Magnesium in PDB 4j03: Crystal Structure of Human Soluble Epoxide Hydrolase Complexed with Fulvestrant

Enzymatic activity of Crystal Structure of Human Soluble Epoxide Hydrolase Complexed with Fulvestrant

All present enzymatic activity of Crystal Structure of Human Soluble Epoxide Hydrolase Complexed with Fulvestrant:
3.1.3.76; 3.3.2.10;

Protein crystallography data

The structure of Crystal Structure of Human Soluble Epoxide Hydrolase Complexed with Fulvestrant, PDB code: 4j03 was solved by C.Morisseau, S.Pakhomova, S.H.Hwang, M.E.Newcomer, B.D.Hammock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	48.51 / 2.92
*Space group*	P 6₅ 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	92.507, 92.507, 243.811, 90.00, 90.00, 120.00
*R / R_free (%)*	18.8 / 25

Other elements in 4j03:

The structure of Crystal Structure of Human Soluble Epoxide Hydrolase Complexed with Fulvestrant also contains other interesting chemical elements:

Fluorine

(F)

5 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Human Soluble Epoxide Hydrolase Complexed with Fulvestrant (pdb code 4j03). 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 Crystal Structure of Human Soluble Epoxide Hydrolase Complexed with Fulvestrant, PDB code: 4j03:

Magnesium binding site 1 out of 1 in 4j03

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Magnesium Binding Sites List in 4j03

Magnesium binding site 1 out of 1 in the Crystal Structure of Human Soluble Epoxide Hydrolase Complexed with Fulvestrant

Mono view

Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Human Soluble Epoxide Hydrolase Complexed with Fulvestrant within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Mg602 b:36.5 occ:1.00	OD2	A:ASP9	1.9	61.1	1.0
	O	A:HOH702	1.9	39.9	1.0
	O	A:HOH701	1.9	35.7	1.0
	OD1	A:ASP185	1.9	52.9	1.0
	O1	A:PO4601	1.9	47.3	1.0
	O	A:ASP11	2.2	62.5	1.0
	CG	A:ASP9	2.8	58.0	1.0
	CG	A:ASP185	3.0	53.0	1.0
	OD1	A:ASP9	3.0	59.6	1.0
	C	A:ASP11	3.3	58.6	1.0
	OD2	A:ASP185	3.5	53.1	1.0
	P	A:PO4601	3.5	50.5	1.0
	CB	A:ASP11	3.9	62.2	1.0
	CA	A:ASP11	4.0	58.3	1.0
	OD1	A:ASP184	4.0	59.8	1.0
	N	A:ASP11	4.1	56.0	1.0
	O4	A:PO4601	4.2	50.5	1.0
	O3	A:PO4601	4.2	47.9	1.0
	CB	A:ASP9	4.2	55.8	1.0
	CB	A:ASP185	4.3	53.6	1.0
	O2	A:PO4601	4.4	49.1	1.0
	N	A:GLY12	4.4	57.1	1.0
	N	A:ASP185	4.5	54.8	1.0
	CG	A:ASP184	4.6	58.8	1.0
	OD2	A:ASP184	4.7	56.6	1.0
	CA	A:GLY12	4.8	57.5	1.0
	C	A:LEU10	4.8	52.8	1.0
	CA	A:ASP185	4.9	55.5	1.0
	OD1	A:ASP11	4.9	65.9	1.0
	CG	A:ASP11	4.9	63.7	1.0
	N	A:LEU10	5.0	52.4	1.0

Reference:

C.Morisseau, S.Pakhomova, S.H.Hwang, M.E.Newcomer, B.D.Hammock. Inhibition of Soluble Epoxide Hydrolase By Fulvestrant and Sulfoxides. Bioorg.Med.Chem.Lett. V. 23 3818 2013.
ISSN: ISSN 0960-894X
PubMed: 23684894
DOI: 10.1016/J.BMCL.2013.04.083

Page generated: Fri Aug 16 17:07:01 2024

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