Atomistry » Chlorine » PDB 6p8z-6phi » 6pcd
Atomistry »
  Chlorine »
    PDB 6p8z-6phi »
      6pcd »

Chlorine in PDB 6pcd: Crystal Structure of Beta-Ketoadipyl-Coa Thiolase Mutant (C90S-H356A) in Complex Octanoyl Coenzyme A

Enzymatic activity of Crystal Structure of Beta-Ketoadipyl-Coa Thiolase Mutant (C90S-H356A) in Complex Octanoyl Coenzyme A

All present enzymatic activity of Crystal Structure of Beta-Ketoadipyl-Coa Thiolase Mutant (C90S-H356A) in Complex Octanoyl Coenzyme A:
2.3.1.16; 2.3.1.174;

Protein crystallography data

The structure of Crystal Structure of Beta-Ketoadipyl-Coa Thiolase Mutant (C90S-H356A) in Complex Octanoyl Coenzyme A, PDB code: 6pcd was solved by B.Sukritee, S.Panjikar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.99 / 1.37
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 111.078, 116.621, 128.561, 90.00, 90.00, 90.00
R / Rfree (%) 14 / 17.3

Other elements in 6pcd:

The structure of Crystal Structure of Beta-Ketoadipyl-Coa Thiolase Mutant (C90S-H356A) in Complex Octanoyl Coenzyme A also contains other interesting chemical elements:

Potassium (K) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Beta-Ketoadipyl-Coa Thiolase Mutant (C90S-H356A) in Complex Octanoyl Coenzyme A (pdb code 6pcd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Beta-Ketoadipyl-Coa Thiolase Mutant (C90S-H356A) in Complex Octanoyl Coenzyme A, PDB code: 6pcd:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 6pcd

Go back to Chlorine Binding Sites List in 6pcd
Chlorine binding site 1 out of 5 in the Crystal Structure of Beta-Ketoadipyl-Coa Thiolase Mutant (C90S-H356A) in Complex Octanoyl Coenzyme A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Beta-Ketoadipyl-Coa Thiolase Mutant (C90S-H356A) in Complex Octanoyl Coenzyme A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:19.3
occ:0.70
 O A:HOH820 3.1 18.5 1.0
ND2 A:ASN322 3.1 33.1 1.0
O A:HOH767 3.2 19.4 1.0
NH1 A:ARG364 3.4 21.1 1.0
CB A:SER361 3.8 21.3 0.5
CB A:SER361 3.8 17.9 0.5
CD2 A:LEU365 3.8 24.2 1.0
CB A:ALA351 3.9 18.5 1.0
CB A:ASN322 3.9 22.2 1.0
CG A:LEU365 4.0 19.4 1.0
CG A:ASN322 4.0 28.8 1.0
OG A:SER361 4.0 23.0 0.5
CA A:ASN322 4.2 19.1 1.0
O A:SER361 4.2 16.1 0.5
CD1 A:LEU365 4.3 22.2 1.0
CZ A:ARG364 4.4 20.5 1.0
O A:SER361 4.4 18.6 0.5
NE A:ARG364 4.5 17.3 1.0
CE A:MET385 4.5 17.6 0.5
CA A:SER361 4.5 18.3 0.5
OG A:SER361 4.6 18.7 0.5
CA A:SER361 4.6 17.3 0.5
CB A:ALA356 4.6 23.5 1.0
C A:SER361 4.6 15.6 0.5
C A:SER361 4.7 16.8 0.5
N A:GLU323 4.8 18.0 1.0
N A:ALA351 4.8 17.4 1.0
CA A:ALA351 4.8 17.8 1.0
O A:GLY355 4.8 19.4 1.0
O A:HOH821 5.0 25.2 1.0

