Nickel 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:

Cadmium	(Cd)	2 atoms
Cobalt	(Co)	1 atom

The binding sites of Nickel 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 Nickel atom.
In total 3 binding sites of Nickel where determined in the Crystal Structure of Hla-A68 Presenting A C-Terminally Extended Peptide, PDB code: 6ei2:
Jump to Nickel binding site number: 1; 2; 3;

Nickel binding site 1 out of 3 in the Crystal Structure of Hla-A68 Presenting A C-Terminally Extended Peptide


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni 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:Ni303 b:21.5 occ:1.00 O A:HOH519 1.7 25.4 1.0 NE2 A:HIS169 2.1 18.1 1.0 CD2 A:HIS169 3.1 22.2 1.0 CE1 A:HIS169 3.1 21.7 1.0 CG A:HIS169 4.2 18.0 1.0 ND1 A:HIS169 4.2 19.4 1.0 O A:HOH679 4.2 35.0 1.0 O A:HOH669 4.2 32.2 1.0 NE2 A:GLN165 4.4 18.3 1.0

Nickel binding site 2 out of 3 in the Crystal Structure of Hla-A68 Presenting A C-Terminally Extended Peptide


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni 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:Ni306 b:21.9 occ:1.00 O A:HOH513 1.7 22.1 1.0 NE2 A:HIS27 2.1 17.0 1.0 O A:HOH625 2.2 23.1 1.0 O A:HOH628 2.2 23.9 1.0 N A:GLY25 2.2 25.4 1.0 O A:GLY25 2.3 26.9 1.0 C A:GLY25 2.9 22.1 1.0 CA A:GLY25 3.0 25.6 1.0 CD2 A:HIS27 3.0 19.1 1.0 CE1 A:HIS27 3.2 19.7 1.0 O A:HOH653 3.7 40.6 1.0 OE1 A:GLN204 4.1 29.9 1.0 N A:SER26 4.2 23.7 1.0 CG A:HIS27 4.2 16.9 1.0 ND1 A:HIS27 4.3 17.1 1.0 O A:HOH585 4.3 24.9 1.0 CA A:SER129 4.5 27.9 1.0 CB A:SER129 4.5 30.9 1.0 O A:HOH487 4.6 38.7 1.0 CA A:SER26 4.9 21.8 1.0 O A:SER26 4.9 19.6 1.0 C A:SER26 4.9 18.4 1.0 CD A:GLN204 5.0 24.0 1.0

Nickel binding site 3 out of 3 in the Crystal Structure of Hla-A68 Presenting A C-Terminally Extended Peptide


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Crystal Structure of Hla-A68 Presenting A C-Terminally Extended Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni206 b:46.0 occ:1.00 O1 B:EDO204 1.6 31.7 1.0 O2 B:EDO203 1.9 40.6 1.0 O2 B:EDO204 2.0 47.5 1.0 NE2 B:HIS71 2.2 24.8 1.0 O1 B:EDO203 2.3 65.5 1.0 C1 B:EDO204 2.7 49.3 1.0 C2 B:EDO204 2.8 46.5 1.0 C2 B:EDO203 2.9 63.4 1.0 C1 B:EDO203 3.1 71.0 1.0 CD2 B:HIS71 3.1 27.1 1.0 CE1 B:HIS71 3.1 28.9 1.0 ND1 B:HIS71 4.3 24.6 1.0 CG B:HIS71 4.3 21.6 1.0 O B:HOH385 4.3 43.9 1.0 O B:HOH362 4.4 37.6 1.0 O B:HOH380 4.8 26.1 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.