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Chlorine in PDB 1avt: Subtilisin Carlsberg D-Para-Chlorophenyl-1-Acetamido Boronic Acid Inhibitor Complex

Enzymatic activity of Subtilisin Carlsberg D-Para-Chlorophenyl-1-Acetamido Boronic Acid Inhibitor Complex

All present enzymatic activity of Subtilisin Carlsberg D-Para-Chlorophenyl-1-Acetamido Boronic Acid Inhibitor Complex:
3.4.21.62;

Protein crystallography data

The structure of Subtilisin Carlsberg D-Para-Chlorophenyl-1-Acetamido Boronic Acid Inhibitor Complex, PDB code: 1avt 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) 8.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 53.000, 55.400, 76.600, 90.00, 90.00, 90.00
R / Rfree (%) 15.7 / 22.6

Other elements in 1avt:

The structure of Subtilisin Carlsberg D-Para-Chlorophenyl-1-Acetamido Boronic Acid Inhibitor Complex also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Subtilisin Carlsberg D-Para-Chlorophenyl-1-Acetamido Boronic Acid Inhibitor Complex (pdb code 1avt). 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 Subtilisin Carlsberg D-Para-Chlorophenyl-1-Acetamido Boronic Acid Inhibitor Complex, PDB code: 1avt:

Chlorine binding site 1 out of 1 in 1avt

Go back to Chlorine Binding Sites List in 1avt
Chlorine binding site 1 out of 1 in the Subtilisin Carlsberg D-Para-Chlorophenyl-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 Subtilisin Carlsberg D-Para-Chlorophenyl-1-Acetamido Boronic Acid Inhibitor Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl221

b:37.6
occ:1.00
CL4 A:CLD221 0.0 37.6 1.0
C4 A:CLD221 1.8 34.3 1.0
C3 A:CLD221 2.7 33.7 1.0
C5 A:CLD221 2.8 33.2 1.0
C A:GLY127 3.3 18.0 1.0
N A:GLY128 3.4 18.5 1.0
O A:GLY127 3.6 20.5 1.0
CA A:GLY127 3.7 15.9 1.0
CA A:GLY166 3.8 12.4 1.0
O A:GLY128 3.8 19.4 1.0
C A:GLY128 3.9 20.0 1.0
CA A:GLY128 3.9 19.2 1.0
C2 A:CLD221 4.0 32.4 1.0
C6 A:CLD221 4.1 31.9 1.0
O A:HOH387 4.4 48.7 1.0
N A:GLY166 4.5 12.1 1.0
CA A:GLY154 4.5 11.1 1.0
N A:GLY127 4.6 12.5 1.0
N A:ALA129 4.6 20.1 1.0
C1 A:CLD221 4.6 30.7 1.0
C A:GLY166 4.6 10.8 1.0
N A:TYR167 4.7 8.9 1.0
O A:TYR167 4.9 11.6 1.0

Reference:

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
Page generated: Sat Dec 12 08:31:41 2020

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