Cadmium in PDB 7jow: Crystal Structure of Bbki Complexed with Human Kallikrein 4

The structure of Crystal Structure of Bbki Complexed with Human Kallikrein 4, PDB code: 7jow 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)	50.01 / 1.91
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	100.495, 100.495, 167.298, 90, 90, 120
R / Rfree (%)	17.4 / 20.8

The structure of Crystal Structure of Bbki Complexed with Human Kallikrein 4 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Cadmium atom in the Crystal Structure of Bbki Complexed with Human Kallikrein 4 (pdb code 7jow). 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 Bbki Complexed with Human Kallikrein 4, PDB code: 7jow:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in the Crystal Structure of Bbki 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 Bbki Complexed with Human Kallikrein 4 within 5.0Å range: probe atom residue distance (Å) B Occ E:Cd501 b:12.6 occ:0.50 CD E:CD501 0.0 12.6 0.5 CD E:CD501 1.5 25.2 0.5 O E:HOH669 2.2 25.2 1.0 OE2 E:GLU77 2.5 24.9 1.0 NE2 E:HIS25 2.6 21.7 1.0 CE1 E:HIS25 3.3 21.1 1.0 CD E:GLU77 3.6 24.5 1.0 CD2 E:HIS25 3.7 22.4 1.0 OE1 E:GLU77 4.1 25.2 1.0 CB E:HIS71 4.5 20.2 1.0 ND1 E:HIS25 4.6 20.9 1.0 CA E:GLU77 4.7 24.8 1.0 CG E:HIS25 4.8 22.0 1.0 CG E:GLU77 4.8 23.4 1.0 CB E:GLU77 4.9 23.4 1.0 CD E:PRO78 4.9 25.7 1.0

Cadmium binding site 2 out of 2 in the Crystal Structure of Bbki 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 Bbki Complexed with Human Kallikrein 4 within 5.0Å range: probe atom residue distance (Å) B Occ E:Cd501 b:25.2 occ:0.50 CD E:CD501 0.0 25.2 0.5 CD E:CD501 1.5 12.6 0.5 O E:HOH669 1.7 25.2 1.0 NE2 E:HIS25 2.2 21.7 1.0 CD2 E:HIS25 3.0 22.4 1.0 CE1 E:HIS25 3.1 21.1 1.0 OE2 E:GLU77 3.7 24.9 1.0 CG E:HIS25 4.1 22.0 1.0 ND1 E:HIS25 4.2 20.9 1.0 O E:PRO78 4.3 25.0 1.0 CG2 E:THR117 4.9 27.3 1.0 CD E:GLU77 4.9 24.5 1.0 O E:HOH632 5.0 25.0 1.0

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