Cadmium in PDB 7jod: Crytsal Structure of Bbki Complexed with Human Kallikrein 4

The structure of Crytsal Structure of Bbki Complexed with Human Kallikrein 4, PDB code: 7jod 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)	39.00 / 1.33
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	104.185, 104.185, 87.013, 90, 90, 120
R / Rfree (%)	11.4 / 13.3

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

Chlorine

(Cl)

2 atoms

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

Cadmium binding site 1 out of 2 in the Crytsal 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 Crytsal Structure of Bbki Complexed with Human Kallikrein 4 within 5.0Å range: probe atom residue distance (Å) B Occ E:Cd303 b:11.0 occ:0.50 CD E:CD304 1.7 12.1 0.5 O E:HOH490 1.9 37.2 1.0 OE2 E:GLU77 2.3 15.1 1.0 O E:HOH532 2.3 28.5 1.0 NE2 E:HIS25 2.7 24.7 1.0 CD E:GLU77 3.4 14.1 1.0 CE1 E:HIS25 3.5 24.5 1.0 CD2 E:HIS25 3.7 20.3 1.0 OE1 E:GLU77 3.8 13.9 1.0 CB E:HIS71 4.4 10.8 1.0 CG E:GLU77 4.6 13.3 1.0 CA E:GLU77 4.6 10.9 1.0 ND1 E:HIS25 4.7 22.2 1.0 CD E:PRO78 4.8 13.0 1.0 CB E:GLU77 4.8 12.5 1.0 CG E:HIS25 4.8 21.7 1.0 O E:GLN76 4.9 15.3 1.0

Cadmium binding site 2 out of 2 in the Crytsal 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 Crytsal Structure of Bbki Complexed with Human Kallikrein 4 within 5.0Å range: probe atom residue distance (Å) B Occ E:Cd304 b:12.1 occ:0.50 CD E:CD303 1.7 11.0 0.5 NE2 E:HIS25 2.0 24.7 1.0 O E:HOH532 2.1 28.5 1.0 CD2 E:HIS25 2.7 20.3 1.0 CE1 E:HIS25 3.0 24.5 1.0 O E:HOH490 3.3 37.2 1.0 OE2 E:GLU77 3.6 15.1 1.0 CG E:HIS25 3.8 21.7 1.0 ND1 E:HIS25 4.0 22.2 1.0 O E:PRO78 4.6 12.9 1.0 CD E:GLU77 4.9 14.1 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.