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Sodium in PDB 5p9r: Humanized Rat Comt in Complex with 5-Chloro-6-(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One

Enzymatic activity of Humanized Rat Comt in Complex with 5-Chloro-6-(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One

All present enzymatic activity of Humanized Rat Comt in Complex with 5-Chloro-6-(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One:
2.1.1.6;

Protein crystallography data

The structure of Humanized Rat Comt in Complex with 5-Chloro-6-(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One, PDB code: 5p9r was solved by A.Ehler, R.Jakob-Roetne, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.13 / 1.70
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 90.267, 159.965, 67.750, 90.00, 90.00, 90.00
R / Rfree (%) 22.4 / 25.4

Other elements in 5p9r:

The structure of Humanized Rat Comt in Complex with 5-Chloro-6-(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One also contains other interesting chemical elements:

Fluorine (F) 2 atoms
Magnesium (Mg) 2 atoms
Chlorine (Cl) 3 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Humanized Rat Comt in Complex with 5-Chloro-6-(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One (pdb code 5p9r). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Humanized Rat Comt in Complex with 5-Chloro-6-(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One, PDB code: 5p9r:

Sodium binding site 1 out of 1 in 5p9r

Go back to Sodium Binding Sites List in 5p9r
Sodium binding site 1 out of 1 in the Humanized Rat Comt in Complex with 5-Chloro-6-(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Humanized Rat Comt in Complex with 5-Chloro-6-(4-Fluorophenyl)-8- Hydroxy-3H-Quinazolin-4-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na305

b:34.5
occ:1.00
 O B:PHE189 2.8 15.4 1.0
O B:HOH492 2.9 17.0 1.0
O B:ARG184 3.0 20.9 1.0
O B:VAL183 3.1 11.5 1.0
O B:HOH512 3.2 22.4 1.0
O B:SER186 3.3 22.6 1.0
C B:ARG184 3.4 19.6 1.0
CA B:ARG184 3.8 15.3 1.0
C B:PHE189 3.8 19.1 1.0
N B:SER186 4.1 18.2 1.0
C B:VAL183 4.1 12.2 1.0
C B:SER186 4.2 21.5 1.0
N B:GLY185 4.2 15.0 1.0
SG B:CYS191 4.3 16.1 1.0
N B:ARG184 4.5 10.1 1.0
C B:GLY185 4.6 21.4 1.0
CA B:GLU190 4.6 15.9 0.5
CA B:GLU190 4.6 15.9 0.5
N B:CYS191 4.6 17.1 1.0
N B:GLU190 4.6 15.3 1.0
CA B:SER186 4.7 18.3 1.0
CA B:GLY185 4.7 15.1 1.0
CA B:PHE189 4.7 12.6 1.0
CB B:PHE189 4.8 14.3 1.0
CB B:CYS191 5.0 13.7 1.0
N B:PHE189 5.0 15.3 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: Tue Dec 15 11:26:12 2020

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