Nickel in PDB 4ppt: Engineered Dual Specific Vhh Antibody in Complex with A Nickel (II) Ion

The structure of Engineered Dual Specific Vhh Antibody in Complex with A Nickel (II) Ion, PDB code: 4ppt was solved by S.W.Fanning, R.Walter, J.R.Horn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.64 / 1.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	53.824, 61.926, 66.319, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 22.4

The binding sites of Nickel atom in the Engineered Dual Specific Vhh Antibody in Complex with A Nickel (II) Ion (pdb code 4ppt). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Engineered Dual Specific Vhh Antibody in Complex with A Nickel (II) Ion, PDB code: 4ppt:

Nickel binding site 1 out of 1 in the Engineered Dual Specific Vhh Antibody in Complex with A Nickel (II) Ion


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Engineered Dual Specific Vhh Antibody in Complex with A Nickel (II) Ion within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni201 b:24.5 occ:1.00 OE1 A:GLN1 2.0 37.4 1.0 NE2 A:HIS29 2.0 34.8 1.0 NE2 A:HIS110 2.1 16.2 1.0 O A:HOH358 2.2 30.1 1.0 O A:HOH348 2.2 31.3 1.0 CE1 A:HIS110 2.9 20.4 1.0 CD2 A:HIS29 3.0 36.8 1.0 CE1 A:HIS29 3.0 24.4 1.0 CD A:GLN1 3.0 57.2 1.0 CD2 A:HIS110 3.2 16.9 1.0 NE2 A:GLN1 3.5 51.8 1.0 O A:HOH373 4.1 30.9 1.0 ND1 A:HIS29 4.1 30.0 1.0 ND1 A:HIS110 4.1 18.6 1.0 CG A:HIS29 4.2 31.7 1.0 N A:GLN1 4.2 58.1 1.0 CG A:HIS110 4.3 15.4 1.0 CG A:GLN1 4.3 56.7 1.0 CB A:GLN1 5.0 57.1 1.0

S.W.Fanning, R.Walter, J.R.Horn. Structural Basis of An Engineered Dual-Specific Antibody: Conformational Diversity Leads to A Hypervariable Loop Metal-Binding Site. Protein Eng.Des.Sel. V. 27 391 2014.
ISSN: ISSN 1741-0126
PubMed: 25143596
DOI: 10.1093/PROTEIN/GZU033