Atomistry » Caesium » PDB 4hul-6dwe » 6art
Atomistry »
  Caesium »
    PDB 4hul-6dwe »
      6art »

Caesium in PDB 6art: Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions

Enzymatic activity of Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions

All present enzymatic activity of Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions:
2.3.1.9;

Protein crystallography data

The structure of Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions, PDB code: 6art was solved by A.C.Marshall, C.S.Bond, J.B.Bruning, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 56.91 / 2.25
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 71.370, 105.290, 110.430, 90.00, 108.60, 90.00
R / Rfree (%) 15.2 / 19.3

Other elements in 6art:

The structure of Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Caesium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Caesium atom in the Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions (pdb code 6art). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 15 binding sites of Caesium where determined in the Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions, PDB code: 6art:
Jump to Caesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Caesium binding site 1 out of 15 in 6art

Go back to Caesium Binding Sites List in 6art
Caesium binding site 1 out of 15 in the Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs402

b:58.6
occ:1.00
O A:SER252 2.9 54.7 1.0
O A:VAL350 3.0 57.7 1.0
OH A:TYR187 3.1 54.5 1.0
O A:ALA249 3.1 54.5 1.0
O A:PRO250 3.2 64.2 1.0
C A:PRO250 3.7 64.4 1.0
CA A:PRO250 3.8 63.9 1.0
OE2 A:GLU224 3.9 52.5 1.0
CG A:PRO254 3.9 48.7 1.0
C A:SER252 4.1 54.0 1.0
CZ A:TYR187 4.1 56.5 1.0
C A:ALA249 4.2 55.8 1.0
C A:VAL350 4.2 58.1 1.0
CE2 A:TYR187 4.3 57.8 1.0
CD A:PRO254 4.3 48.4 1.0
CG1 A:VAL350 4.4 62.2 1.0
CD A:GLU224 4.4 50.8 1.0
N A:PRO250 4.5 62.9 1.0
N A:PRO254 4.6 47.7 1.0
N A:SER252 4.6 58.2 1.0
N A:ASN251 4.7 62.4 1.0
C A:SER253 4.7 46.4 1.0
CB A:PRO254 4.7 46.9 1.0
CG A:GLU224 4.7 49.6 1.0
CA A:VAL350 4.8 57.8 1.0
CA A:SER253 4.8 48.0 1.0
N A:SER253 5.0 49.7 1.0

Caesium binding site 2 out of 15 in 6art

Go back to Caesium Binding Sites List in 6art
Caesium binding site 2 out of 15 in the Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs403

b:89.1
occ:0.92
O A:VAL44 3.0 60.0 1.0
O A:LEU47 3.2 57.0 1.0
O A:LEU41 3.3 52.1 1.0
C A:VAL44 3.8 60.6 1.0
O A:ALA42 4.1 55.4 1.0
CA A:ALA42 4.3 51.7 1.0
C A:ALA42 4.3 53.2 1.0
CA A:ASP45 4.3 73.9 1.0
N A:ASP45 4.4 71.8 1.0
C A:LEU41 4.4 51.1 1.0
C A:LEU47 4.4 57.2 1.0
N A:VAL44 4.6 57.7 1.0
CA A:VAL44 4.8 58.7 1.0
CD A:PRO49 4.9 57.6 1.0
N A:ALA42 4.9 49.7 1.0
N A:LEU47 4.9 60.4 1.0

Caesium binding site 3 out of 15 in 6art

Go back to Caesium Binding Sites List in 6art
Caesium binding site 3 out of 15 in the Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs404

b:74.2
occ:0.95
O A:ASP200 3.1 62.6 1.0
O A:ILE203 3.2 54.1 1.0
O A:GLU201 3.3 71.0 1.0
O A:HOH586 3.7 30.0 1.0
C A:GLU201 4.0 71.2 1.0
CA A:GLU201 4.2 73.7 1.0
C A:ASP200 4.3 63.2 1.0
C A:ILE203 4.3 52.2 1.0
OE2 A:GLU201 4.6 77.7 1.0
N A:GLU201 4.8 73.5 1.0
CE A:LYS43 4.8 50.9 1.0
CA A:ALA204 4.9 51.2 1.0
NZ A:LYS43 4.9 49.8 1.0
N A:ALA204 5.0 50.4 1.0
CD A:PRO205 5.0 56.6 1.0

