3.7 15.8 1.0
N D:PHE293 3.7 19.6 1.0
C D:PHE293 3.8 19.9 1.0
CB D:PHE293 3.8 21.2 1.0
CA D:PHE293 4.0 18.1 1.0
CB D:SER296 4.0 19.4 1.0
CA D:SER298 4.1 15.2 1.0
O D:GLY291 4.1 21.4 1.0
CA D:SER296 4.2 19.9 1.0
C D:PHE297 4.2 19.0 1.0
N D:PHE297 4.3 21.3 1.0
N D:SER296 4.3 15.5 1.0
O D:VAL323 4.3 25.3 1.0
CA D:PHE297 4.4 16.5 1.0
C D:SER298 4.5 17.9 1.0
OG D:SER298 4.5 25.3 1.0
O D:TYR299 4.6 23.5 1.0
CD2 D:PHE293 4.6 24.5 1.0
C D:ALA292 4.7 23.2 1.0
CG D:PHE293 4.7 28.8 1.0
O D:SER298 4.8 24.9 1.0
N D:TYR299 5.0 17.7 1.0
CA D:ALA292 5.0 20.6 1.0

Potassium binding site 5 out of 8 in 6u6c

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Potassium binding site 5 out of 8 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK2-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 GSK2-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K522

b:87.5
occ:1.00
 O D:HOH639 2.7 29.8 1.0
O F:HOH971 2.8 24.5 1.0
O F:HOH991 2.8 35.9 1.0
O F:HOH968 2.8 24.7 1.0
O D:HOH717 2.8 32.1 1.0
O D:HOH666 2.9 22.1 1.0
O F:GLN233 3.8 31.6 1.0
O D:GLN233 3.8 26.8 1.0
OE1 D:GLU74 3.9 24.7 1.0
OE1 F:GLU74 3.9 25.6 1.0
NH2 D:ARG86 4.1 17.8 1.0
NH2 F:ARG86 4.2 14.1 1.0
O1 B:FMT522 4.4 64.6 1.0
C F:GLN233 4.7 28.8 1.0
C D:GLN233 4.8 22.7 1.0

Potassium binding site 6 out of 8 in 6u6c

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Potassium binding site 6 out of 8 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK2-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 GSK2-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
F:K826

b:84.6
occ:1.00
 O F:TYR320 2.7 29.1 1.0
OG1 F:THR284 2.8 25.8 1.0
O F:HOH978 2.9 35.0 1.0
O F:GLY322 3.0 23.5 1.0
O F:HOH951 3.2 32.2 1.0
O F:ALA282 3.2 18.8 1.0
O F:GLY246 3.3 23.9 1.0
C F:TYR320 3.9 26.1 1.0
CB F:THR284 3.9 24.2 1.0
C F:GLY246 4.0 25.3 1.0
C F:GLY322 4.1 23.9 1.0
O F:LEU318 4.2 23.5 1.0
O F:VAL245 4.2 24.7 1.0
CA F:GLY246 4.3 25.3 1.0
C F:ALA282 4.4 22.5 1.0
N F:THR284 4.4 25.0 1.0
N F:GLY322 4.4 26.1 1.0
CB F:TYR320 4.5 19.4 1.0
CA F:TYR320 4.6 22.0 1.0
C F:PRO321 4.7 26.1 1.0
CB F:ALA282 4.7 14.3 1.0
CD2 F:TYR320 4.7 21.4 1.0
N F:TYR320 4.7 16.6 1.0
N F:PRO321 4.8 21.3 1.0
CA F:THR284 4.8 25.3 1.0
CB F:VAL323 4.9 22.9 1.0
CG2 F:THR284 4.9 19.6 1.0
CA F:PRO321 4.9 22.3 1.0
CA F:GLY322 4.9 20.8 1.0

Potassium binding site 7 out of 8 in 6u6c

Go back to Potassium Binding Sites List in 6u6c
Potassium binding site 7 out of 8 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK2-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 GSK2-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
G:K313

b:88.0
occ:1.00
 O G:ALA126 2.8 24.5 1.0
OE2 G:GLU94 2.8 79.3 1.0
CD G:GLU94 3.2 71.6 1.0
CG G:GLU94 3.5 54.4 1.0
O G:HOH496 3.6 41.6 1.0
C G:ALA126 3.8 22.2 1.0
CA G:ALA127 3.8 18.8 1.0
OE1 G:GLU94 4.0 75.2 1.0
N G:ALA127 4.2 18.3 1.0
C G:ALA127 4.3 22.5 1.0
O G:ALA127 4.4 30.7 1.0
CB G:GLU94 4.6 34.8 1.0
O G:HOH500 4.7 48.9 1.0
CA G:ALA126 5.0 27.8 1.0
CB G:ALA127 5.0 23.9 1.0
N G:GLY128 5.0 24.3 1.0

Potassium binding site 8 out of 8 in 6u6c

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Potassium binding site 8 out of 8 in the Crystal Structure of Tryptophan Synthase From M. Tuberculosis - Aminoacrylate- and GSK2-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 GSK2-Bound Form within 5.0Å range:
probe atom residue distance (Å) B Occ
H:K531

b:73.3
occ:1.00
 OG1 H:THR284 2.7 23.7 1.0
O H:TYR320 2.8 29.1 1.0
O H:HOH752 2.8 38.2 1.0
O H:GLY322 2.8 28.9 1.0
O H:HOH740 3.2 33.1 1.0
O H:GLY246 3.3 21.1 1.0
O H:ALA282 3.5 21.6 1.0
CB H:THR284 3.7 22.2 1.0
C H:TYR320 3.9 20.8 1.0
C H:GLY322 4.0 28.0 1.0
C H:GLY246 4.1 22.2 1.0
O H:VAL245 4.2 25.5 1.0
O H:LEU318 4.3 18.5 1.0
N H:GLY322 4.3 18.4 1.0
CA H:GLY246 4.4 11.2 1.0
CB H:TYR320 4.4 13.7 1.0
CD2 H:TYR320 4.5 18.4 1.0
N H:THR284 4.5 18.1 1.0
CA H:TYR320 4.6 17.5 1.0
C H:ALA282 4.6 18.1 1.0
C H:PRO321 4.7 17.6 1.0
CG2 H:THR284 4.7 22.8 1.0
CA H:THR284 4.8 18.0 1.0
N H:PRO321 4.8 25.1 1.0
CA H:GLY322 4.8 12.6 1.0
CB H:ALA282 4.8 18.7 1.0
CB H:VAL323 4.8 18.3 1.0
N H:TYR320 4.8 18.6 1.0
CA H:PRO321 4.9 23.8 1.0
CG H:TYR320 4.9 21.6 1.0
N H:VAL323 5.0 21.1 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 17:44:21 2024

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