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Nickel in PDB 2vco: Crystal Structure of the Fimbrial Adhesin Fimh in Complex with Its High-Mannose Epitope

Protein crystallography data

The structure of Crystal Structure of the Fimbrial Adhesin Fimh in Complex with Its High-Mannose Epitope, PDB code: 2vco was solved by A.Wellens, C.Garofalo, H.Nguyen, L.Wyns, H.De Greve, S.J.Hultgren, J.Bouckaert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 78.33 / 2.10
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 90.562, 90.562, 79.480, 90.00, 90.00, 120.00
R / Rfree (%) 18.4 / 24.1

Nickel Binding Sites:

The binding sites of Nickel atom in the Crystal Structure of the Fimbrial Adhesin Fimh in Complex with Its High-Mannose Epitope (pdb code 2vco). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Crystal Structure of the Fimbrial Adhesin Fimh in Complex with Its High-Mannose Epitope, PDB code: 2vco:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in 2vco

Go back to Nickel Binding Sites List in 2vco
Nickel binding site 1 out of 2 in the Crystal Structure of the Fimbrial Adhesin Fimh in Complex with Its High-Mannose Epitope


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of the Fimbrial Adhesin Fimh in Complex with Its High-Mannose Epitope within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni1159

b:27.0
occ:1.00
O A:HOH2073 1.8 25.2 1.0
O A:HOH2074 1.9 18.1 1.0
OD1 A:ASP47 2.0 23.5 1.0
NE2 A:HIS45 2.2 26.2 1.0
O A:HOH2075 2.2 35.0 1.0
O A:HOH2072 2.4 37.3 1.0
CG A:ASP47 3.0 24.0 1.0
CE1 A:HIS45 3.1 24.1 1.0
CD2 A:HIS45 3.3 24.5 1.0
OD2 A:ASP47 3.3 23.0 1.0
O A:HOH2150 4.1 29.5 1.0
O A:HOH2076 4.1 38.5 1.0
ND1 A:HIS45 4.2 22.4 1.0
O A:HOH2033 4.3 41.8 1.0
CB A:ASP47 4.4 26.3 1.0
CG A:HIS45 4.4 21.6 1.0
O A:HOH2081 4.6 40.0 1.0
CA A:ASP47 4.8 26.6 1.0

Nickel binding site 2 out of 2 in 2vco

Go back to Nickel Binding Sites List in 2vco
Nickel binding site 2 out of 2 in the Crystal Structure of the Fimbrial Adhesin Fimh in Complex with Its High-Mannose Epitope


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Crystal Structure of the Fimbrial Adhesin Fimh in Complex with Its High-Mannose Epitope within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ni1159

b:38.6
occ:1.00
O B:HOH2079 1.9 26.2 1.0
OD1 B:ASP47 1.9 31.9 1.0
NE2 B:HIS45 2.2 29.8 1.0
O B:HOH2080 2.2 38.0 1.0
O B:HOH2081 2.6 46.8 1.0
O B:HOH2038 2.6 64.4 1.0
CG B:ASP47 2.9 31.4 1.0
CD2 B:HIS45 3.1 30.0 1.0
CE1 B:HIS45 3.2 28.9 1.0
OD2 B:ASP47 3.3 24.8 1.0
CB B:ASP47 4.3 29.7 1.0
CG B:HIS45 4.3 28.0 1.0
ND1 B:HIS45 4.3 31.7 1.0
CA B:ASP47 4.8 30.1 1.0

Reference:

A.Wellens, C.Garofalo, H.Nguyen, N.Van Gerven, R.Slattegard, J.P.Hernalsteens, L.Wyns, S.Oscarson, H.De Greve, S.J.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
Page generated: Thu Oct 29 06:18:13 2020
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