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

Protein crystallography data

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

Other elements in 7jqo:

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

Cadmium Binding Sites:

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 7jqo

Go back to Cadmium Binding Sites List in 7jqo
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 7jqo

Go back to Cadmium Binding Sites List in 7jqo
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

Reference:

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.
Page generated: Fri Jul 19 20:01:58 2024

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