Chlorine in PDB 7jqn: Crystal Structure of the R64M Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4

The structure of Crystal Structure of the R64M Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4, PDB code: 7jqn was solved by M.Li, A.Wlodawer, A.Gustchina, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.67 / 1.50
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	104.087, 104.087, 86.988, 90, 90, 120
R / Rfree (%)	12.2 / 16.1

The structure of Crystal Structure of the R64M Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4 also contains other interesting chemical elements:

Cadmium

(Cd)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the R64M Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4 (pdb code 7jqn). 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 Crystal Structure of the R64M Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4, PDB code: 7jqn:

Chlorine binding site 1 out of 1 in the Crystal Structure of the R64M Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4


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 the R64M Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4 within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl803 b:51.2 occ:1.00 O I:HOH1156 1.8 60.2 1.0 O I:HOH969 1.8 44.5 1.0 NH1 I:ARG160 2.7 51.6 1.0 O I:HOH1106 3.2 45.1 1.0 NE I:ARG160 3.4 31.9 1.0 CZ I:ARG160 3.5 36.6 1.0 CB I:THR7 3.9 18.1 1.0 OG1 I:THR7 3.9 20.2 1.0 CG2 I:THR7 4.0 20.7 1.0 NZ I:LYS158 4.0 37.8 1.0 CE I:LYS158 4.2 28.0 1.0 O I:HOH1086 4.4 70.3 1.0 O I:HOH1054 4.6 57.1 1.0 O I:HOH1138 4.7 37.9 1.0 CD I:ARG160 4.7 22.9 1.0 NH2 I:ARG160 4.7 37.2 1.0 CG I:ARG160 4.9 17.7 1.0 CD I:LYS158 4.9 26.3 1.0

M.Li, J.Srp, M.Mares, A.Gustchina, A.Wlodawer. Structural Studies of the Complexes of Kallikrein 4 (KLK4) with the Wild-Type and Mutated Forms of the Knitz-Type Inhibitor Bbki To Be Published.