Nickel in PDB 4avk: Structure of Trigonal Fimh Lectin Domain Crystal Soaked with An Alpha-D-Mannoside O-Linked to Propynyl Pyridine at 2.4 A Resolution

The structure of Structure of Trigonal Fimh Lectin Domain Crystal Soaked with An Alpha-D-Mannoside O-Linked to Propynyl Pyridine at 2.4 A Resolution, PDB code: 4avk was solved by A.Wellens, M.Lahmann, M.Touaibia, J.Vaucher, S.Oscarson, R.Roy, H.Remaut, J.Bouckaert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.811 / 2.40
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	90.460, 90.460, 79.540, 90.00, 90.00, 120.00
R / Rfree (%)	16.61 / 20.57

The binding sites of Nickel atom in the Structure of Trigonal Fimh Lectin Domain Crystal Soaked with An Alpha-D-Mannoside O-Linked to Propynyl Pyridine at 2.4 A Resolution (pdb code 4avk). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Structure of Trigonal Fimh Lectin Domain Crystal Soaked with An Alpha-D-Mannoside O-Linked to Propynyl Pyridine at 2.4 A Resolution, PDB code: 4avk:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Structure of Trigonal Fimh Lectin Domain Crystal Soaked with An Alpha-D-Mannoside O-Linked to Propynyl Pyridine at 2.4 A Resolution


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Structure of Trigonal Fimh Lectin Domain Crystal Soaked with An Alpha-D-Mannoside O-Linked to Propynyl Pyridine at 2.4 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1159 b:32.7 occ:1.00 OD1 A:ASP47 2.0 31.6 1.0 NE2 A:HIS45 2.0 36.7 1.0 O A:HOH2034 2.4 26.5 1.0 O A:HOH2035 2.6 36.7 1.0 CE1 A:HIS45 2.9 28.3 1.0 CG A:ASP47 3.0 23.6 1.0 CD2 A:HIS45 3.1 25.3 1.0 OD2 A:ASP47 3.4 30.0 1.0 ND1 A:HIS45 4.1 25.4 1.0 CG A:HIS45 4.2 24.7 1.0 CB A:ASP47 4.3 26.4 1.0 CA A:ASP47 4.7 26.3 1.0

Nickel binding site 2 out of 2 in the Structure of Trigonal Fimh Lectin Domain Crystal Soaked with An Alpha-D-Mannoside O-Linked to Propynyl Pyridine at 2.4 A Resolution


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Structure of Trigonal Fimh Lectin Domain Crystal Soaked with An Alpha-D-Mannoside O-Linked to Propynyl Pyridine at 2.4 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni1162 b:41.0 occ:1.00 OD1 B:ASP47 1.9 32.3 1.0 NE2 B:HIS45 2.1 29.2 1.0 O B:HOH2042 2.4 28.0 1.0 CG B:ASP47 3.0 29.5 1.0 CE1 B:HIS45 3.0 26.3 1.0 CD2 B:HIS45 3.1 25.8 1.0 OD2 B:ASP47 3.4 28.4 1.0 ND1 B:HIS45 4.2 26.5 1.0 CB B:ASP47 4.2 28.7 1.0 CG B:HIS45 4.3 25.6 1.0 CA B:ASP47 4.7 31.8 1.0

A.Wellens, M.Lahmann, M.Touaibia, J.Vaucher, S.Oscarson, R.Roy, H.Remaut, J.Bouckaert. The Tyrosine Gate As A Potential Entropic Lever in the Receptor-Binding Site of the Bacterial Adhesin Fimh. Biochemistry V. 51 4790 2012.
ISSN: ISSN 0006-2960
PubMed: 22657089
DOI: 10.1021/BI300251R