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: Sat Aug 21 12:43:27 2021

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy