Cadmium in PDB 6ei2: Crystal Structure of Hla-A68 Presenting A C-Terminally Extended Peptide

The structure of Crystal Structure of Hla-A68 Presenting A C-Terminally Extended Peptide, PDB code: 6ei2 was solved by S.Picaud, P.Guillaume, A.C.W.Pike, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, D.Gfeller, P.Filippakopoulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.53 / 1.61
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.061, 80.247, 110.880, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 18.1

The structure of Crystal Structure of Hla-A68 Presenting A C-Terminally Extended Peptide also contains other interesting chemical elements:

Nickel	(Ni)	3 atoms
Cobalt	(Co)	1 atom

The binding sites of Cadmium atom in the Crystal Structure of Hla-A68 Presenting A C-Terminally Extended Peptide (pdb code 6ei2). 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 Hla-A68 Presenting A C-Terminally Extended Peptide, PDB code: 6ei2:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in the Crystal Structure of Hla-A68 Presenting A C-Terminally Extended Peptide


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 Hla-A68 Presenting A C-Terminally Extended Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd304 b:20.5 occ:1.00 OD1 A:ASP54 2.3 17.5 1.0 OD2 A:ASP54 2.3 13.1 1.0 O A:HOH635 2.3 22.4 1.0 O A:HOH647 2.4 22.0 1.0 OE1 A:GLU236 2.4 17.0 1.0 OE2 A:GLU236 2.4 21.7 1.0 O A:HOH662 2.5 21.2 1.0 CG A:ASP54 2.7 15.3 1.0 CD A:GLU236 2.8 22.3 1.0 CB A:ASP54 4.2 14.6 1.0 O A:HOH663 4.2 45.1 1.0 CG A:GLU236 4.3 20.3 1.0 O A:HOH658 4.3 32.7 1.0 N A:ALA235 4.5 13.6 1.0 O A:HOH633 4.5 34.0 1.0 CB A:PRO234 4.5 15.8 1.0 CB A:ALA235 4.6 15.5 1.0 O2 A:EDO301 4.7 31.5 1.0 N A:GLU236 4.7 14.9 1.0 O A:HOH449 4.7 29.9 1.0 N A:ASP54 4.8 13.9 1.0 CA A:ASP54 5.0 13.1 1.0 C A:ASP53 5.0 14.2 1.0

Cadmium binding site 2 out of 2 in the Crystal Structure of Hla-A68 Presenting A C-Terminally Extended Peptide


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 Hla-A68 Presenting A C-Terminally Extended Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd305 b:17.4 occ:1.00 ND1 A:HIS175 2.4 20.0 1.0 OE2 A:GLU178 2.4 15.7 1.0 O A:HOH652 2.4 16.3 1.0 OE1 A:GLU178 2.4 14.4 1.0 CD A:GLU178 2.7 14.0 1.0 CE1 A:HIS175 3.0 21.1 1.0 CG A:HIS175 3.4 18.6 1.0 CB A:HIS175 3.9 15.3 1.0 NE2 A:HIS175 4.2 23.3 1.0 O A:HOH689 4.2 30.1 1.0 CG A:GLU178 4.2 13.9 1.0 CD2 A:HIS175 4.4 23.9 1.0 O A:HOH527 4.6 24.8 1.0 CA A:HIS175 4.9 14.3 1.0

S.Picaud, P.Guillaume, A.C.W.Pike, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, D.Gfeller, P.Filippakopoulos. Crystal Structure of Hla-A68 Presenting A C-Terminally Extended Peptide To Be Published.