Nickel in PDB 7bhd: 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: 7bhd 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)	78.99 / 1.40
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	91.21, 91.21, 79.66, 90, 90, 120
R / Rfree (%)	17.1 / 19.8

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 7bhd). 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: 7bhd:
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:32.1 occ:1.00 O A:HOH357 1.9 36.9 1.0 O A:HOH339 2.0 31.0 1.0 OD1 A:ASP47 2.0 29.9 1.0 NE2 A:HIS45 2.1 33.7 1.0 O A:HOH398 2.1 36.5 1.0 O A:HOH478 2.3 43.0 1.0 CG A:ASP47 3.0 31.9 1.0 CE1 A:HIS45 3.1 28.7 1.0 CD2 A:HIS45 3.1 28.8 1.0 HE1 A:HIS45 3.2 34.5 1.0 HD2 A:HIS45 3.3 34.7 1.0 OD2 A:ASP47 3.4 30.9 1.0 O A:HOH533 3.8 46.8 1.0 O A:HOH548 4.0 55.6 1.0 O A:HOH417 4.1 45.3 1.0 ND1 A:HIS45 4.2 29.8 1.0 CG A:HIS45 4.2 27.3 1.0 HA A:ASP47 4.2 37.6 1.0 O A:HOH477 4.3 42.2 1.0 O A:HOH341 4.3 42.0 1.0 CB A:ASP47 4.4 30.9 1.0 HB3 A:ALA2 4.4 31.8 1.0 HD11 A:ILE13 4.5 40.6 1.0 HB3 A:ASP47 4.6 37.2 1.0 CA A:ASP47 4.8 31.2 1.0 HD1 A:HIS45 5.0 35.8 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:44.0 occ:1.00 OD1 B:ASP47 1.9 38.6 1.0 O B:HOH331 2.0 43.4 1.0 NE2 B:HIS45 2.1 37.6 1.0 O B:HOH323 2.2 43.5 1.0 O B:HOH408 2.3 52.8 1.0 O B:HOH439 2.5 48.1 1.0 CD2 B:HIS45 2.9 34.0 1.0 HD2 B:HIS45 2.9 40.9 1.0 CG B:ASP47 2.9 36.6 1.0 CE1 B:HIS45 3.2 39.2 1.0 OD2 B:ASP47 3.3 32.8 1.0 HE1 B:HIS45 3.5 47.2 1.0 O B:HOH312 3.9 53.6 1.0 O B:HOH446 4.0 58.4 1.0 CG B:HIS45 4.1 36.6 1.0 HA B:ASP47 4.2 44.1 1.0 ND1 B:HIS45 4.2 37.5 1.0 HB3 B:ALA2 4.2 31.5 1.0 CB B:ASP47 4.3 38.5 1.0 HB3 B:ASP47 4.6 46.3 1.0 O B:HOH482 4.6 63.6 1.0 CA B:ASP47 4.8 36.7 1.0 HB2 B:ASP47 5.0 46.3 1.0

A.Wellens, C.Garofalo, H.Nguyen, N.Van Gerven, R.Slattegard, J.P.Hernalsteens, L.Wyns, S.Oscarson, H.De Greve, S.Hultgren, J.Bouckaert. Intervening with Urinary Tract Infections Using Anti-Adhesives Based on the Crystal Structure of the Fimh-Oligomannose-3 Complex. Plos One V. 3 E2040 2008.
ISSN: ESSN 1932-6203
PubMed: 18446213
DOI: 10.1371/JOURNAL.PONE.0002040