Chlorine in PDB 1vgc: Gamma-Chymotrypsin L-Para-Chloro-1-Acetamido Boronic Acid Inhibitor Complex

All present enzymatic activity of Gamma-Chymotrypsin L-Para-Chloro-1-Acetamido Boronic Acid Inhibitor Complex:
3.4.21.1;

The structure of Gamma-Chymotrypsin L-Para-Chloro-1-Acetamido Boronic Acid Inhibitor Complex, PDB code: 1vgc was solved by V.S.Stoll, B.T.Eger, R.C.Hynes, V.Martichonok, J.B.Jones, E.F.Pai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.90
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	69.860, 69.860, 97.150, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 25

The binding sites of Chlorine atom in the Gamma-Chymotrypsin L-Para-Chloro-1-Acetamido Boronic Acid Inhibitor Complex (pdb code 1vgc). 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 Gamma-Chymotrypsin L-Para-Chloro-1-Acetamido Boronic Acid Inhibitor Complex, PDB code: 1vgc:

Chlorine binding site 1 out of 1 in the Gamma-Chymotrypsin L-Para-Chloro-1-Acetamido Boronic Acid Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Gamma-Chymotrypsin L-Para-Chloro-1-Acetamido Boronic Acid Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl358 b:22.9 occ:1.00 CL4 C:V36358 0.0 22.9 1.0 C4 C:V36358 1.8 20.8 1.0 C5 C:V36358 2.7 20.9 1.0 C3 C:V36358 2.8 20.2 1.0 O C:HOH267 3.2 24.0 1.0 CA C:GLY216 3.4 12.4 1.0 O C:HOH249 3.4 12.9 1.0 N C:SER217 3.5 17.4 1.0 OG C:SER189 3.5 16.6 1.0 O C:SER190 3.6 12.3 1.0 C C:GLY216 3.7 12.7 1.0 O C:SER217 3.9 19.1 1.0 C6 C:V36358 4.0 18.8 1.0 C2 C:V36358 4.1 19.7 1.0 N C:GLY216 4.1 9.8 1.0 CA C:CYS220 4.3 18.1 1.0 CA C:GLY226 4.3 14.2 1.0 OG C:SER217 4.4 22.1 1.0 C C:SER190 4.4 11.2 1.0 O C:TRP215 4.5 10.5 1.0 CA C:SER217 4.5 19.4 1.0 C C:TRP215 4.6 10.0 1.0 C1 C:V36358 4.6 19.6 1.0 C C:SER217 4.6 20.9 1.0 O C:GLY216 4.7 13.4 1.0 N C:SER190 4.8 16.6 1.0 O C:HOH272 4.8 13.2 1.0 CB C:SER217 4.8 19.6 1.0 N C:CYS220 4.9 18.5 1.0 CB C:CYS220 4.9 15.4 1.0 SG C:CYS220 4.9 15.6 1.0 CB C:SER189 4.9 15.3 1.0

V.S.Stoll, B.T.Eger, R.C.Hynes, V.Martichonok, J.B.Jones, E.F.Pai. Differences in Binding Modes of Enantiomers of 1-Acetamido Boronic Acid Based Protease Inhibitors: Crystal Structures of Gamma-Chymotrypsin and Subtilisin Carlsberg Complexes. Biochemistry V. 37 451 1998.
ISSN: ISSN 0006-2960
PubMed: 9425066
DOI: 10.1021/BI971166O