Chlorine binding site 2 out of 5 in 6pcd

Go back to Chlorine Binding Sites List in 6pcd
Chlorine binding site 2 out of 5 in the Crystal Structure of Beta-Ketoadipyl-Coa Thiolase Mutant (C90S-H356A) in Complex Octanoyl Coenzyme A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Beta-Ketoadipyl-Coa Thiolase Mutant (C90S-H356A) in Complex Octanoyl Coenzyme A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:21.4
occ:1.00
 O B:HOH827 3.1 17.4 1.0
OD1 B:ASN322 3.1 34.0 1.0
O B:HOH771 3.2 18.6 1.0
NH2 B:ARG364 3.4 20.0 1.0
CB B:SER361 3.8 15.4 0.5
CB B:SER361 3.8 20.4 0.5
CD2 B:LEU365 3.8 22.3 1.0
CB B:ALA351 3.9 18.5 1.0
CG B:ASN322 3.9 29.7 1.0
CB B:ASN322 4.0 18.6 1.0
CG B:LEU365 4.0 17.0 1.0
OG B:SER361 4.0 22.5 0.5
CA B:ASN322 4.2 17.2 1.0
O B:SER361 4.2 15.5 0.5
CD1 B:LEU365 4.3 20.4 1.0
O B:HOH701 4.3 51.2 1.0
CZ B:ARG364 4.4 16.9 1.0
O B:SER361 4.4 17.4 0.5
NE B:ARG364 4.5 16.7 1.0
OG B:SER361 4.5 15.1 0.5
CA B:SER361 4.6 17.3 0.5
CA B:SER361 4.6 14.9 0.5
CB B:ALA356 4.6 23.3 1.0
C B:SER361 4.7 14.6 0.5
CE B:MET385 4.7 19.3 1.0
C B:SER361 4.7 15.8 0.5
CA B:ALA351 4.7 16.7 1.0
N B:ALA351 4.7 16.3 1.0
N B:GLU323 4.8 16.9 1.0
O B:GLY355 4.9 18.6 1.0
O B:HOH802 5.0 21.6 1.0

Chlorine binding site 3 out of 5 in 6pcd

Go back to Chlorine Binding Sites List in 6pcd
Chlorine binding site 3 out of 5 in the Crystal Structure of Beta-Ketoadipyl-Coa Thiolase Mutant (C90S-H356A) in Complex Octanoyl Coenzyme A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Beta-Ketoadipyl-Coa Thiolase Mutant (C90S-H356A) in Complex Octanoyl Coenzyme A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:35.9
occ:1.00
 O3 C:GOL502 2.7 37.0 1.0
NE B:ARG65 3.2 21.0 1.0
O B:HOH640 3.2 30.2 1.0
N C:GLY146 3.2 17.4 1.0
C3 C:GOL502 3.4 34.6 1.0
CG1 C:ILE145 3.7 21.9 1.0
CD B:ARG65 3.8 19.2 1.0
CA C:GLY146 3.9 17.7 1.0
CD1 C:LEU358 4.0 21.7 1.0
CZ B:ARG65 4.1 21.4 1.0
C C:ILE145 4.2 17.0 1.0
NH2 B:ARG65 4.2 24.8 1.0
CA C:ILE145 4.2 16.0 1.0
CG B:ARG65 4.3 17.2 1.0
CD2 C:LEU89 4.5 17.5 1.0
CB C:ILE145 4.6 17.2 1.0
C2 C:GOL502 4.7 35.9 1.0
C C:GLY146 4.7 17.0 1.0
CD1 C:ILE145 4.7 25.3 1.0
O C:GLY146 4.7 18.9 1.0
NH2 C:ARG148 4.7 19.4 1.0
CD1 C:LEU89 4.8 17.6 1.0

