Nickel in PDB 1scr: High-Resolution Structures of Single-Metal-Substituted Concanavalin A: the Co,Ca-Protein at 1.6 Angstroms and the Ni,Ca-Protein at 2.0 Angstroms

The structure of High-Resolution Structures of Single-Metal-Substituted Concanavalin A: the Co,Ca-Protein at 1.6 Angstroms and the Ni,Ca-Protein at 2.0 Angstroms, PDB code: 1scr was solved by C.Emmerich, J.R.Helliwell, M.Redshaw, J.H.Naismith, S.J.Harrop, J.Raftery, A.J.Kalb, J.Yariv, Z.Dauter, K.S.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.00
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.440, 87.210, 63.060, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / n/a

The structure of High-Resolution Structures of Single-Metal-Substituted Concanavalin A: the Co,Ca-Protein at 1.6 Angstroms and the Ni,Ca-Protein at 2.0 Angstroms also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Nickel atom in the High-Resolution Structures of Single-Metal-Substituted Concanavalin A: the Co,Ca-Protein at 1.6 Angstroms and the Ni,Ca-Protein at 2.0 Angstroms (pdb code 1scr). 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 High-Resolution Structures of Single-Metal-Substituted Concanavalin A: the Co,Ca-Protein at 1.6 Angstroms and the Ni,Ca-Protein at 2.0 Angstroms, PDB code: 1scr:

Nickel binding site 1 out of 1 in the High-Resolution Structures of Single-Metal-Substituted Concanavalin A: the Co,Ca-Protein at 1.6 Angstroms and the Ni,Ca-Protein at 2.0 Angstroms


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of High-Resolution Structures of Single-Metal-Substituted Concanavalin A: the Co,Ca-Protein at 1.6 Angstroms and the Ni,Ca-Protein at 2.0 Angstroms within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni238 b:20.1 occ:1.00 NE2 A:HIS24 2.1 9.5 1.0 OD2 A:ASP10 2.1 11.8 1.0 OD1 A:ASP19 2.2 18.0 1.0 OE2 A:GLU8 2.2 16.2 1.0 O A:HOH252 2.3 12.3 1.0 O A:HOH253 2.3 13.5 1.0 CE1 A:HIS24 3.0 11.5 1.0 CG A:ASP19 3.1 17.1 1.0 CG A:ASP10 3.1 11.9 1.0 CD2 A:HIS24 3.2 10.3 1.0 CD A:GLU8 3.2 14.3 1.0 CB A:ASP10 3.5 11.1 1.0 OD2 A:ASP19 3.5 13.1 1.0 OE1 A:GLU8 3.5 14.0 1.0 O A:HOH248 4.1 12.3 1.0 ND1 A:HIS24 4.1 12.9 1.0 OD1 A:ASP10 4.2 12.7 1.0 CA A:CA239 4.2 13.3 1.0 OG A:SER34 4.2 14.3 1.0 CB A:ASP19 4.2 12.8 1.0 CG A:HIS24 4.2 12.3 1.0 O A:HOH367 4.5 43.6 1.0 CG A:GLU8 4.5 11.3 1.0 CA A:ASP19 4.5 14.5 1.0 O A:VAL32 4.8 14.3 1.0 CA A:ASP10 5.0 13.3 1.0

C.Emmerich, J.R.Helliwell, M.Redshaw, J.H.Naismith, S.J.Harrop, J.Raftery, A.J.Kalb, J.Yariv, Z.Dauter, K.S.Wilson. High-Resolution Structures of Single-Metal-Substituted Concanavalin A: the Co,Ca-Protein at 1.6 A and the Ni,Ca-Protein at 2.0 A. Acta Crystallogr.,Sect.D V. 50 749 1994.
ISSN: ISSN 0907-4449
PubMed: 15299372
DOI: 10.1107/S0907444994002143