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Potassium in PDB 5lqj: Crystal Structure of Comt in Complex with 3-Cyclopropyl-5-Methyl-4- Phenyl-1,2,4-Triazole

Enzymatic activity of Crystal Structure of Comt in Complex with 3-Cyclopropyl-5-Methyl-4- Phenyl-1,2,4-Triazole

All present enzymatic activity of Crystal Structure of Comt in Complex with 3-Cyclopropyl-5-Methyl-4- Phenyl-1,2,4-Triazole:
2.1.1.6;

Protein crystallography data

The structure of Crystal Structure of Comt in Complex with 3-Cyclopropyl-5-Methyl-4- Phenyl-1,2,4-Triazole, PDB code: 5lqj was solved by A.Ehler, C.Lerner, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.20 / 2.41
Space group P 4 21 2
Cell size a, b, c (Å), α, β, γ (°) 170.184, 170.184, 68.879, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 23.7

Other elements in 5lqj:

The structure of Crystal Structure of Comt in Complex with 3-Cyclopropyl-5-Methyl-4- Phenyl-1,2,4-Triazole also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Sodium (Na) 3 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of Comt in Complex with 3-Cyclopropyl-5-Methyl-4- Phenyl-1,2,4-Triazole (pdb code 5lqj). 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 3-Cyclopropyl-5-Methyl-4- Phenyl-1,2,4-Triazole, PDB code: 5lqj:

Potassium binding site 1 out of 1 in 5lqj

Go back to Potassium Binding Sites List in 5lqj
Potassium binding site 1 out of 1 in the Crystal Structure of Comt in Complex with 3-Cyclopropyl-5-Methyl-4- Phenyl-1,2,4-Triazole


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 3-Cyclopropyl-5-Methyl-4- Phenyl-1,2,4-Triazole within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K301

b:50.2
occ:1.00
O D:PHE189 2.6 38.6 1.0
O D:SER186 2.7 50.9 1.0
O D:ARG184 2.8 37.7 1.0
O D:HOH427 2.9 34.6 1.0
O D:VAL183 2.9 45.0 1.0
C D:ARG184 3.4 42.5 1.0
C D:PHE189 3.7 45.5 1.0
C D:SER186 3.7 47.5 1.0
CA D:ARG184 3.8 36.5 1.0
N D:SER186 3.9 36.3 1.0
C D:VAL183 4.0 40.9 1.0
N D:GLY185 4.3 39.9 1.0
C D:GLY185 4.3 39.3 1.0
N D:ARG184 4.4 36.0 1.0
SG D:CYS191 4.4 54.3 1.0
CA D:SER186 4.4 44.0 1.0
CA D:PHE189 4.5 38.9 1.0
CB D:PHE189 4.5 34.6 1.0
N D:GLU190 4.6 39.7 1.0
N D:PHE189 4.6 44.0 1.0
CA D:GLU190 4.7 47.2 1.0
CA D:GLY185 4.7 33.0 1.0
OE2 D:GLU190 4.7 0.7 1.0
N D:SER187 4.7 40.2 1.0
CA D:SER187 5.0 47.8 1.0
N D:CYS191 5.0 45.1 1.0
O D:GLY185 5.0 46.2 1.0

Reference:

C.Lerner, M.G.Rudolph. Crystal Structure of Comt in Complex with 3-Cyclopropyl-5-Methyl-4-Phenyl-1,2,4-Triazole To Be Published.
Page generated: Mon Aug 12 14:14:56 2024

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