Nickel in PDB 5mts: Complex of Fimh Lectin with A Tazman (Thiazolylaminomannosides) Family Member Known As Potent Anti-Adhesive Agent at 2.6 A Resolution

The structure of Complex of Fimh Lectin with A Tazman (Thiazolylaminomannosides) Family Member Known As Potent Anti-Adhesive Agent at 2.6 A Resolution, PDB code: 5mts was solved by J.De Ruyck, J.Bouckaert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.14 / 2.60
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	90.277, 90.277, 97.765, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 25

The binding sites of Nickel atom in the Complex of Fimh Lectin with A Tazman (Thiazolylaminomannosides) Family Member Known As Potent Anti-Adhesive Agent at 2.6 A Resolution (pdb code 5mts). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Complex of Fimh Lectin with A Tazman (Thiazolylaminomannosides) Family Member Known As Potent Anti-Adhesive Agent at 2.6 A Resolution, PDB code: 5mts:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Complex of Fimh Lectin with A Tazman (Thiazolylaminomannosides) Family Member Known As Potent Anti-Adhesive Agent at 2.6 A Resolution


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Complex of Fimh Lectin with A Tazman (Thiazolylaminomannosides) Family Member Known As Potent Anti-Adhesive Agent at 2.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni302 b:41.5 occ:1.00 NE2 A:HIS45 2.0 38.5 1.0 O A:HOH415 2.0 46.6 1.0 O A:HOH519 2.1 41.6 1.0 O A:HOH475 2.2 33.8 1.0 O A:HOH520 2.3 32.6 1.0 OD1 A:ASP47 2.3 42.5 1.0 O A:HOH491 2.5 26.8 1.0 CE1 A:HIS45 2.8 38.9 1.0 CD2 A:HIS45 3.1 40.4 1.0 CG A:ASP47 3.2 45.6 1.0 OD2 A:ASP47 3.3 43.5 1.0 O A:HOH502 3.7 47.5 1.0 ND1 A:HIS45 4.0 37.0 1.0 CG A:HIS45 4.2 40.6 1.0 CB A:ASP47 4.6 38.0 1.0 O A:HOH476 4.8 52.9 1.0 CB A:ALA2 5.0 33.4 1.0

Nickel binding site 2 out of 2 in the Complex of Fimh Lectin with A Tazman (Thiazolylaminomannosides) Family Member Known As Potent Anti-Adhesive Agent at 2.6 A Resolution


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Complex of Fimh Lectin with A Tazman (Thiazolylaminomannosides) Family Member Known As Potent Anti-Adhesive Agent at 2.6 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni302 b:52.6 occ:1.00 O B:HOH416 1.8 44.3 1.0 NE2 B:HIS45 1.9 36.3 1.0 O B:HOH446 2.1 35.5 1.0 OD1 B:ASP47 2.3 42.1 1.0 O B:HOH504 2.4 36.5 1.0 CE1 B:HIS45 2.6 37.0 1.0 CG B:ASP47 3.1 42.7 1.0 CD2 B:HIS45 3.1 43.4 1.0 OD2 B:ASP47 3.3 49.0 1.0 ND1 B:HIS45 3.8 36.2 1.0 CG B:HIS45 4.1 41.4 1.0 O B:HOH536 4.1 48.7 1.0 O B:HOH469 4.2 41.8 1.0 O B:HOH434 4.4 55.0 1.0 CB B:ASP47 4.5 44.8 1.0 CB B:ALA2 4.7 38.8 1.0 O B:HOH495 5.0 42.6 1.0 O B:HOH420 5.0 39.6 1.0

D.Alvarez Dorta, T.Chalopin, A.Sivignon, J.De Ruyck, T.I.Dumych, R.O.Bilyy, D.Deniaud, N.Barnich, J.Bouckaert, S.G.Gouin. Physiochemical Tuning of Potent Escherichia Coli Anti-Adhesives By Microencapsulation and Methylene Homologation. Chemmedchem V. 12 986 2017.
ISSN: ESSN 1860-7187
PubMed: 28257558
DOI: 10.1002/CMDC.201700061