Chlorine in PDB 7jqv: Crystal Structure of the R64F Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4

The structure of Crystal Structure of the R64F Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4, PDB code: 7jqv 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)	30.00 / 2.10
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	103.79, 103.79, 86.005, 90, 90, 120
R / Rfree (%)	14.5 / 19.7

The binding sites of Chlorine atom in the Crystal Structure of the R64F Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4 (pdb code 7jqv). 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 the R64F Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4, PDB code: 7jqv:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the R64F 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 R64F Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4 within 5.0Å range: probe atom residue distance (Å) B Occ I:Cl802 b:77.7 occ:1.00 O I:HOH1028 1.7 54.8 1.0 O I:HOH1095 1.9 55.9 1.0 NH1 I:ARG160 2.3 65.5 1.0 O I:HOH1040 2.8 68.7 1.0 CZ I:ARG160 3.2 68.0 1.0 NE I:ARG160 3.3 55.9 1.0 CE I:LYS158 3.9 62.6 1.0 CB I:THR7 4.0 38.8 1.0 CG2 I:THR7 4.0 36.6 1.0 NZ I:LYS158 4.0 60.4 1.0 OG1 I:THR7 4.0 37.9 1.0 NH2 I:ARG160 4.4 54.9 1.0 O I:HOH1049 4.4 79.4 1.0 CD I:ARG160 4.6 43.6 1.0 CD I:LYS158 4.7 47.0 1.0 CG I:ARG160 4.8 40.1 1.0 O I:HOH1000 5.0 62.9 1.0 O I:HOH1096 5.0 58.0 1.0 CB I:ARG160 5.0 33.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the R64F 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 2 of Crystal Structure of the R64F 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:80.6 occ:1.00 O I:HOH989 3.5 59.6 1.0 O I:HOH1015 4.7 55.7 1.0 OD1 I:ASN38 4.9 78.3 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.