Caesium binding site 4 out of 15 in 6art

Go back to Caesium Binding Sites List in 6art
Caesium binding site 4 out of 15 in the Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs402

b:46.1
occ:0.98
O B:SER252 2.8 43.4 1.0
O B:PRO250 3.1 47.1 1.0
OH B:TYR187 3.1 40.9 1.0
O B:VAL350 3.1 39.5 1.0
O B:ALA249 3.4 40.7 1.0
C B:PRO250 3.7 47.9 1.0
O B:HOH609 3.7 30.0 1.0
CA B:PRO250 3.9 48.2 1.0
OE1 B:GLU224 3.9 42.1 1.0
CG B:PRO254 3.9 37.5 1.0
C B:SER252 4.1 42.9 1.0
CZ B:TYR187 4.2 42.5 1.0
O B:HOH542 4.2 30.0 1.0
C B:VAL350 4.2 39.6 1.0
CD B:PRO254 4.2 37.0 1.0
CG1 B:VAL350 4.2 42.6 1.0
CE2 B:TYR187 4.3 43.7 1.0
C B:ALA249 4.4 42.2 1.0
N B:PRO254 4.5 36.8 1.0
CD B:GLU224 4.5 39.9 1.0
N B:PRO250 4.6 48.0 1.0
C B:SER253 4.6 37.8 1.0
CA B:VAL350 4.7 39.3 1.0
N B:SER252 4.7 46.7 1.0
CA B:SER253 4.8 38.5 1.0
N B:ASN251 4.8 47.9 1.0
CG B:GLU224 4.8 39.2 1.0
CB B:PRO254 4.8 36.5 1.0
N B:SER253 4.9 40.0 1.0

Caesium binding site 5 out of 15 in 6art

Go back to Caesium Binding Sites List in 6art
Caesium binding site 5 out of 15 in the Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs403

b:62.8
occ:0.88
O B:ILE203 3.1 44.1 1.0
O B:ASP200 3.1 49.0 1.0
O B:GLU201 3.1 55.5 1.0
O B:HOH618 3.3 30.0 1.0
C B:GLU201 3.9 55.7 1.0
CA B:GLU201 4.1 58.0 1.0
C B:ASP200 4.2 49.5 1.0
C B:ILE203 4.2 42.2 1.0
OE2 B:GLU201 4.6 62.6 1.0
N B:GLU201 4.7 57.3 1.0
CE B:LYS43 4.8 44.2 1.0
CD B:PRO205 4.8 44.8 1.0
N B:ILE203 4.8 42.9 1.0
NZ B:LYS43 4.9 43.3 1.0
CA B:ALA204 4.9 42.5 1.0
N B:ALA204 5.0 41.5 1.0

Caesium binding site 6 out of 15 in 6art

Go back to Caesium Binding Sites List in 6art
Caesium binding site 6 out of 15 in the Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 6 of Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs404

b:92.5
occ:0.83
O B:VAL44 3.0 50.1 1.0
O B:LEU47 3.2 52.8 1.0
O B:LEU41 3.3 44.3 1.0
O B:HOH605 3.3 30.0 1.0
O B:HOH604 3.7 30.0 1.0
O B:ALA42 4.0 52.2 1.0
C B:VAL44 4.1 50.0 1.0
CA B:ALA42 4.2 50.6 1.0
C B:ALA42 4.2 50.7 1.0
C B:LEU41 4.3 43.6 1.0
C B:LEU47 4.4 52.9 1.0
N B:VAL44 4.6 46.6 1.0
N B:ALA42 4.7 49.0 1.0
N B:LEU47 4.8 55.1 1.0
CA B:VAL44 4.8 47.8 1.0
N B:ASP45 5.0 64.5 1.0

Caesium binding site 7 out of 15 in 6art

Go back to Caesium Binding Sites List in 6art
Caesium binding site 7 out of 15 in the Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 7 of Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cs403

b:17.6
occ:0.93
O C:SER252 2.9 20.0 1.0
OH C:TYR187 3.0 18.3 1.0
O C:PRO250 3.1 20.2 1.0
O C:VAL350 3.2 15.9 1.0
O C:ALA249 3.3 23.6 1.0
O C:HOH823 3.5 36.1 1.0
C C:PRO250 3.7 21.3 1.0
O C:HOH809 3.8 24.7 1.0
CA C:PRO250 3.8 22.4 1.0
OE1 C:GLU224 3.9 18.5 1.0
CZ C:TYR187 4.0 18.2 1.0
C C:SER252 4.1 20.3 1.0
CG C:PRO254 4.1 16.6 1.0
O C:HOH595 4.2 21.6 1.0
CG1 C:VAL350 4.2 16.9 1.0
C C:VAL350 4.2 15.4 1.0
CD C:PRO254 4.3 16.0 1.0
C C:ALA249 4.3 24.9 1.0
CE2 C:TYR187 4.3 18.5 1.0
O C:HOH519 4.3 30.0 1.0
N C:PRO254 4.5 17.3 1.0
CD C:GLU224 4.5 17.8 1.0
O C:HOH608 4.5 23.2 1.0
N C:PRO250 4.6 23.6 1.0
N C:SER252 4.7 21.9 1.0
C C:SER253 4.7 17.2 1.0
CA C:VAL350 4.7 15.1 1.0
N C:ASN251 4.7 21.9 1.0
CA C:SER253 4.8 16.8 0.6
CA C:SER253 4.8 16.7 0.4
CB C:PRO254 4.8 18.1 1.0
CG C:GLU224 4.8 16.2 1.0
N C:SER253 4.9 17.8 1.0

