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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 Dec 12 09:50:34 2020

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