Magnesium in PDB 3eqd: X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Binary Complex with Atp-Gs and MG2P

Enzymatic activity of X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Binary Complex with Atp-Gs and MG2P

All present enzymatic activity of X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Binary Complex with Atp-Gs and MG2P:
2.7.12.2;

Protein crystallography data

The structure of X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Binary Complex with Atp-Gs and MG2P, PDB code: 3eqd was solved by T.O.Fischmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	25.00 / 2.10
*Space group*	P 6₁ 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	77.010, 77.010, 222.370, 90.00, 90.00, 120.00
*R / R_free (%)*	n/a / n/a

Other elements in 3eqd:

The structure of X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Binary Complex with Atp-Gs and MG2P also contains other interesting chemical elements:

Calcium	(Ca)	1 atom
Sodium	(Na)	1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Binary Complex with Atp-Gs and MG2P (pdb code 3eqd). 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 X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Binary Complex with Atp-Gs and MG2P, PDB code: 3eqd:

Magnesium binding site 1 out of 1 in 3eqd

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Magnesium Binding Sites List in 3eqd

Magnesium binding site 1 out of 1 in the X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Binary Complex with Atp-Gs and MG2P

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Binary Complex with Atp-Gs and MG2P within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg3 b:39.0 occ:1.00	OD2	A:ASP208	2.0	65.4	1.0
	O1B	A:AGS2	2.1	66.2	1.0
	O	A:HOH520	2.3	49.3	1.0
	OD1	A:ASN195	2.3	31.8	1.0
	O	A:HOH521	2.5	50.8	1.0
	O2A	A:AGS2	2.5	62.8	1.0
	CG	A:ASP208	3.1	57.3	1.0
	PB	A:AGS2	3.4	67.8	1.0
	PA	A:AGS2	3.5	62.8	1.0
	CG	A:ASN195	3.5	43.0	1.0
	O3A	A:AGS2	3.7	65.7	1.0
	CB	A:ASP208	3.8	43.1	1.0
	O5'	A:AGS2	3.9	60.0	1.0
	O	A:SER194	4.0	35.2	1.0
	NZ	A:LYS97	4.0	66.1	1.0
	ND2	A:ASN195	4.1	31.7	1.0
	OD1	A:ASP208	4.1	58.4	1.0
	O2G	A:AGS2	4.1	76.0	1.0
	O2B	A:AGS2	4.3	67.9	1.0
	OG	A:SER194	4.4	40.1	1.0
	O3B	A:AGS2	4.5	72.6	1.0
	SG	A:CYS207	4.6	41.8	1.0
	C	A:SER194	4.6	35.5	1.0
	CB	A:ASN195	4.7	31.6	1.0
	CA	A:ASN195	4.7	31.4	1.0
	O1A	A:AGS2	4.8	63.7	1.0
	PG	A:AGS2	4.8	76.5	1.0
	C3'	A:AGS2	5.0	55.3	1.0
	N	A:ASN195	5.0	31.8	1.0

Reference:

T.O.Fischmann, C.K.Smith, T.W.Mayhood, J.E.Myers, P.Reichert, A.Mannarino, D.Carr, H.Zhu, J.Wong, R.S.Yang, H.V.Le, V.S.Madison. Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors. Biochemistry V. 48 2661 2009.
ISSN: ISSN 0006-2960
PubMed: 19161339
DOI: 10.1021/BI801898E

Page generated: Wed Aug 14 13:16:19 2024

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