Caesium binding site 8 out of 15 in 6art

Go back to Caesium Binding Sites List in 6art
Caesium binding site 8 out of 15 in the Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 8 of Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cs404

b:28.6
occ:0.81
O C:ASP200 3.0 16.4 1.0
O C:ILE203 3.0 14.8 1.0
O C:HOH855 3.1 23.6 1.0
O C:GLU201 3.4 20.8 1.0
O C:HOH867 3.6 52.5 1.0
O C:HOH915 3.9 30.0 1.0
C C:GLU201 3.9 20.7 1.0
O C:HOH832 4.0 65.0 1.0
O C:HOH677 4.0 18.2 1.0
CA C:GLU201 4.1 21.9 1.0
O C:HOH858 4.1 35.0 1.0
C C:ASP200 4.1 16.8 1.0
C C:ILE203 4.2 14.1 1.0
O C:HOH911 4.3 55.5 1.0
O C:HOH863 4.3 64.0 1.0
O C:HOH749 4.4 17.3 1.0
N C:GLU201 4.6 21.9 1.0
CD C:PRO205 4.7 16.3 1.0
CA C:ALA204 4.8 14.7 1.0
N C:ILE203 4.9 13.6 1.0
N C:ALA204 4.9 14.0 1.0

Caesium binding site 9 out of 15 in 6art

Go back to Caesium Binding Sites List in 6art
Caesium binding site 9 out of 15 in the Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 9 of Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cs405

b:26.8
occ:0.64
O C:HOH520 2.9 30.0 1.0
O C:VAL44 3.0 19.7 1.0
O C:LEU47 3.0 17.1 1.0
O C:HOH720 3.3 35.0 1.0
O C:LEU41 3.4 13.6 1.0
O C:HOH831 3.5 24.7 1.0
O C:HOH794 3.6 56.0 1.0
O C:HOH844 3.6 51.2 1.0
O C:ALA42 3.9 15.1 1.0
C C:VAL44 4.0 19.7 1.0
CA C:ALA42 4.1 13.8 1.0
O C:HOH807 4.1 30.0 1.0
C C:ALA42 4.2 14.5 1.0
C C:LEU47 4.3 17.6 1.0
C C:LEU41 4.4 12.9 1.0
N C:VAL44 4.4 18.3 1.0
O C:HOH907 4.7 38.1 1.0
N C:LEU47 4.7 18.7 1.0
CA C:VAL44 4.7 19.1 1.0
N C:ALA42 4.8 13.5 1.0
N C:ASP45 4.9 19.9 1.0
N C:LYS43 5.0 16.3 1.0

Caesium binding site 10 out of 15 in 6art

Go back to Caesium Binding Sites List in 6art
Caesium binding site 10 out of 15 in the Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 10 of Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Cesium Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cs406

b:42.7
occ:0.53
OD1 C:ASP317 3.1 23.7 1.0
O C:ASP314 3.2 29.1 1.0
O C:ILE316 3.4 20.6 1.0
O C:ALA315 3.6 22.9 1.0
C C:ALA315 3.8 22.9 1.0
NZ C:LYS342 3.8 27.2 1.0
C C:ILE316 4.0 19.7 1.0
CA C:ALA315 4.1 24.3 1.0
CG C:ASP317 4.2 22.6 1.0
C C:ASP314 4.3 28.8 1.0
O C:HOH509 4.3 51.7 1.0
N C:ILE316 4.4 20.5 1.0
CA C:ASP317 4.5 21.0 1.0
N C:ASP317 4.5 20.6 1.0
CE C:LYS342 4.5 26.6 1.0
O C:HOH566 4.6 30.0 1.0
N C:ALA315 4.7 24.4 1.0
CA C:ILE316 4.8 19.3 1.0
CB C:ASP317 4.9 21.3 1.0
O C:HOH745 5.0 37.7 1.0
OD2 C:ASP317 5.0 22.5 1.0

Reference:

A.C.Marshall, C.S.Bond, J.B.Bruning. Structure of Aspergillus Fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation By Monovalent Cations Acs Catalysis V.8(3) 1973 2018.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.7B02873
Page generated: Sun Jul 13 22:54:12 2025

Last articles

Fe in 6MX5
Fe in 6MV0
Fe in 6MEV
Fe in 6MQ6
Fe in 6MQ1
Fe in 6MQ0
Fe in 6MPY
Fe in 6M9S
Fe in 6MP9
Fe in 6MP8
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy