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Cadmium in PDB 3tje: Crystal Structure of Fas Receptor Extracellular Domain in Complex with Fab E09

Protein crystallography data

The structure of Crystal Structure of Fas Receptor Extracellular Domain in Complex with Fab E09, PDB code: 3tje was solved by S.Zuger, C.Stirnimann, C.Briand, M.G.Grutter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.09 / 1.93
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 89.490, 166.400, 110.720, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 23.2

Other elements in 3tje:

The structure of Crystal Structure of Fas Receptor Extracellular Domain in Complex with Fab E09 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Cadmium Binding Sites:

The binding sites of Cadmium atom in the Crystal Structure of Fas Receptor Extracellular Domain in Complex with Fab E09 (pdb code 3tje). 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 Fas Receptor Extracellular Domain in Complex with Fab E09, PDB code: 3tje:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in 3tje

Go back to Cadmium Binding Sites List in 3tje
Cadmium binding site 1 out of 2 in the Crystal Structure of Fas Receptor Extracellular Domain in Complex with Fab E09


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 Fas Receptor Extracellular Domain in Complex with Fab E09 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cd157

b:70.0
occ:0.71
HE1 F:HIS95 2.0 77.4 1.0
OD2 F:ASP92 2.8 76.7 1.0
CE1 F:HIS95 2.9 64.5 1.0
ND1 F:HIS95 3.5 64.8 1.0
NE2 F:HIS95 4.0 64.2 1.0
CG F:ASP92 4.0 73.2 1.0
HE2 F:HIS95 4.2 77.0 1.0
HB3 F:ASP92 4.8 82.0 1.0
CG F:HIS95 4.8 63.1 1.0
OD1 F:ASP92 4.8 76.9 1.0
CB F:ASP92 4.9 68.3 1.0
HB2 F:ASP92 4.9 82.0 1.0
HA3 F:GLY94 4.9 86.7 1.0

Cadmium binding site 2 out of 2 in 3tje

Go back to Cadmium Binding Sites List in 3tje
Cadmium binding site 2 out of 2 in the Crystal Structure of Fas Receptor Extracellular Domain in Complex with Fab E09


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 Fas Receptor Extracellular Domain in Complex with Fab E09 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cd158

b:64.2
occ:1.00
NE2 F:HIS126 2.4 65.8 1.0
OD1 F:ASP128 2.4 67.1 1.0
OD2 F:ASP128 2.7 78.6 1.0
CG F:ASP128 2.9 72.2 1.0
HE1 F:HIS126 2.9 78.0 1.0
CE1 F:HIS126 3.0 65.0 1.0
CD2 F:HIS126 3.7 65.5 1.0
HD2 F:HIS126 4.0 78.6 1.0
ND1 F:HIS126 4.3 63.9 1.0
CB F:ASP128 4.4 70.8 1.0
CG F:HIS126 4.6 63.1 1.0
HB3 F:ASP128 4.6 85.0 1.0
O F:HOH449 4.7 71.8 1.0
HB2 F:ASP128 4.8 85.0 1.0
HD1 F:HIS126 5.0 76.6 1.0

Reference:

M.Chodorge, S.Zuger, C.Stirnimann, C.Briand, L.Jermutus, M.G.Grutter, R.R.Minter. A Series of Fas Receptor Agonist Antibodies That Demonstrate An Inverse Correlation Between Affinity and Potency. Cell Death Differ. V. 19 1187 2012.
ISSN: ISSN 1350-9047
PubMed: 22261618
DOI: 10.1038/CDD.2011.208
Page generated: Sat Dec 12 08:23:15 2020

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