Bromine in PDB 4y2v: Structure of Soluble Epoxide Hydrolase in Complex with (4-Bromo-3- Cyclopropyl-1H-Pyrazol-1-Yl)Acetic Acid

Enzymatic activity of Structure of Soluble Epoxide Hydrolase in Complex with (4-Bromo-3- Cyclopropyl-1H-Pyrazol-1-Yl)Acetic Acid

All present enzymatic activity of Structure of Soluble Epoxide Hydrolase in Complex with (4-Bromo-3- Cyclopropyl-1H-Pyrazol-1-Yl)Acetic Acid:
3.3.2.10;

Protein crystallography data

The structure of Structure of Soluble Epoxide Hydrolase in Complex with (4-Bromo-3- Cyclopropyl-1H-Pyrazol-1-Yl)Acetic Acid, PDB code: 4y2v was solved by Y.Amano, T.Yamaguchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	79.85 / 2.40
*Space group*	P 6₅ 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	92.203, 92.203, 244.306, 90.00, 90.00, 120.00
*R / R_free (%)*	20 / 26.2

Other elements in 4y2v:

The structure of Structure of Soluble Epoxide Hydrolase in Complex with (4-Bromo-3- Cyclopropyl-1H-Pyrazol-1-Yl)Acetic Acid also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Structure of Soluble Epoxide Hydrolase in Complex with (4-Bromo-3- Cyclopropyl-1H-Pyrazol-1-Yl)Acetic Acid (pdb code 4y2v). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Structure of Soluble Epoxide Hydrolase in Complex with (4-Bromo-3- Cyclopropyl-1H-Pyrazol-1-Yl)Acetic Acid, PDB code: 4y2v:

Bromine binding site 1 out of 1 in 4y2v

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Bromine Binding Sites List in 4y2v

Bromine binding site 1 out of 1 in the Structure of Soluble Epoxide Hydrolase in Complex with (4-Bromo-3- Cyclopropyl-1H-Pyrazol-1-Yl)Acetic Acid

Mono view

Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of Soluble Epoxide Hydrolase in Complex with (4-Bromo-3- Cyclopropyl-1H-Pyrazol-1-Yl)Acetic Acid within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Br602 b:95.6 occ:1.00	BR1	A:4A5602	0.0	95.6	1.0
	C4	A:4A5602	1.9	68.8	1.0
	C1	A:4A5602	3.0	66.7	1.0
	C5	A:4A5602	3.0	64.7	1.0
	C6	A:4A5602	3.4	58.3	1.0
	C9	A:4A5602	3.8	61.5	1.0
	N2	A:4A5602	4.1	62.8	1.0
	N3	A:4A5602	4.1	63.7	1.0
	CD2	A:LEU408	4.3	19.9	1.0
	CE1	A:TYR383	4.4	25.7	1.0
	CD1	A:TYR383	4.5	25.7	1.0
	SD	A:MET419	4.6	56.1	1.0
	C8	A:4A5602	4.8	53.9	1.0
	CZ	A:TYR383	4.8	26.9	1.0
	CE1	A:PHE267	4.8	20.1	1.0
	CD1	A:PHE267	4.8	21.5	1.0
	CH2	A:TRP525	4.9	16.5	1.0
	CZ2	A:TRP525	4.9	17.4	1.0
	CD2	A:LEU428	4.9	35.6	1.0

Reference:

Y.Amano, E.Tanabe, T.Yamaguchi. Identification of N-Ethylmethylamine As A Novel Scaffold For Inhibitors of Soluble Epoxide Hydrolase By Crystallographic Fragment Screening Bioorg.Med.Chem. V. 23 2310 2015.
ISSN: ESSN 1464-3391
PubMed: 25862210
DOI: 10.1016/J.BMC.2015.03.083

Page generated: Wed Jul 10 23:03:55 2024

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