Potassium in PDB 6ws1: Crystal Structure of Human Phenylethanolamine N-Methyltransferase (Pnmt) in Complex with (2S)-2-Amino-4-((((2R,5R)-5-(6-Amino-9H-Purin- 9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl)Methyl)(3-(7,8-Dichloro-1,2, 3,4-Tetrahydroisoquinolin-4-Yl)Propyl)Amino)Butanoic Acid and Adohcy (Sah)

Enzymatic activity of Crystal Structure of Human Phenylethanolamine N-Methyltransferase (Pnmt) in Complex with (2S)-2-Amino-4-((((2R,5R)-5-(6-Amino-9H-Purin- 9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl)Methyl)(3-(7,8-Dichloro-1,2, 3,4-Tetrahydroisoquinolin-4-Yl)Propyl)Amino)Butanoic Acid and Adohcy (Sah)

All present enzymatic activity of Crystal Structure of Human Phenylethanolamine N-Methyltransferase (Pnmt) in Complex with (2S)-2-Amino-4-((((2R,5R)-5-(6-Amino-9H-Purin- 9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl)Methyl)(3-(7,8-Dichloro-1,2, 3,4-Tetrahydroisoquinolin-4-Yl)Propyl)Amino)Butanoic Acid and Adohcy (Sah):
2.1.1.28;

Protein crystallography data

The structure of Crystal Structure of Human Phenylethanolamine N-Methyltransferase (Pnmt) in Complex with (2S)-2-Amino-4-((((2R,5R)-5-(6-Amino-9H-Purin- 9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl)Methyl)(3-(7,8-Dichloro-1,2, 3,4-Tetrahydroisoquinolin-4-Yl)Propyl)Amino)Butanoic Acid and Adohcy (Sah), PDB code: 6ws1 was solved by R.K.Harijan, N.Mahmoodi, J.B.Bonanno, S.C.Almo, V.L.Schramm, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	66.48 / 2.76
*Space group*	P 4₃ 2₁ 2
*Cell size a, b, c (Å), α, β, γ (°)*	93.886, 93.886, 188.272, 90.00, 90.00, 90.00
*R / R_free (%)*	22.6 / 27.4

Other elements in 6ws1:

The structure of Crystal Structure of Human Phenylethanolamine N-Methyltransferase (Pnmt) in Complex with (2S)-2-Amino-4-((((2R,5R)-5-(6-Amino-9H-Purin- 9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl)Methyl)(3-(7,8-Dichloro-1,2, 3,4-Tetrahydroisoquinolin-4-Yl)Propyl)Amino)Butanoic Acid and Adohcy (Sah) also contains other interesting chemical elements:

Cadmium	(Cd)	1 atom
Chlorine	(Cl)	2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of Human Phenylethanolamine N-Methyltransferase (Pnmt) in Complex with (2S)-2-Amino-4-((((2R,5R)-5-(6-Amino-9H-Purin- 9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl)Methyl)(3-(7,8-Dichloro-1,2, 3,4-Tetrahydroisoquinolin-4-Yl)Propyl)Amino)Butanoic Acid and Adohcy (Sah) (pdb code 6ws1). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total only one binding site of Potassium was determined in the Crystal Structure of Human Phenylethanolamine N-Methyltransferase (Pnmt) in Complex with (2S)-2-Amino-4-((((2R,5R)-5-(6-Amino-9H-Purin- 9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl)Methyl)(3-(7,8-Dichloro-1,2, 3,4-Tetrahydroisoquinolin-4-Yl)Propyl)Amino)Butanoic Acid and Adohcy (Sah), PDB code: 6ws1:

Potassium binding site 1 out of 1 in 6ws1

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Potassium Binding Sites List in 6ws1

Potassium binding site 1 out of 1 in the Crystal Structure of Human Phenylethanolamine N-Methyltransferase (Pnmt) in Complex with (2S)-2-Amino-4-((((2R,5R)-5-(6-Amino-9H-Purin- 9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl)Methyl)(3-(7,8-Dichloro-1,2, 3,4-Tetrahydroisoquinolin-4-Yl)Propyl)Amino)Butanoic Acid and Adohcy (Sah)

Mono view

Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of Human Phenylethanolamine N-Methyltransferase (Pnmt) in Complex with (2S)-2-Amino-4-((((2R,5R)-5-(6-Amino-9H-Purin- 9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl)Methyl)(3-(7,8-Dichloro-1,2, 3,4-Tetrahydroisoquinolin-4-Yl)Propyl)Amino)Butanoic Acid and Adohcy (Sah) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:K305 b:0.2 occ:1.00	OE1	A:GLU219	3.1	92.1	1.0
	OE2	A:GLU219	3.6	82.4	1.0
	CD	A:GLU219	3.8	85.8	1.0
	CG	A:TYR222	3.9	85.5	1.0
	CD1	A:TYR222	3.9	87.7	1.0
	CE1	A:TYR222	4.2	82.8	1.0
	CD2	A:TYR222	4.2	83.8	1.0
	CB	A:TYR222	4.4	78.7	1.0
	CD2	A:PHE182	4.4	75.0	1.0
	CZ	A:TYR222	4.5	85.1	1.0
	CE2	A:TYR222	4.5	88.5	1.0
	OD2	A:ASP267	4.6	86.8	1.0
	CB	A:PHE182	4.8	85.9	1.0
	OH	A:TYR35	4.8	80.1	1.0
	CE1	A:TYR35	4.8	84.2	1.0
	CG	A:PHE182	4.9	82.8	1.0
	CD	A:CD304	4.9	0.4	1.0
	ND2	A:ASN39	4.9	84.5	1.0

Reference:

N.Mahmoodi, R.K.Harijan, V.L.Schramm. Transition-State Analogues of Phenylethanolaminen-Methyltransferase. J.Am.Chem.Soc. V. 142 14222 2020.
ISSN: ESSN 1520-5126
PubMed: 32702980
DOI: 10.1021/JACS.0C05446

Page generated: Mon Aug 12 18:17:38 2024

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