Nickel in PDB 5oll: Crystal Structure of Gurmarin, A Sweet Taste Suppressing Polypeptide

The structure of Crystal Structure of Gurmarin, A Sweet Taste Suppressing Polypeptide, PDB code: 5oll was solved by M.Sigoillot, F.Neiers, P.Legrand, P.Roblin, L.Briand, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.00 / 1.45
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	53.650, 53.650, 38.110, 90.00, 90.00, 120.00
R / Rfree (%)	19 / 19.1

The binding sites of Nickel atom in the Crystal Structure of Gurmarin, A Sweet Taste Suppressing Polypeptide (pdb code 5oll). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 4 binding sites of Nickel where determined in the Crystal Structure of Gurmarin, A Sweet Taste Suppressing Polypeptide, PDB code: 5oll:
Jump to Nickel binding site number: 1; 2; 3; 4;

Nickel binding site 1 out of 4 in the Crystal Structure of Gurmarin, A Sweet Taste Suppressing Polypeptide


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 Gurmarin, A Sweet Taste Suppressing Polypeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni101 b:23.8 occ:0.41 NI A:NI101 0.0 23.8 0.4 NI A:NI101 1.2 35.2 0.6 OE1 A:GLU22 2.1 50.9 1.0 OE2 A:GLU22 2.3 48.5 1.0 CD A:GLU22 2.5 55.2 1.0 OE2 A:GLU19 3.1 60.8 0.3 O A:HOH231 4.0 42.1 0.2 CG A:GLU22 4.0 39.5 1.0 O A:LEU21 4.1 29.1 1.0 O A:HOH204 4.2 25.9 0.2 O A:HOH205 4.3 37.2 1.0 CD A:GLU19 4.3 63.2 0.3 CG A:GLU19 4.8 39.9 0.3 CA A:GLU22 4.8 28.9 1.0 CB A:GLU22 4.9 32.7 1.0 O A:HOH222 5.0 33.9 1.0

Nickel binding site 2 out of 4 in the Crystal Structure of Gurmarin, A Sweet Taste Suppressing Polypeptide


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 Gurmarin, A Sweet Taste Suppressing Polypeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni101 b:35.2 occ:0.59 NI A:NI101 0.0 35.2 0.6 NI A:NI101 1.2 23.8 0.4 OE2 A:GLU19 2.4 60.8 0.3 OE2 A:GLU22 2.9 48.5 1.0 O A:HOH231 3.0 42.1 0.2 O A:HOH204 3.2 25.9 0.2 OE1 A:GLU22 3.3 50.9 1.0 CD A:GLU19 3.4 63.2 0.3 CD A:GLU22 3.5 55.2 1.0 CG A:GLU19 3.8 39.9 0.3 O A:HOH205 4.2 37.2 1.0 CG A:GLU19 4.2 25.5 0.7 OE2 A:GLU19 4.3 36.2 0.7 CD A:GLU19 4.3 37.5 0.7 OE1 A:GLU19 4.4 64.4 0.3 O A:LEU21 4.5 29.1 1.0 CG A:GLU22 5.0 39.5 1.0

Nickel binding site 3 out of 4 in the Crystal Structure of Gurmarin, A Sweet Taste Suppressing Polypeptide


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 Gurmarin, A Sweet Taste Suppressing Polypeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni102 b:26.4 occ:0.23 O A:GLU1 2.1 29.5 1.0 N A:GLU1 2.2 33.2 1.0 C A:GLU1 2.8 31.6 1.0 CA A:GLU1 3.0 31.3 1.0 CB A:GLU1 3.7 32.1 1.0 N A:GLN2 4.1 28.9 1.0 O A:HOH227 4.2 44.3 1.0 O A:HOH228 4.5 43.4 1.0 CA A:GLN2 4.7 28.6 1.0

Nickel binding site 4 out of 4 in the Crystal Structure of Gurmarin, A Sweet Taste Suppressing Polypeptide


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 4 of Crystal Structure of Gurmarin, A Sweet Taste Suppressing Polypeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni103 b:25.4 occ:0.23 O A:HOH237 2.1 29.8 1.0 O A:HOH202 2.3 30.1 1.0 OD1 A:ASP16 3.8 28.5 1.0 OD2 A:ASP16 4.2 26.1 1.0 CG A:ASP16 4.4 28.3 1.0 O A:HOH228 4.4 43.4 1.0 CB A:CYS3 4.6 21.5 1.0

M.Sigoillot, A.Brockhoff, F.Neiers, N.Poirier, C.Belloir, P.Legrand, C.Charron, P.Roblin, W.Meyerhof, L.Briand. The Crystal Structure of Gurmarin, A Sweet Taste-Suppressing Protein: Identification of the Amino Acid Residues Essential For Inhibition. Chem. Senses V. 43 635 2018.
ISSN: ESSN 1464-3553
PubMed: 30137256
DOI: 10.1093/CHEMSE/BJY054