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Magnesium in PDB 5p9u: Humanized Rat Catechol O-Methyltransferase in Complex with Sah and 6- Bromo-8-Hydroxy-3H-Quinazolin-4-One

Enzymatic activity of Humanized Rat Catechol O-Methyltransferase in Complex with Sah and 6- Bromo-8-Hydroxy-3H-Quinazolin-4-One

All present enzymatic activity of Humanized Rat Catechol O-Methyltransferase in Complex with Sah and 6- Bromo-8-Hydroxy-3H-Quinazolin-4-One:
2.1.1.6;

Protein crystallography data

The structure of Humanized Rat Catechol O-Methyltransferase in Complex with Sah and 6- Bromo-8-Hydroxy-3H-Quinazolin-4-One, PDB code: 5p9u was solved by A.Ehler, B.Buettelmann, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.67 / 1.42
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 50.420, 50.420, 168.262, 90.00, 90.00, 120.00
R / Rfree (%) 20.9 / 24.3

Other elements in 5p9u:

The structure of Humanized Rat Catechol O-Methyltransferase in Complex with Sah and 6- Bromo-8-Hydroxy-3H-Quinazolin-4-One also contains other interesting chemical elements:

Bromine (Br) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Humanized Rat Catechol O-Methyltransferase in Complex with Sah and 6- Bromo-8-Hydroxy-3H-Quinazolin-4-One (pdb code 5p9u). 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 Humanized Rat Catechol O-Methyltransferase in Complex with Sah and 6- Bromo-8-Hydroxy-3H-Quinazolin-4-One, PDB code: 5p9u:

Magnesium binding site 1 out of 1 in 5p9u

Go back to Magnesium Binding Sites List in 5p9u
Magnesium binding site 1 out of 1 in the Humanized Rat Catechol O-Methyltransferase in Complex with Sah and 6- Bromo-8-Hydroxy-3H-Quinazolin-4-One


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Humanized Rat Catechol O-Methyltransferase in Complex with Sah and 6- Bromo-8-Hydroxy-3H-Quinazolin-4-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg301

b:18.4
occ:1.00
 OD1 A:ASP141 2.0 18.0 1.0
O A:HOH440 2.0 17.9 1.0
OD2 A:ASP169 2.0 18.7 1.0
O6 A:7JL303 2.2 19.9 1.0
OD1 A:ASN170 2.2 16.8 1.0
N9 A:7JL303 2.2 19.0 1.0
C8 A:7JL303 2.9 17.1 1.0
CG A:ASP141 3.0 17.1 1.0
C4 A:7JL303 3.0 20.2 1.0
CG A:ASN170 3.1 15.7 1.0
CG A:ASP169 3.2 18.0 1.0
C10 A:7JL303 3.2 19.3 1.0
OD2 A:ASP141 3.3 17.6 1.0
ND2 A:ASN170 3.4 19.2 1.0
CB A:ASP169 3.7 17.9 1.0
OD1 A:ASP169 4.1 17.0 1.0
O A:HOH449 4.2 20.0 1.0
O A:MET40 4.2 20.7 1.0
OE2 A:GLU199 4.2 21.7 1.0
C7 A:7JL303 4.3 21.5 1.0
C3 A:7JL303 4.3 22.4 1.0
CB A:ASP141 4.4 16.4 1.0
CB A:ASN170 4.4 17.3 1.0
N11 A:7JL303 4.5 20.5 1.0
NZ A:LYS46 4.7 20.8 1.0
O A:ASP141 4.8 19.7 1.0
OE1 A:GLU199 4.8 26.4 1.0
CD A:GLU199 4.9 24.2 1.0
C12 A:7JL303 4.9 20.7 1.0
CA A:ASP141 4.9 14.9 1.0
CA A:VAL42 4.9 20.8 1.0
CA A:ASP169 5.0 15.7 1.0

Reference:

C.Lerner, R.Jakob-Roetne, K.Groebke-Zbinden, B.Buettelmann, M.G.Rudolph. Crystal Structure of A Comt Complex To Be Published.
Page generated: Mon Dec 14 21:03:40 2020

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