Nickel in PDB 2iwb: MECR1 Unbound Extracellular Antibiotic-Sensor Domain.

The structure of MECR1 Unbound Extracellular Antibiotic-Sensor Domain., PDB code: 2iwb was solved by A.Marrero, G.Mallorqui-Fernandez, T.Guevara, R.Garcia-Castellanos, F.X.Gomis-Ruth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.60 / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.560, 80.790, 58.880, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 20.3

The binding sites of Nickel atom in the MECR1 Unbound Extracellular Antibiotic-Sensor Domain. (pdb code 2iwb). 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 MECR1 Unbound Extracellular Antibiotic-Sensor Domain., PDB code: 2iwb:

Nickel binding site 1 out of 1 in the MECR1 Unbound Extracellular Antibiotic-Sensor Domain.


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of MECR1 Unbound Extracellular Antibiotic-Sensor Domain. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni601 b:23.3 occ:1.00 N B:HIS2 2.1 27.7 1.0 NE2 A:HIS450 2.1 28.2 1.0 ND1 B:HIS2 2.1 24.9 1.0 O B:HOH2001 2.4 18.5 1.0 CD2 A:HIS450 2.5 26.6 1.0 N B:GLY1 2.5 28.0 1.0 C B:GLY1 3.0 27.9 1.0 CG B:HIS2 3.0 26.4 1.0 CA B:HIS2 3.0 28.2 1.0 CE1 B:HIS2 3.2 25.7 1.0 CA B:GLY1 3.2 28.0 1.0 CB B:HIS2 3.2 27.5 1.0 CE1 A:HIS450 3.3 28.8 1.0 N B:MET3 3.4 31.6 1.0 O A:ASN446 3.6 21.6 1.0 C B:HIS2 3.7 29.5 1.0 CG A:HIS450 3.8 25.8 1.0 O B:GLY1 4.1 28.6 1.0 ND1 A:HIS450 4.1 25.4 1.0 CD2 B:HIS2 4.1 27.4 1.0 NE2 B:HIS2 4.2 26.4 1.0 C A:ASN446 4.4 20.0 1.0 CA B:MET3 4.5 33.7 1.0 CB A:ASN446 4.7 17.7 1.0 O B:HIS2 4.9 28.8 1.0 C B:MET3 4.9 34.4 1.0 CA A:ASN446 5.0 18.8 1.0

A.Marrero, G.Mallorqui-Fernandez, T.Guevara, R.Garcia-Castellanos, F.X.Gomis-Ruth. Unbound and Acylated Structures of the MECR1 Extracellular Antibiotic-Sensor Domain Provide Insights Into the Signal-Transduction System That Triggers Methicillin Resistance. J.Mol.Biol. V. 361 506 2006.
ISSN: ISSN 0022-2836
PubMed: 16846613
DOI: 10.1016/J.JMB.2006.06.046