Nickel in PDB 8bxy: Fimh in Complex with ALPHA1,6 Core-Fucosylated Oligomannose-3, Crystallized in the Trigonal Space Group

The structure of Fimh in Complex with ALPHA1,6 Core-Fucosylated Oligomannose-3, Crystallized in the Trigonal Space Group, PDB code: 8bxy was solved by C.Bridot, J.Bouckaert, E.-M.Krammer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.08 / 1.45
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	91.056, 91.056, 79.578, 90, 90, 120
R / Rfree (%)	15.3 / 20.5

The binding sites of Nickel atom in the Fimh in Complex with ALPHA1,6 Core-Fucosylated Oligomannose-3, Crystallized in the Trigonal Space Group (pdb code 8bxy). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Fimh in Complex with ALPHA1,6 Core-Fucosylated Oligomannose-3, Crystallized in the Trigonal Space Group, PDB code: 8bxy:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Fimh in Complex with ALPHA1,6 Core-Fucosylated Oligomannose-3, Crystallized in the Trigonal Space Group


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Fimh in Complex with ALPHA1,6 Core-Fucosylated Oligomannose-3, Crystallized in the Trigonal Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni201 b:28.6 occ:1.00 OD1 A:ASP47 2.0 27.1 1.0 NE2 A:HIS45 2.0 29.2 1.0 O A:HOH325 2.0 33.6 1.0 O A:HOH395 2.1 32.2 1.0 O A:HOH323 2.1 26.4 1.0 O A:HOH358 2.1 30.5 0.9 O A:HOH451 2.5 64.0 1.0 CG A:ASP47 3.0 25.0 1.0 CD2 A:HIS45 3.0 25.8 1.0 CE1 A:HIS45 3.1 27.2 1.0 OD2 A:ASP47 3.4 27.4 1.0 O A:HOH478 4.0 50.3 1.0 O A:HOH486 4.1 66.0 1.0 O A:HOH397 4.1 47.1 1.0 ND1 A:HIS45 4.2 24.1 1.0 CG A:HIS45 4.2 24.9 1.0 O A:HOH341 4.3 38.8 1.0 O A:HOH446 4.3 44.6 1.0 CB A:ASP47 4.3 29.0 1.0 CA A:ASP47 4.8 25.8 1.0

Nickel binding site 2 out of 2 in the Fimh in Complex with ALPHA1,6 Core-Fucosylated Oligomannose-3, Crystallized in the Trigonal Space Group


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Fimh in Complex with ALPHA1,6 Core-Fucosylated Oligomannose-3, Crystallized in the Trigonal Space Group within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni201 b:42.8 occ:1.00 O B:HOH307 1.9 35.7 1.0 OD1 B:ASP47 1.9 37.5 1.0 NE2 B:HIS45 2.0 43.8 1.0 O B:HOH345 2.1 42.5 1.0 O B:HOH401 2.4 51.7 1.0 O B:HOH400 2.4 86.9 1.0 CD2 B:HIS45 2.9 34.9 1.0 CG B:ASP47 3.0 32.0 1.0 CE1 B:HIS45 3.1 38.4 1.0 OD2 B:ASP47 3.4 29.1 1.0 O B:HOH302 4.0 58.5 1.0 CG B:HIS45 4.1 32.2 1.0 ND1 B:HIS45 4.1 30.9 1.0 CB B:ASP47 4.3 33.2 1.0 CA B:ASP47 4.8 33.6 1.0

E.M.Krammer, C.Bridot, S.Serna, B.Echeverria, S.Semwal, B.Roubinet, K.Van Noort, R.Wilbers, G.Bourenkov, J.De Ruyck, L.Landemarre, N.Reichardt, J.Bouckaert. Structural Insights Into A Cooperative Switch Between One and Two Fimh Bacterial Adhesins Binding Pauci- and High-Mannose Type N-Glycan Receptors J.Biol.Chem. 04627 2023.
ISSN: ESSN 1083-351X
DOI: 10.1016/J.JBC.2023.104627