Cadmium 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 / Rfree (%) 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:

Potassium (K) 1 atom
Chlorine (Cl) 2 atoms

Cadmium Binding Sites:

The binding sites of Cadmium 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 Cadmium atom.
In total only one binding site of Cadmium 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:

Cadmium binding site 1 out of 1 in 6ws1

Go back to Cadmium Binding Sites List in 6ws1
Cadmium 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 Cadmium with other atoms in the Cd 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:Cd304

b:0.4
occ:1.00
CZ A:PHE182 3.7 89.8 1.0
CE2 A:PHE182 3.7 71.9 1.0
ND2 A:ASN39 3.8 84.5 1.0
CE1 A:PHE182 4.2 82.0 1.0
CD2 A:PHE182 4.2 75.0 1.0
NZ A:LYS57 4.4 67.8 1.0
NH1 A:ARG44 4.6 75.4 1.0
OH A:TYR40 4.6 76.0 1.0
CG A:ASN39 4.6 80.5 1.0
CD1 A:PHE182 4.7 80.6 1.0
CG A:PHE182 4.7 82.8 1.0
CB A:ASN39 4.9 81.7 1.0
K A:K305 4.9 0.2 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: Sat Dec 12 08:29:24 2020

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