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Cadmium in PDB 7jqn: Crystal Structure of the R64M Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4

Protein crystallography data

The structure of Crystal Structure of the R64M Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4, PDB code: 7jqn 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) 62.67 / 1.50
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 104.087, 104.087, 86.988, 90, 90, 120
R / Rfree (%) 12.2 / 16.1

Other elements in 7jqn:

The structure of Crystal Structure of the R64M Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Cadmium Binding Sites:

The binding sites of Cadmium atom in the Crystal Structure of the R64M Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4 (pdb code 7jqn). 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 R64M Mutant of Bauhinia Bauhinioides Kallikrein Inhibitor Complexed with Human Kallikrein 4, PDB code: 7jqn:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in 7jqn

Go back to Cadmium Binding Sites List in 7jqn
Cadmium binding site 1 out of 2 in the Crystal Structure of the R64M 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 R64M 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:18.3
occ:0.70
CD E:CD303 0.0 18.3 0.7
CD E:CD303 1.6 16.1 0.3
NE2 E:HIS25 2.1 21.6 1.0
O E:HOH412 2.4 26.9 1.0
O E:HOH444 2.5 26.5 1.0
CD2 E:HIS25 3.0 23.3 1.0
CE1 E:HIS25 3.2 20.7 1.0
OE2 E:GLU77 3.6 22.5 1.0
CG E:HIS25 4.1 21.8 1.0
ND1 E:HIS25 4.2 21.8 1.0
O E:PRO78 4.7 19.6 1.0
CD E:GLU77 4.9 20.9 1.0

Cadmium binding site 2 out of 2 in 7jqn

Go back to Cadmium Binding Sites List in 7jqn
Cadmium binding site 2 out of 2 in the Crystal Structure of the R64M 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 R64M 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:16.1
occ:0.30
CD E:CD303 0.0 16.1 0.3
O E:HOH444 1.3 26.5 1.0
CD E:CD303 1.6 18.3 0.7
OE2 E:GLU77 2.3 22.5 1.0
O E:HOH412 2.4 26.9 1.0
NE2 E:HIS25 2.9 21.6 1.0
CD E:GLU77 3.5 20.9 1.0
CE1 E:HIS25 3.7 20.7 1.0
OE1 E:GLU77 3.9 19.8 1.0
CD2 E:HIS25 4.1 23.3 1.0
CB E:HIS71 4.4 16.9 1.0
CA E:GLU77 4.6 17.3 1.0
CG E:GLU77 4.7 18.4 1.0
CD E:PRO78 4.8 17.9 1.0
O E:GLN76 4.8 21.0 1.0
CB E:GLU77 4.8 17.8 1.0
ND1 E:HIS25 4.9 21.8 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 20:01:29 2024

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