Iodine in PDB 3eqg: X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Ternary Complex with Pd, Adp and MG2P

Enzymatic activity of X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Ternary Complex with Pd, Adp and MG2P

All present enzymatic activity of X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Ternary Complex with Pd, Adp 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 Ternary Complex with Pd, Adp and MG2P, PDB code: 3eqg 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)*	16.54 / 2.50
*Space group*	P 6₁ 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	76.000, 76.000, 222.320, 90.00, 90.00, 120.00
*R / R_free (%)*	20.7 / 27.3

Other elements in 3eqg:

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

Fluorine	(F)	3 atoms
Magnesium	(Mg)	1 atom
Calcium	(Ca)	1 atom
Sodium	(Na)	1 atom

Iodine Binding Sites:

The binding sites of Iodine atom in the X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Ternary Complex with Pd, Adp and MG2P (pdb code 3eqg). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Ternary Complex with Pd, Adp and MG2P, PDB code: 3eqg:

Iodine binding site 1 out of 1 in 3eqg

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Iodine Binding Sites List in 3eqg

Iodine binding site 1 out of 1 in the X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Ternary Complex with Pd, Adp and MG2P

Mono view

Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of X-Ray Structure of the Human Mitogen-Activated Protein Kinase Kinase 1 (MEK1) in A Ternary Complex with Pd, Adp and MG2P within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:I1 b:57.0 occ:1.00	I23	A:4BM1	0.0	57.0	1.0
	C04	A:4BM1	2.1	47.3	1.0
	C05	A:4BM1	3.0	48.0	1.0
	C03	A:4BM1	3.2	43.1	1.0
	O	A:VAL127	3.2	45.7	1.0
	CZ	A:PHE209	3.9	44.5	1.0
	C	A:VAL127	4.1	47.3	1.0
	CD2	A:LEU118	4.1	52.3	1.0
	CB	A:VAL127	4.1	42.9	1.0
	CE2	A:PHE209	4.2	46.2	1.0
	C06	A:4BM1	4.4	46.6	1.0
	C02	A:4BM1	4.4	46.2	1.0
	CB	A:CYS207	4.6	58.6	1.0
	CG1	A:VAL127	4.6	44.0	1.0
	CA	A:VAL127	4.6	40.7	1.0
	CA	A:CYS207	4.6	54.9	1.0
	CD1	A:LEU118	4.6	53.3	1.0
	O	A:GLY128	4.8	48.6	1.0
	CB	A:PHE129	4.8	48.3	1.0
	CE1	A:PHE209	4.8	45.1	1.0
	N	A:VAL127	4.8	41.4	1.0
	CG2	A:ILE126	4.8	43.6	1.0
	O	A:LEU206	4.8	44.9	1.0
	C	A:GLY128	4.9	49.9	1.0
	CG	A:LEU118	4.9	55.4	1.0
	CE	A:MET143	5.0	61.1	1.0
	CB	A:MET143	5.0	53.3	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: Sun Aug 11 15:06:43 2024

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