Nickel in PDB 5ke1: Structure of A C-Terminal Fragment of the Icsa/Virg Passenger-Domain

The structure of Structure of A C-Terminal Fragment of the Icsa/Virg Passenger-Domain, PDB code: 5ke1 was solved by S.Leupold, A.Scrima, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.34 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	35.870, 84.670, 114.270, 90.00, 98.46, 90.00
R / Rfree (%)	16.6 / 19.5

The binding sites of Nickel atom in the Structure of A C-Terminal Fragment of the Icsa/Virg Passenger-Domain (pdb code 5ke1). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Structure of A C-Terminal Fragment of the Icsa/Virg Passenger-Domain, PDB code: 5ke1:

Nickel binding site 1 out of 1 in the Structure of A C-Terminal Fragment of the Icsa/Virg Passenger-Domain


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Structure of A C-Terminal Fragment of the Icsa/Virg Passenger-Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni801 b:19.8 occ:1.00 OD2 B:ASP701 1.9 26.8 1.0 NE2 B:HIS669 2.0 29.3 1.0 CG B:ASP701 2.6 24.7 1.0 OD1 B:ASP701 2.6 23.6 1.0 CE1 B:HIS669 2.8 24.4 1.0 HE1 B:HIS669 2.8 29.3 1.0 HB3 B:SER671 3.0 32.9 1.0 CD2 B:HIS669 3.2 29.1 1.0 HB2 B:SER671 3.5 32.9 1.0 HD2 B:HIS669 3.5 34.9 1.0 CB B:SER671 3.7 27.4 1.0 ND1 B:HIS669 4.0 27.4 1.0 CB B:ASP701 4.1 20.0 1.0 HA B:SER671 4.1 30.0 1.0 CG B:HIS669 4.2 23.6 1.0 HB2 B:ASP701 4.3 24.0 1.0 HB3 B:ASP701 4.5 24.0 1.0 CA B:SER671 4.5 25.0 1.0 H B:ASP701 4.6 26.7 1.0 HD1 B:HIS669 4.7 32.8 1.0 O B:ALA670 4.8 25.0 1.0 O B:HOH944 4.8 55.5 1.0 OG B:SER671 4.8 27.2 1.0

S.Leupold, P.Busing, P.J.Mas, D.J.Hart, A.Scrima. Structural Insights Into the Architecture of the Shigella Flexneri Virulence Factor Icsa/Virg and Motifs Involved in Polar Distribution and Secretion. J. Struct. Biol. V. 198 19 2017.
ISSN: ESSN 1095-8657
PubMed: 28268178
DOI: 10.1016/J.JSB.2017.03.003