Magnesium in PDB 8egd: Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibitor

Enzymatic activity of Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibitor

All present enzymatic activity of Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibitor:
2.7.11.4;

Protein crystallography data

The structure of Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibitor, PDB code: 8egd was solved by S.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	96.96 / 2.05
*Space group*	P 6₄ 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	111.96, 111.96, 137.18, 90, 90, 120
*R / R_free (%)*	23.9 / 26.5

Other elements in 8egd:

The structure of Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibitor also contains other interesting chemical elements:

Potassium

(K)

1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibitor (pdb code 8egd). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibitor, PDB code: 8egd:

Magnesium binding site 1 out of 1 in 8egd

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Magnesium Binding Sites List in 8egd

Magnesium binding site 1 out of 1 in the Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibitor

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Branched Chain Ketoacid Dehydrogenase Kinase in Complex with Inhibitor within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg402 b:67.0 occ:1.00	OE1	A:GLU245	2.4	58.4	1.0
	CE	A:LYS248	2.9	61.8	1.0
	NZ	A:LYS248	2.9	63.9	1.0
	OD1	A:ASN249	3.0	47.2	1.0
	O1B	A:ADP401	3.0	64.9	1.0
	O1A	A:ADP401	3.2	61.3	1.0
	O	A:GLU245	3.3	43.1	1.0
	CD	A:GLU245	3.6	60.2	1.0
	CG	A:ASN249	3.7	45.7	1.0
	CB	A:GLU245	3.7	47.4	1.0
	CA	A:GLU245	3.7	44.4	1.0
	ND2	A:ASN249	3.8	43.9	1.0
	CA	A:GLY339	3.8	46.2	1.0
	C	A:GLU245	3.9	43.1	1.0
	CG	A:GLU245	4.1	53.3	1.0
	PB	A:ADP401	4.2	65.0	1.0
	CD	A:LYS248	4.2	57.6	1.0
	PA	A:ADP401	4.4	61.4	1.0
	O3A	A:ADP401	4.4	63.6	1.0
	N	A:GLY339	4.6	47.2	1.0
	O3B	A:ADP401	4.6	65.5	1.0
	OE2	A:GLU245	4.6	64.2	1.0
	CB	A:LYS248	4.6	46.5	1.0
	C	A:GLY339	4.7	45.5	1.0
	CG	A:LYS248	4.9	52.7	1.0
	N	A:ASN249	4.9	42.3	1.0
	NH2	A:ARG252	4.9	72.7	1.0
	CB	A:ASN249	5.0	42.3	1.0

Reference:

S.Liu, B.L.Kormos, J.D.Knafels, P.V.Sahasrabudhe, A.Rosado, R.F.Sommese, A.R.Reyes, J.Ward, R.J.Roth Flach, X.Wang, L.M.Buzon, M.R.Reese, S.K.Bhattacharya, K.Omoto, K.J.Filipski. Structural Studies Identify Angiotensin II Receptor Blocker-Like Compounds As Branched-Chain Ketoacid Dehydrogenase Kinase Inhibitors. J.Biol.Chem. V. 299 02959 2023.
ISSN: ESSN 1083-351X
PubMed: 36717078
DOI: 10.1016/J.JBC.2023.102959

Page generated: Fri Oct 4 01:13:30 2024

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