Atomistry » Chlorine » PDB 3k1s-3k9q » 3k8x
Atomistry »
  Chlorine »
    PDB 3k1s-3k9q »
      3k8x »

Chlorine in PDB 3k8x: Crystal Structure of the Carboxyltransferase Domain of Acetyl-Coenzyme A Carboxylase in Complex with Tepraloxydim

Enzymatic activity of Crystal Structure of the Carboxyltransferase Domain of Acetyl-Coenzyme A Carboxylase in Complex with Tepraloxydim

All present enzymatic activity of Crystal Structure of the Carboxyltransferase Domain of Acetyl-Coenzyme A Carboxylase in Complex with Tepraloxydim:
6.3.4.14; 6.4.1.2;

Protein crystallography data

The structure of Crystal Structure of the Carboxyltransferase Domain of Acetyl-Coenzyme A Carboxylase in Complex with Tepraloxydim, PDB code: 3k8x was solved by S.Xiang, M.M.Callaghan, K.G.Watson, L.Tong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.30
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 247.303, 124.797, 145.369, 90.00, 94.32, 90.00
R / Rfree (%) 18.7 / 22.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Carboxyltransferase Domain of Acetyl-Coenzyme A Carboxylase in Complex with Tepraloxydim (pdb code 3k8x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Carboxyltransferase Domain of Acetyl-Coenzyme A Carboxylase in Complex with Tepraloxydim, PDB code: 3k8x:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 3k8x

Go back to Chlorine Binding Sites List in 3k8x
Chlorine binding site 1 out of 3 in the Crystal Structure of the Carboxyltransferase Domain of Acetyl-Coenzyme A Carboxylase in Complex with Tepraloxydim


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 the Carboxyltransferase Domain of Acetyl-Coenzyme A Carboxylase in Complex with Tepraloxydim within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1

b:52.6
occ:1.00
CLAD A:B891 0.0 52.6 1.0
CAE A:B891 1.8 46.9 1.0
CAF A:B891 2.7 46.9 1.0
CG A:TYR1738 3.5 28.1 1.0
CB A:TYR1738 3.5 25.3 1.0
CD2 A:TYR1738 3.8 30.7 1.0
CAH A:B891 4.0 45.0 1.0
CB A:ALA1712 4.1 19.9 1.0
CD1 A:TYR1738 4.1 29.7 1.0
CD1 A:ILE1735 4.4 18.2 1.0
CD1 A:LEU1742 4.5 20.0 1.0
CE2 A:TYR1738 4.6 31.4 1.0
CE1 A:TYR1738 4.8 33.1 1.0
OAQ A:B891 4.9 43.0 1.0

Chlorine binding site 2 out of 3 in 3k8x

Go back to Chlorine Binding Sites List in 3k8x
Chlorine binding site 2 out of 3 in the Crystal Structure of the Carboxyltransferase Domain of Acetyl-Coenzyme A Carboxylase in Complex with Tepraloxydim


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 the Carboxyltransferase Domain of Acetyl-Coenzyme A Carboxylase in Complex with Tepraloxydim within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl2

b:50.3
occ:1.00
CLAD B:B892 0.0 50.3 1.0
CAE B:B892 1.8 46.0 1.0
CAF B:B892 2.7 44.4 1.0
CG1 C:VAL2001 3.4 23.3 1.0
CB B:TYR1738 3.5 22.0 1.0
CG1 C:VAL2002 3.6 24.9 1.0
CG B:TYR1738 3.6 24.3 1.0
CD2 B:TYR1738 3.8 25.2 1.0
CB B:ALA1712 3.9 16.8 1.0
CAH B:B892 4.0 43.8 1.0
CD1 B:TYR1738 4.2 27.1 1.0
CB C:VAL2001 4.3 24.4 1.0
CG2 C:VAL1975 4.3 18.2 1.0
CD1 B:LEU1742 4.4 21.5 1.0
CD1 B:ILE1735 4.4 20.1 1.0
CE2 B:TYR1738 4.6 27.9 1.0
N C:VAL2002 4.7 23.9 1.0
CB C:VAL2002 4.8 24.7 1.0
CA C:VAL2002 4.8 24.2 1.0
OAQ B:B892 4.9 42.3 1.0
C C:VAL2001 4.9 24.6 1.0
CE1 B:TYR1738 5.0 29.0 1.0

Chlorine binding site 3 out of 3 in 3k8x

Go back to Chlorine Binding Sites List in 3k8x
Chlorine binding site 3 out of 3 in the Crystal Structure of the Carboxyltransferase Domain of Acetyl-Coenzyme A Carboxylase in Complex with Tepraloxydim


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 the Carboxyltransferase Domain of Acetyl-Coenzyme A Carboxylase in Complex with Tepraloxydim within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl3

b:64.3
occ:1.00
CLAD C:B893 0.0 64.3 1.0
CAE C:B893 1.7 61.1 1.0
CAF C:B893 2.7 59.9 1.0
CG1 B:VAL2001 3.3 31.2 1.0
CG1 B:VAL2002 3.4 28.3 1.0
CG C:TYR1738 3.5 29.7 1.0
CB C:TYR1738 3.5 26.4 1.0
CD2 C:TYR1738 3.8 32.5 1.0
CB C:ALA1712 4.0 21.6 1.0
CAH C:B893 4.0 58.9 1.0
CB B:VAL2001 4.1 31.6 1.0
CD1 C:TYR1738 4.1 32.8 1.0
CD1 C:ILE1735 4.2 22.7 1.0
CG2 B:VAL1975 4.3 20.1 1.0
N B:VAL2002 4.5 30.0 1.0
CD1 C:LEU1742 4.5 19.6 1.0
CE2 C:TYR1738 4.6 33.0 1.0
CB B:VAL2002 4.7 30.1 1.0
CA B:VAL2002 4.7 29.9 1.0
C B:VAL2001 4.8 31.0 1.0
OAQ C:B893 4.8 56.6 1.0
CE1 C:TYR1738 4.8 35.1 1.0

Reference:

S.Xiang, M.M.Callaghan, K.G.Watson, L.Tong. A Different Mechanism For the Inhibition of the Carboxyltransferase Domain of Acetyl-Coenzyme A Carboxylase By Tepraloxydim. Proc.Natl.Acad.Sci.Usa V. 106 20723 2009.
ISSN: ISSN 0027-8424
PubMed: 19926852
DOI: 10.1073/PNAS.0908431106
Page generated: Sat Jul 20 22:28:37 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