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Potassium in PDB 5k01: Crystal Structure of Comt in Complex with 2,7-Dimethyl-3-(1H-Pyrazol- 3-Yl)Imidazo[1,2-A]Pyridine

Enzymatic activity of Crystal Structure of Comt in Complex with 2,7-Dimethyl-3-(1H-Pyrazol- 3-Yl)Imidazo[1,2-A]Pyridine

All present enzymatic activity of Crystal Structure of Comt in Complex with 2,7-Dimethyl-3-(1H-Pyrazol- 3-Yl)Imidazo[1,2-A]Pyridine:
2.1.1.6;

Protein crystallography data

The structure of Crystal Structure of Comt in Complex with 2,7-Dimethyl-3-(1H-Pyrazol- 3-Yl)Imidazo[1,2-A]Pyridine, PDB code: 5k01 was solved by A.Ehler, R.M.Rodriguez-Sarmiento, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.25 / 1.38
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 33.789, 59.788, 108.093, 90.00, 90.00, 90.00
R / Rfree (%) 13.4 / 17.6

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of Comt in Complex with 2,7-Dimethyl-3-(1H-Pyrazol- 3-Yl)Imidazo[1,2-A]Pyridine (pdb code 5k01). 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 Comt in Complex with 2,7-Dimethyl-3-(1H-Pyrazol- 3-Yl)Imidazo[1,2-A]Pyridine, PDB code: 5k01:

Potassium binding site 1 out of 1 in 5k01

Go back to Potassium Binding Sites List in 5k01
Potassium binding site 1 out of 1 in the Crystal Structure of Comt in Complex with 2,7-Dimethyl-3-(1H-Pyrazol- 3-Yl)Imidazo[1,2-A]Pyridine


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 Comt in Complex with 2,7-Dimethyl-3-(1H-Pyrazol- 3-Yl)Imidazo[1,2-A]Pyridine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K302

b:21.8
occ:1.00
 O A:PHE189 2.6 19.9 1.0
O A:SER186 2.6 18.5 1.0
O A:ARG184 2.8 20.5 1.0
O A:HOH574 2.8 47.2 1.0
O A:VAL183 2.9 15.4 1.0
O A:HOH552 3.0 21.9 1.0
HA A:ARG184 3.3 21.3 1.0
C A:ARG184 3.3 18.3 1.0
H A:SER186 3.5 23.9 1.0
C A:SER186 3.6 18.4 1.0
C A:PHE189 3.7 16.5 1.0
N A:SER186 3.8 19.9 1.0
CA A:ARG184 3.8 17.7 1.0
HB2 A:PHE189 3.9 17.7 1.0
H A:PHE189 3.9 17.2 1.0
C A:VAL183 4.0 14.3 1.0
HA A:GLU190 4.0 19.3 0.5
HA A:GLU190 4.1 18.0 0.5
N A:GLY185 4.2 18.9 1.0
HA A:SER187 4.2 24.3 1.0
C A:GLY185 4.2 18.9 1.0
CA A:SER186 4.3 18.0 1.0
N A:ARG184 4.4 15.2 1.0
CA A:PHE189 4.5 14.4 1.0
HB3 A:SER186 4.5 21.4 1.0
CB A:PHE189 4.6 14.7 1.0
N A:PHE189 4.6 14.4 1.0
SG A:CYS191 4.6 17.6 1.0
O A:HOH513 4.6 48.1 1.0
CA A:GLY185 4.6 18.6 1.0
N A:SER187 4.6 18.9 1.0
H A:CYS191 4.6 17.9 1.0
HA2 A:GLY185 4.7 22.3 1.0
N A:GLU190 4.7 14.9 1.0
H A:GLY185 4.8 22.7 1.0
CA A:GLU190 4.8 16.1 0.5
O A:HOH537 4.8 55.6 1.0
HB3 A:PHE189 4.8 17.7 1.0
CA A:GLU190 4.8 15.0 0.5
CA A:SER187 4.8 20.2 1.0
O A:GLY185 4.9 24.0 1.0
CB A:SER186 5.0 17.9 1.0

Reference:

A.Ehler, R.M.Rodriguez-Sarmiento, M.G.Rudolph. Crystal Structure of Comt To Be Published.
Page generated: Mon Aug 12 13:57:51 2024

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