Magnesium in PDB 7k1i: Egfr Kinase (L858R/V948R) in Complex with Allosteric Inhibitor Jbj-09- 063

Enzymatic activity of Egfr Kinase (L858R/V948R) in Complex with Allosteric Inhibitor Jbj-09- 063

All present enzymatic activity of Egfr Kinase (L858R/V948R) in Complex with Allosteric Inhibitor Jbj-09- 063:
2.7.10.1;

Protein crystallography data

The structure of Egfr Kinase (L858R/V948R) in Complex with Allosteric Inhibitor Jbj-09- 063, PDB code: 7k1i was solved by T.S.Beyett, M.J.Eck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	53.94 / 3.20
*Space group*	C 1 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	148.03, 35.8, 54.8, 90, 100.19, 90
*R / R_free (%)*	26.3 / 31.1

Other elements in 7k1i:

The structure of Egfr Kinase (L858R/V948R) in Complex with Allosteric Inhibitor Jbj-09- 063 also contains other interesting chemical elements:

Fluorine

(F)

1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Egfr Kinase (L858R/V948R) in Complex with Allosteric Inhibitor Jbj-09- 063 (pdb code 7k1i). 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 Egfr Kinase (L858R/V948R) in Complex with Allosteric Inhibitor Jbj-09- 063, PDB code: 7k1i:

Magnesium binding site 1 out of 1 in 7k1i

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Magnesium Binding Sites List in 7k1i

Magnesium binding site 1 out of 1 in the Egfr Kinase (L858R/V948R) in Complex with Allosteric Inhibitor Jbj-09- 063

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Egfr Kinase (L858R/V948R) in Complex with Allosteric Inhibitor Jbj-09- 063 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg1101 b:68.3 occ:1.00	O2A	A:ANP1102	1.8	167.3	1.0
	O1B	A:ANP1102	1.9	161.8	1.0
	O2G	A:ANP1102	2.1	161.3	1.0
	OD2	A:ASP855	2.1	139.7	1.0
	OD1	A:ASN842	2.3	122.9	1.0
	PA	A:ANP1102	3.1	163.8	1.0
	PB	A:ANP1102	3.2	160.4	1.0
	CG	A:ASP855	3.3	134.4	1.0
	CG	A:ASN842	3.5	118.7	1.0
	O3A	A:ANP1102	3.5	165.5	1.0
	PG	A:ANP1102	3.6	154.1	1.0
	O5'	A:ANP1102	3.6	148.9	1.0
	NZ	A:LYS745	4.0	111.6	1.0
	N3B	A:ANP1102	4.0	159.9	1.0
	CB	A:ASP855	4.1	129.3	1.0
	ND2	A:ASN842	4.2	121.9	1.0
	OD1	A:ASP855	4.3	131.4	1.0
	O1A	A:ANP1102	4.3	170.1	1.0
	O2B	A:ANP1102	4.3	162.2	1.0
	NH2	A:ARG858	4.4	162.8	1.0
	O	A:ARG841	4.4	121.0	1.0
	O1G	A:ANP1102	4.4	155.0	1.0
	O3G	A:ANP1102	4.5	151.2	1.0
	CB	A:ASN842	4.6	113.7	1.0
	CA	A:ASN842	4.6	114.2	1.0
	CG2	A:THR854	4.6	96.6	1.0
	C8	A:ANP1102	4.6	102.8	1.0
	C2'	A:ANP1102	4.9	120.5	1.0
	C	A:ARG841	4.9	123.8	1.0

Reference:

T.S.Beyett, C.To, D.E.Heppner, J.Jang, B.H.Shin, G.Gomez, P.A.Janne, N.S.Gray, M.J.Eck. Egfr Kinase (L858R/V948R) in Complex with Allosteric Inhibitor Jbj-09-063 To Be Published.

Page generated: Wed Oct 2 22:06:38 2024

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