Chlorine in PDB 2q8i: Pyruvate Dehydrogenase Kinase Isoform 3 in Complex with Antitumor Drug Radicicol

Enzymatic activity of Pyruvate Dehydrogenase Kinase Isoform 3 in Complex with Antitumor Drug Radicicol

All present enzymatic activity of Pyruvate Dehydrogenase Kinase Isoform 3 in Complex with Antitumor Drug Radicicol:
2.3.1.12; 2.7.11.2;

Protein crystallography data

The structure of Pyruvate Dehydrogenase Kinase Isoform 3 in Complex with Antitumor Drug Radicicol, PDB code: 2q8i was solved by M.Kato, J.Li, J.L.Chuang, D.T.Chuang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	50.00 / 2.60
*Space group*	P 6₅ 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	120.872, 120.872, 239.637, 90.00, 90.00, 120.00
*R / R_free (%)*	20.5 / 23.8

Other elements in 2q8i:

The structure of Pyruvate Dehydrogenase Kinase Isoform 3 in Complex with Antitumor Drug Radicicol also contains other interesting chemical elements:

Potassium

(K)

1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Pyruvate Dehydrogenase Kinase Isoform 3 in Complex with Antitumor Drug Radicicol (pdb code 2q8i). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Pyruvate Dehydrogenase Kinase Isoform 3 in Complex with Antitumor Drug Radicicol, PDB code: 2q8i:

Chlorine binding site 1 out of 1 in 2q8i

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Chlorine Binding Sites List in 2q8i

Chlorine binding site 1 out of 1 in the Pyruvate Dehydrogenase Kinase Isoform 3 in Complex with Antitumor Drug Radicicol

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pyruvate Dehydrogenase Kinase Isoform 3 in Complex with Antitumor Drug Radicicol within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl408 b:44.4 occ:1.00	CL1	A:RDC408	0.0	44.4	1.0
	C6	A:RDC408	1.8	39.3	1.0
	C7	A:RDC408	2.7	38.6	1.0
	C5	A:RDC408	2.9	37.2	1.0
	C9	A:RDC408	2.9	45.3	1.0
	C8	A:RDC408	2.9	40.0	1.0
	O4	A:RDC408	3.0	37.5	1.0
	O5	A:RDC408	3.2	44.7	1.0
	ND2	A:ASN251	3.3	52.7	1.0
	C10	A:RDC408	3.5	43.3	1.0
	CD2	A:LEU328	3.6	50.3	1.0
	CD1	A:LEU328	3.9	49.4	1.0
	CD2	A:LEU344	4.0	58.2	1.0
	C2	A:RDC408	4.0	39.8	1.0
	CD1	A:LEU344	4.0	58.8	1.0
	CG	A:LEU328	4.1	51.3	1.0
	C4	A:RDC408	4.1	33.7	1.0
	CG	A:ASN251	4.2	50.3	1.0
	CB	A:ASN251	4.3	51.8	1.0
	CG	A:LEU344	4.3	57.7	1.0
	CB	A:LEU328	4.4	52.1	1.0
	C11	A:RDC408	4.5	44.1	1.0
	C3	A:RDC408	4.6	35.6	1.0
	CD2	A:LEU248	4.7	47.3	1.0

Reference:

M.Kato, J.Li, J.L.Chuang, D.T.Chuang. Distinct Structural Mechanisms For Inhibition of Pyruvate Dehydrogenase Kinase Isoforms By AZD7545, Dichloroacetate, and Radicicol. Structure V. 15 992 2007.
ISSN: ISSN 0969-2126
PubMed: 17683942
DOI: 10.1016/J.STR.2007.07.001

Page generated: Sat Jul 20 10:32:31 2024

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