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Chlorine 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:

Potassium (K) 1 atom
Sodium (Na) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Comt in Complex with 3-Cyclopropyl-5-Methyl-4- Phenyl-1,2,4-Triazole, PDB code: 5lqj:

Chlorine binding site 1 out of 1 in 5lqj

Go back to Chlorine Binding Sites List in 5lqj
Chlorine 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 Chlorine with other atoms in the Cl 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
B:Cl303

b:73.7
occ:1.00
 N B:TYR68 3.1 62.8 1.0
N B:TYR71 3.4 46.7 1.0
N B:SER72 3.4 51.2 1.0
N B:GLY70 3.5 58.7 1.0
N B:CYS69 3.7 60.7 1.0
CB B:TYR68 3.8 61.4 1.0
CA B:TYR68 3.9 58.1 1.0
C B:GLY70 3.9 49.4 1.0
CB B:SER72 3.9 50.2 1.0
CA B:GLY70 4.0 47.8 1.0
CA B:TYR71 4.1 50.3 1.0
OG B:SER72 4.1 68.2 1.0
C B:ALA67 4.1 65.8 1.0
CB B:TYR71 4.2 49.2 1.0
CA B:ALA67 4.2 54.6 1.0
C B:TYR68 4.2 61.9 1.0
C B:TYR71 4.2 54.6 1.0
CA B:SER72 4.3 45.8 1.0
C B:CYS69 4.4 68.9 1.0
SG B:CYS69 4.6 91.2 1.0
CA B:CYS69 4.6 68.9 1.0
CB B:ALA67 4.7 51.9 1.0
OE2 B:GLU64 4.8 71.7 1.0
O B:GLY70 4.8 47.9 1.0
N B:ALA73 4.9 41.4 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: Sat Jul 12 05:04:01 2025

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