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Bromine 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:

Magnesium (Mg) 1 atom

Bromine Binding Sites:

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

Bromine binding site 1 out of 1 in 5p9u

Go back to Bromine Binding Sites List in 5p9u
Bromine 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 Bromine with other atoms in the Br 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:Br303

b:29.5
occ:1.00
BR5 A:7JL303 0.0 29.5 1.0
C2 A:7JL303 1.9 23.4 1.0
C3 A:7JL303 2.8 22.4 1.0
C1 A:7JL303 2.9 19.4 1.0
CH2 A:TRP38 3.7 28.6 1.0
CG A:PRO174 3.8 24.6 1.0
C4 A:7JL303 4.0 20.2 1.0
CD A:PRO174 4.1 23.0 1.0
CZ2 A:TRP38 4.1 32.3 1.0
C7 A:7JL303 4.2 21.5 1.0
C8 A:7JL303 4.7 17.1 1.0
CZ3 A:TRP38 4.7 32.8 1.0
CD1 A:LEU198 4.8 27.5 1.0
CD2 A:LEU198 4.8 29.1 1.0
N A:PRO174 5.0 21.7 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: Thu Jul 11 00:38:15 2024

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