Chlorine in PDB 8ede: Crystal Structure of Covalent Inhibitor 2-Chloro-N'-(N-(4- Chlorophenyl)-N-Methylglycyl)Acetohydrazide Bound to Ubiquitin C- Terminal Hydrolase-L1

Enzymatic activity of Crystal Structure of Covalent Inhibitor 2-Chloro-N'-(N-(4- Chlorophenyl)-N-Methylglycyl)Acetohydrazide Bound to Ubiquitin C- Terminal Hydrolase-L1

All present enzymatic activity of Crystal Structure of Covalent Inhibitor 2-Chloro-N'-(N-(4- Chlorophenyl)-N-Methylglycyl)Acetohydrazide Bound to Ubiquitin C- Terminal Hydrolase-L1:
3.4.19.12;

Protein crystallography data

The structure of Crystal Structure of Covalent Inhibitor 2-Chloro-N'-(N-(4- Chlorophenyl)-N-Methylglycyl)Acetohydrazide Bound to Ubiquitin C- Terminal Hydrolase-L1, PDB code: 8ede was solved by R.Patel, R.Imhoff, D.Flaherty, C.Das, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.25 / 1.80
Space group P 4 21 2
Cell size a, b, c (Å), α, β, γ (°) 110.003, 110.003, 79.609, 90, 90, 90
R / Rfree (%) 19.3 / 22.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Covalent Inhibitor 2-Chloro-N'-(N-(4- Chlorophenyl)-N-Methylglycyl)Acetohydrazide Bound to Ubiquitin C- Terminal Hydrolase-L1 (pdb code 8ede). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Covalent Inhibitor 2-Chloro-N'-(N-(4- Chlorophenyl)-N-Methylglycyl)Acetohydrazide Bound to Ubiquitin C- Terminal Hydrolase-L1, PDB code: 8ede:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 8ede

Go back to Chlorine Binding Sites List in 8ede
Chlorine binding site 1 out of 2 in the Crystal Structure of Covalent Inhibitor 2-Chloro-N'-(N-(4- Chlorophenyl)-N-Methylglycyl)Acetohydrazide Bound to Ubiquitin C- Terminal Hydrolase-L1


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 Covalent Inhibitor 2-Chloro-N'-(N-(4- Chlorophenyl)-N-Methylglycyl)Acetohydrazide Bound to Ubiquitin C- Terminal Hydrolase-L1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:72.0
occ:1.00
 CL01 A:WEU301 0.0 72.0 1.0
C02 A:WEU301 1.8 61.9 1.0
C18 A:WEU301 2.7 57.8 1.0
C03 A:WEU301 2.7 60.9 1.0
H181 A:WEU301 2.8 69.3 1.0
H031 A:WEU301 2.8 73.1 1.0
CD2 A:LEU52 3.5 30.6 1.0
CD2 A:PHE160 3.8 28.5 1.0
CE2 A:PHE160 3.9 37.6 1.0
C04 A:WEU301 4.0 56.6 1.0
C17 A:WEU301 4.0 51.6 1.0
CG A:PHE160 4.2 29.1 1.0
CG A:LEU52 4.2 27.8 1.0
CG1 A:VAL154 4.4 99.0 1.0
CG A:ARG153 4.4 81.9 1.0
CD1 A:LEU52 4.4 25.0 1.0
CZ A:PHE160 4.4 28.4 1.0
CD A:ARG153 4.5 83.2 1.0
C05 A:WEU301 4.6 48.7 1.0
CD1 A:PHE160 4.6 25.0 1.0
CE1 A:PHE160 4.7 23.8 1.0
CB A:PHE160 4.8 23.7 1.0
H171 A:WEU301 4.8 62.0 1.0
H041 A:WEU301 4.8 68.0 1.0

Chlorine binding site 2 out of 2 in 8ede

Go back to Chlorine Binding Sites List in 8ede
Chlorine binding site 2 out of 2 in the Crystal Structure of Covalent Inhibitor 2-Chloro-N'-(N-(4- Chlorophenyl)-N-Methylglycyl)Acetohydrazide Bound to Ubiquitin C- Terminal Hydrolase-L1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Covalent Inhibitor 2-Chloro-N'-(N-(4- Chlorophenyl)-N-Methylglycyl)Acetohydrazide Bound to Ubiquitin C- Terminal Hydrolase-L1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:77.7
occ:1.00
 CL01 B:WEU301 0.0 77.7 1.0
C02 B:WEU301 1.8 72.2 1.0
C03 B:WEU301 2.7 67.4 1.0
C18 B:WEU301 2.8 72.7 1.0
H031 B:WEU301 2.8 81.0 1.0
H181 B:WEU301 2.9 87.3 1.0
CE2 B:PHE160 3.6 35.0 1.0
CD2 B:PHE160 3.8 33.9 1.0
CD B:ARG153 3.8 75.7 1.0
CD2 B:LEU52 3.9 35.1 1.0
C04 B:WEU301 4.0 67.9 1.0
C17 B:WEU301 4.1 67.5 1.0
CZ B:PHE160 4.2 34.7 1.0
NH1 B:ARG153 4.4 83.0 1.0
CG B:PHE160 4.5 30.9 1.0
C05 B:WEU301 4.6 65.3 1.0
NE B:ARG153 4.6 79.8 1.0
H041 B:WEU301 4.7 81.5 1.0
H171 B:WEU301 4.8 81.0 1.0
CZ B:ARG153 4.8 79.3 1.0
CE1 B:PHE160 4.9 32.4 1.0
CG B:ARG153 5.0 77.6 1.0
CG B:LEU52 5.0 29.6 1.0

Reference:

R.Patel, R.Imhoff, D.Flaherty, C.Das. Crystal Structure of Covalent Inhibitor 2-Chloro-N'-(N-(4-Chlorophenyl)-N-Methylglycyl) Acetohydrazide Bound to Ubiquitin C-Terminal Hydrolase-L1 To Be Published.
Page generated: Tue Jul 30 08:59:08 2024

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