Atomistry » Chlorine » PDB 6aji-6auk » 6arl
Atomistry »
  Chlorine »
    PDB 6aji-6auk »
      6arl »

Chlorine in PDB 6arl: Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Rubidium Ions

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

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

Protein crystallography data

The structure of Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Rubidium Ions, PDB code: 6arl 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) 52.72 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 71.250, 105.440, 110.280, 90.00, 108.78, 90.00
R / Rfree (%) 20.1 / 24.1

Other elements in 6arl:

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

Rubidium (Rb) 13 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Rubidium Ions (pdb code 6arl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Rubidium Ions, PDB code: 6arl:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6arl

Go back to Chlorine Binding Sites List in 6arl
Chlorine binding site 1 out of 4 in the Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Rubidium Ions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Rubidium Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:38.7
occ:0.84
 O B:HOH590 2.8 41.1 1.0
O B:HOH647 2.9 31.0 1.0
N A:GLY389 3.2 36.9 1.0
ND2 A:ASN385 3.3 34.6 1.0
NE B:ARG71 3.3 36.1 1.0
C A:GLY387 3.5 40.9 1.0
CA A:GLY389 3.6 36.7 1.0
O A:GLY387 3.6 39.7 1.0
CD B:ARG71 3.7 33.9 1.0
CZ B:ARG71 3.8 37.1 1.0
N A:GLY388 3.8 43.3 1.0
C A:GLY388 3.9 42.5 1.0
CA A:GLY387 4.0 41.1 1.0
CG B:ARG71 4.1 32.8 1.0
NH2 B:ARG71 4.2 39.3 1.0
O A:GLY386 4.2 38.5 1.0
CA A:GLY388 4.2 43.0 1.0
ND2 B:ASN68 4.4 28.8 1.0
NH1 B:ARG71 4.4 35.9 1.0
CG A:ASN385 4.4 34.9 1.0
CB B:ARG71 4.6 29.8 1.0
CB A:ALA288 4.6 41.2 1.0
O A:GLY388 4.7 42.7 1.0
OD1 A:ASN385 4.8 35.1 1.0
N A:GLY387 4.8 41.9 1.0
O A:ASN385 4.8 37.5 1.0
C A:GLY386 4.8 40.3 1.0
C A:GLY389 4.9 37.4 1.0
O A:HOH511 4.9 27.7 1.0

Chlorine binding site 2 out of 4 in 6arl

Go back to Chlorine Binding Sites List in 6arl
Chlorine binding site 2 out of 4 in the Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Rubidium Ions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Rubidium Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl404

b:49.1
occ:1.00
 O A:HOH621 2.7 30.0 1.0
O B:HOH568 2.8 40.0 1.0
ND2 B:ASN385 3.3 32.8 1.0
NE A:ARG71 3.4 31.8 1.0
N B:GLY389 3.4 39.9 1.0
CD A:ARG71 3.5 30.5 1.0
C B:GLY387 3.7 41.2 1.0
O B:GLY387 3.8 43.7 1.0
CA B:GLY389 3.8 38.2 1.0
CZ A:ARG71 3.8 32.8 1.0
CG A:ARG71 3.9 29.8 1.0
N B:GLY388 4.0 39.4 1.0
CA B:GLY387 4.0 36.7 1.0
O B:GLY386 4.0 32.2 1.0
C B:GLY388 4.1 43.0 1.0
ND2 A:ASN68 4.3 24.4 1.0
NH2 A:ARG71 4.3 33.7 1.0
NH1 A:ARG71 4.4 32.6 1.0
CG B:ASN385 4.4 31.8 1.0
CA B:GLY388 4.4 43.7 1.0
CB A:ARG71 4.5 28.2 1.0
OD1 B:ASN385 4.6 32.8 1.0
CB B:ALA288 4.7 43.7 1.0
O B:HOH604 4.7 38.7 1.0
C B:GLY386 4.8 34.0 1.0
N B:GLY387 4.8 34.7 1.0
O A:CYS85 4.9 29.5 1.0

Chlorine binding site 3 out of 4 in 6arl

Go back to Chlorine Binding Sites List in 6arl
Chlorine binding site 3 out of 4 in the Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Rubidium Ions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Rubidium Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl405

b:22.6
occ:0.86
 O D:HOH729 2.8 15.5 1.0
O C:HOH604 2.9 14.5 1.0
N C:GLY389 3.2 13.2 1.0
ND2 C:ASN385 3.3 11.5 1.0
NE D:ARG71 3.3 12.4 1.0
CA C:GLY389 3.5 12.7 1.0
CD D:ARG71 3.6 11.8 1.0
C C:GLY387 3.6 15.3 1.0
O C:GLY387 3.6 15.6 1.0
CZ D:ARG71 3.8 12.9 1.0
N C:GLY388 3.9 14.5 1.0
C C:GLY388 3.9 14.3 1.0
CG D:ARG71 4.0 11.4 1.0
CA C:GLY387 4.1 14.9 1.0
O C:GLY386 4.2 12.6 1.0
NH2 D:ARG71 4.3 13.5 1.0
CA C:GLY388 4.3 14.9 1.0
NH1 D:ARG71 4.4 12.8 1.0
CG C:ASN385 4.4 11.3 1.0
ND2 D:ASN68 4.5 11.6 1.0
CB D:ARG71 4.6 10.8 1.0
O C:HOH565 4.6 14.4 1.0
OD1 C:ASN385 4.6 11.1 1.0
CB C:ALA288 4.6 14.1 1.0
O C:GLY388 4.8 14.8 1.0
N C:GLY387 4.9 14.6 1.0
C C:GLY386 4.9 13.3 1.0
C C:GLY389 4.9 12.6 1.0

Chlorine binding site 4 out of 4 in 6arl

Go back to Chlorine Binding Sites List in 6arl
Chlorine binding site 4 out of 4 in the Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Rubidium Ions


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Aspergillus Fumigatus Cytosolic Thiolase: Apo Enzyme in Complex with Rubidium Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl407

b:15.3
occ:0.84
 O C:HOH788 2.7 16.7 1.0
O D:HOH586 2.9 23.4 1.0
ND2 D:ASN385 3.3 9.1 1.0
N D:GLY389 3.4 10.7 1.0
NE C:ARG71 3.5 8.7 1.0
CD C:ARG71 3.5 8.4 1.0
C D:GLY387 3.7 10.5 1.0
CA D:GLY389 3.7 10.8 1.0
O D:GLY387 3.8 10.4 1.0
CG C:ARG71 3.9 8.1 1.0
N D:GLY388 3.9 11.5 1.0
CZ C:ARG71 4.0 9.1 1.0
CA D:GLY387 4.1 10.6 1.0
O D:GLY386 4.1 10.9 1.0
C D:GLY388 4.1 11.6 1.0
ND2 C:ASN68 4.2 8.3 1.0
CB C:ARG71 4.4 7.8 1.0
CA D:GLY388 4.4 11.4 1.0
CG D:ASN385 4.4 9.2 1.0
NH2 C:ARG71 4.6 9.4 1.0
NH1 C:ARG71 4.6 9.2 1.0
OD1 D:ASN385 4.7 9.2 1.0
O C:CYS85 4.7 9.3 1.0
O D:HOH551 4.8 14.6 1.0
C D:GLY386 4.9 11.3 1.0
N D:GLY387 4.9 10.7 1.0
CB D:ALA288 4.9 10.7 1.0
O D:ASN385 5.0 9.6 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: Sat Dec 12 12:44:23 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy