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 / R_free (%)*	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

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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

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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

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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: Fri Jul 11 06:53:13 2025

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