Chlorine in PDB 5lsa: Human Catechol O-Methyltransferase in Complex with Sam and Dnc at 1.50A

Enzymatic activity of Human Catechol O-Methyltransferase in Complex with Sam and Dnc at 1.50A

All present enzymatic activity of Human Catechol O-Methyltransferase in Complex with Sam and Dnc at 1.50A:
2.1.1.6;

Protein crystallography data

The structure of Human Catechol O-Methyltransferase in Complex with Sam and Dnc at 1.50A, PDB code: 5lsa was solved by A.Ehler, C.Lerner, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	37.88 / 1.50
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	43.021, 61.311, 44.773, 90.00, 118.30, 90.00
*R / R_free (%)*	16.7 / 21

Other elements in 5lsa:

The structure of Human Catechol O-Methyltransferase in Complex with Sam and Dnc at 1.50A also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human Catechol O-Methyltransferase in Complex with Sam and Dnc at 1.50A (pdb code 5lsa). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Human Catechol O-Methyltransferase in Complex with Sam and Dnc at 1.50A, PDB code: 5lsa:

Chlorine binding site 1 out of 1 in 5lsa

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Chlorine Binding Sites List in 5lsa

Chlorine binding site 1 out of 1 in the Human Catechol O-Methyltransferase in Complex with Sam and Dnc at 1.50A

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Catechol O-Methyltransferase in Complex with Sam and Dnc at 1.50A within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl302 b:19.3 occ:1.00	O	A:HOH573	2.7	27.4	1.0
	O	A:HOH456	3.0	11.2	1.0
	N	A:TYR250	3.2	9.8	1.0
	O	A:HOH607	3.3	36.4	1.0
	N	A:ASP94	3.4	13.3	1.0
	N	A:LYS95	3.5	14.7	1.0
	O	A:HOH506	3.8	18.1	1.0
	CD1	A:TYR250	3.8	9.6	1.0
	O	A:HOH444	3.8	15.1	1.0
	CA	A:TYR250	3.9	10.7	1.0
	CG	A:LYS95	4.0	21.8	1.0
	CB	A:LYS95	4.1	16.4	1.0
	C	A:GLY93	4.1	12.5	1.0
	CA	A:GLU249	4.1	8.6	1.0
	CE1	A:TYR250	4.1	9.0	1.0
	CA	A:ASP94	4.2	16.1	1.0
	CA	A:GLY93	4.2	11.7	1.0
	C	A:GLU249	4.2	9.8	1.0
	CB	A:ASP94	4.3	17.8	1.0
	C	A:ASP94	4.3	15.2	1.0
	CA	A:LYS95	4.4	15.1	1.0
	CG	A:TYR250	4.5	9.8	1.0
	CB	A:GLU249	4.6	7.9	1.0
	CD	A:LYS95	4.9	26.5	1.0
	CB	A:TYR250	4.9	10.8	1.0

Reference:

C.Lerner, M.G.Rudolph. Human Catechol O-Methyltransferase in Complex with Sam and Dnc at 1.50A To Be Published.

Page generated: Fri Jul 26 12:08:45 2024

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