Chlorine in PDB 1ok0: Crystal Structure of Tendamistat

The structure of Crystal Structure of Tendamistat, PDB code: 1ok0 was solved by V.Koenig, L.Vertesy, T.R.Schneider, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 0.93
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	25.680, 40.780, 60.950, 90.00, 90.00, 90.00
R / Rfree (%)	10.3 / 13

The binding sites of Chlorine atom in the Crystal Structure of Tendamistat (pdb code 1ok0). 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 Tendamistat, PDB code: 1ok0:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Tendamistat


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 Tendamistat within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:6.9 occ:0.76 CL A:CL701 0.0 6.9 0.8 CL A:CL701 0.8 8.1 0.2 O A:HOH2159 3.0 16.5 0.8 N A:THR3 3.2 6.3 0.2 N A:THR3 3.2 6.6 0.8 CB A:THR2 3.6 7.3 1.0 CA A:THR2 3.6 6.7 1.0 O A:HOH2156 3.6 10.0 0.2 CG1 A:VAL4 3.9 12.4 1.0 CG2 A:THR2 3.9 8.3 1.0 OG1 A:THR3 4.0 6.3 0.8 C A:THR2 4.0 6.5 1.0 N A:VAL4 4.0 7.4 1.0 C3 A:GOL601 4.0 12.2 0.8 O A:HOH2013 4.1 18.6 1.0 C A:THR3 4.1 6.2 0.8 CA A:THR3 4.1 6.7 0.2 CA A:THR3 4.2 6.3 0.8 C A:THR3 4.2 6.0 0.2 CB A:THR3 4.6 8.1 0.2 O A:HOH2157 4.6 16.5 0.2 O3 A:GOL601 4.7 8.8 0.8 CA A:VAL4 4.7 7.6 1.0 CB A:THR3 4.7 6.3 0.8 O A:THR3 4.8 7.8 0.8 OG1 A:THR3 4.8 12.1 0.2 O2 A:GOL601 4.9 17.5 0.8 CB A:VAL4 4.9 9.9 1.0 OG1 A:THR2 4.9 8.4 1.0 C2 A:GOL601 4.9 14.7 0.8 N A:THR2 5.0 7.2 1.0 O A:THR3 5.0 5.3 0.2 O A:ASP1 5.0 17.2 0.4

Chlorine binding site 2 out of 2 in the Crystal Structure of Tendamistat


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 Tendamistat within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:8.1 occ:0.24 CL A:CL701 0.0 8.1 0.2 CL A:CL701 0.8 6.9 0.8 O A:HOH2159 2.4 16.5 0.8 O A:HOH2156 2.9 10.0 0.2 N A:THR3 3.3 6.3 0.2 N A:THR3 3.3 6.6 0.8 O A:HOH2013 3.5 18.6 1.0 C3 A:GOL601 3.5 12.2 0.8 OG1 A:THR3 3.6 6.3 0.8 CA A:THR2 3.8 6.7 1.0 CB A:THR2 4.0 7.3 1.0 C A:THR2 4.1 6.5 1.0 O2 A:GOL601 4.2 17.5 0.8 CA A:THR3 4.2 6.7 0.2 CA A:THR3 4.3 6.3 0.8 O3 A:GOL601 4.3 8.8 0.8 CG2 A:THR2 4.3 8.3 1.0 C2 A:GOL601 4.3 14.7 0.8 O A:HOH2157 4.4 16.5 0.2 C A:THR3 4.4 6.2 0.8 CB A:THR3 4.5 8.1 0.2 N A:VAL4 4.5 7.4 1.0 C A:THR3 4.5 6.0 0.2 OG1 A:THR3 4.5 12.1 0.2 CB A:THR3 4.6 6.3 0.8 CG1 A:VAL4 4.7 12.4 1.0 O A:HOH2155 4.7 8.8 0.2 O A:ASP1 4.7 17.2 0.4 O A:ASP1 4.7 19.6 0.6 O A:THR3 4.9 7.8 0.8

V.Koenig, L.Vertesy, T.R.Schneider. Crystal Structure of the Alpha-Amylase Inhibitor Tendamistat at 0.93 A Acta Crystallogr.,Sect.D V. 59 1737 2003.
ISSN: ISSN 0907-4449
PubMed: 14501112
DOI: 10.1107/S0907444903015828