Chlorine binding site 4 out of 5 in 6pcd

Go back to Chlorine Binding Sites List in 6pcd
Chlorine binding site 4 out of 5 in the Crystal Structure of Beta-Ketoadipyl-Coa Thiolase Mutant (C90S-H356A) in Complex Octanoyl Coenzyme A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Beta-Ketoadipyl-Coa Thiolase Mutant (C90S-H356A) in Complex Octanoyl Coenzyme A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl503

b:18.8
occ:1.00
 O C:HOH823 3.1 16.1 1.0
ND2 C:ASN322 3.1 29.4 1.0
O C:HOH782 3.1 16.9 1.0
NH2 C:ARG364 3.4 18.0 1.0
CD2 C:LEU365 3.7 22.0 1.0
CB C:SER361 3.8 19.2 0.5
CB C:SER361 3.8 13.1 0.5
CB C:ALA351 3.9 15.2 1.0
CB C:ASN322 4.0 18.1 1.0
CG C:LEU365 4.0 16.5 1.0
CG C:ASN322 4.0 26.8 1.0
OG C:SER361 4.1 21.9 0.5
CD1 C:LEU365 4.2 21.4 1.0
CA C:ASN322 4.2 14.2 1.0
O C:SER361 4.2 14.6 0.5
CZ C:ARG364 4.4 15.7 1.0
O C:SER361 4.4 16.1 0.5
NE C:ARG364 4.5 16.7 1.0
CA C:SER361 4.5 16.3 0.5
CE C:MET385 4.6 21.0 1.0
OG C:SER361 4.6 13.7 0.5
CA C:SER361 4.6 13.7 0.5
C C:SER361 4.7 13.5 0.5
C C:SER361 4.7 15.1 0.5
N C:GLU323 4.7 14.7 1.0
CA C:ALA351 4.7 13.6 1.0
N C:ALA351 4.7 15.0 1.0
O C:GLY355 4.8 16.2 1.0
CB C:ALA356 4.8 21.7 1.0
O C:HOH760 4.9 21.1 1.0

Chlorine binding site 5 out of 5 in 6pcd

Go back to Chlorine Binding Sites List in 6pcd
Chlorine binding site 5 out of 5 in the Crystal Structure of Beta-Ketoadipyl-Coa Thiolase Mutant (C90S-H356A) in Complex Octanoyl Coenzyme A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Beta-Ketoadipyl-Coa Thiolase Mutant (C90S-H356A) in Complex Octanoyl Coenzyme A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl504

b:19.9
occ:1.00
 O D:HOH823 3.1 16.4 1.0
O D:HOH808 3.2 17.7 1.0
ND2 D:ASN322 3.2 27.1 1.0
NH1 D:ARG364 3.4 19.6 1.0
CB D:SER361 3.8 14.7 0.5
CD2 D:LEU365 3.8 21.7 1.0
CB D:ALA351 3.8 15.3 1.0
CB D:SER361 3.9 20.4 0.5
CB D:ASN322 4.0 17.9 1.0
CG D:LEU365 4.0 16.7 1.0
OG D:SER361 4.0 23.0 0.5
CG D:ASN322 4.1 24.0 1.0
CA D:ASN322 4.2 15.2 1.0
O D:SER361 4.2 15.6 0.5
CD1 D:LEU365 4.3 19.6 1.0
CZ D:ARG364 4.3 17.0 1.0
O D:SER361 4.4 17.1 0.5
NE D:ARG364 4.5 16.7 1.0
OG D:SER361 4.5 14.8 0.5
CA D:SER361 4.6 14.6 0.5
CA D:SER361 4.6 17.6 0.5
CB D:ALA356 4.6 23.2 1.0
C D:SER361 4.7 14.9 0.5
CE D:MET385 4.7 20.1 1.0
CA D:ALA351 4.7 14.3 1.0
C D:SER361 4.7 16.8 0.5
N D:GLU323 4.7 16.0 1.0
N D:ALA351 4.8 15.0 1.0
O D:GLY355 4.8 16.2 1.0
O D:HOH798 4.9 21.8 1.0

Reference:

S.Bhaskar, D.Steer, R.Anand, S.Panjikar. Structural Basis For Differentiation Between Two Classes of Thiolase: Degradative Vs Biosynthetic Thiolase J Struct Biol X 2020.
ISSN: ESSN 2590-1524
DOI: 10.1016/J.YJSBX.2019.100018
Page generated: Mon Jul 29 13:18:34 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy