Cadmium in PDB 7jqo: Crystal Structure of the R64D Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4

The structure of Crystal Structure of the R64D Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4, PDB code: 7jqo 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)	34.00 / 1.60
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	103.804, 103.804, 86.85, 90, 90, 120
R / Rfree (%)	11.2 / 15.2

The structure of Crystal Structure of the R64D Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Cadmium atom in the Crystal Structure of the R64D Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4 (pdb code 7jqo). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 2 binding sites of Cadmium where determined in the Crystal Structure of the R64D Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4, PDB code: 7jqo:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in the Crystal Structure of the R64D Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Crystal Structure of the R64D Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4 within 5.0Å range: probe atom residue distance (Å) B Occ E:Cd303 b:17.1 occ:0.60 CD E:CD303 0.0 17.1 0.6 CD E:CD303 1.6 9.8 0.3 NE2 E:HIS25 2.0 21.7 1.0 O E:HOH468 2.1 31.5 1.0 O E:HOH432 2.7 30.9 1.0 CD2 E:HIS25 2.7 23.0 1.0 CE1 E:HIS25 3.1 20.5 1.0 OE2 E:GLU77 3.6 20.0 1.0 CG E:HIS25 3.9 20.1 1.0 ND1 E:HIS25 4.0 20.4 1.0 O E:PRO78 4.7 17.7 1.0 CD E:GLU77 4.8 17.0 1.0

Cadmium binding site 2 out of 2 in the Crystal Structure of the R64D Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Crystal Structure of the R64D Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4 within 5.0Å range: probe atom residue distance (Å) B Occ E:Cd303 b:9.8 occ:0.30 CD E:CD303 0.0 9.8 0.3 O E:HOH432 1.4 30.9 1.0 CD E:CD303 1.6 17.1 0.6 O E:HOH468 2.3 31.5 1.0 OE2 E:GLU77 2.3 20.0 1.0 NE2 E:HIS25 2.6 21.7 1.0 CD E:GLU77 3.4 17.0 1.0 CE1 E:HIS25 3.5 20.5 1.0 CD2 E:HIS25 3.7 23.0 1.0 OE1 E:GLU77 3.9 17.9 1.0 CB E:HIS71 4.4 13.6 1.0 CA E:GLU77 4.6 13.5 1.0 CG E:GLU77 4.7 15.6 1.0 ND1 E:HIS25 4.7 20.4 1.0 CD E:PRO78 4.8 14.3 1.0 CB E:GLU77 4.8 13.5 1.0 CG E:HIS25 4.8 20.1 1.0 O E:GLN76 4.8 17.8 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.