Chlorine in PDB 7bkw: Endothiapepsin Structure Obtained at 100K with Fragment BTB09871 Bound

All present enzymatic activity of Endothiapepsin Structure Obtained at 100K with Fragment BTB09871 Bound:
3.4.23.22;

The structure of Endothiapepsin Structure Obtained at 100K with Fragment BTB09871 Bound, PDB code: 7bkw was solved by S.Engilberge, C.-Y.Huang, K.M.L.Smith, D.Eris, M.Marsh, M.Wang, J.A.Wojdyla, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.62 / 1.43
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.281, 73.727, 53.042, 90, 109.74, 90
R / Rfree (%)	15.3 / 18.1

The binding sites of Chlorine atom in the Endothiapepsin Structure Obtained at 100K with Fragment BTB09871 Bound (pdb code 7bkw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Endothiapepsin Structure Obtained at 100K with Fragment BTB09871 Bound, PDB code: 7bkw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Endothiapepsin Structure Obtained at 100K with Fragment BTB09871 Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Endothiapepsin Structure Obtained at 100K with Fragment BTB09871 Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1130 b:35.1 occ:1.00 O A:HOH1320 2.8 22.7 1.0 N A:THR100 3.0 15.1 1.0 O A:THR100 3.6 17.1 1.0 CA A:LEU99 3.8 12.4 1.0 CA A:THR100 3.8 12.4 1.0 CD1 A:LEU99 3.8 15.4 1.0 C A:LEU99 3.8 14.1 1.0 CB A:THR100 3.8 15.3 1.0 O A:GLY98 4.0 23.1 1.0 O A:HOH1417 4.0 24.1 0.5 C A:THR100 4.2 16.6 1.0 CB A:SER1 4.2 17.1 1.0 OG1 A:THR100 4.2 18.6 1.0 OG A:SER1 4.5 20.1 1.0 O A:HOH1620 4.5 33.2 1.0 O A:HOH1376 4.5 24.1 1.0 CG A:LEU99 4.7 15.5 1.0 CB A:LEU99 4.7 14.5 1.0 N A:LEU99 4.8 18.3 1.0 C A:GLY98 4.8 22.5 1.0

Chlorine binding site 2 out of 2 in the Endothiapepsin Structure Obtained at 100K with Fragment BTB09871 Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Endothiapepsin Structure Obtained at 100K with Fragment BTB09871 Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1131 b:42.7 occ:1.00 O A:HOH1409 2.6 38.4 1.0 O A:HOH1542 2.7 39.1 1.0 NH2 A:ARG270 3.2 21.0 1.0 O A:GLY267 3.4 15.3 1.0 O A:HOH1629 3.6 49.5 1.0 NH1 A:ARG270 3.6 16.8 1.0 CZ A:ARG270 3.9 18.7 1.0 CA A:SER268 4.1 16.0 1.0 OG1 A:THR200 4.1 14.6 1.0 CB A:THR200 4.2 15.6 1.0 C A:GLY267 4.2 15.1 1.0 N A:SER268 4.5 15.0 1.0 CE2 A:PHE209 4.7 15.6 1.0 CG2 A:THR200 4.7 17.6 1.0 OG A:SER211 4.8 20.6 0.5 CB A:SER268 4.9 21.8 1.0 C A:SER268 5.0 15.4 1.0

S.Engilberge, C.-Y.Huang, K.M.L.Smith, D.Eris, J.A.Wojdyla, V.Olieric, F.Leonarski, M.Sharpe, M.Wang. Endothiapepsin Structure Obtained at 100K with Fragment BTB09871 Bound To Be Published.