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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

Protein crystallography data

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

Nickel Binding Sites:

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 4avk

Go back to Nickel Binding Sites List in 4avk
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 4avk

Go back to Nickel Binding Sites List in 4avk
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

Reference:

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
Page generated: Fri Sep 25 08:39:16 2020
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