Nickel in PDB 4zit: Crystal Structure of Acrb in P21 Space Group

The structure of Crystal Structure of Acrb in P21 Space Group, PDB code: 4zit was solved by A.Ababou, V.Koronakis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.95 / 3.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	151.840, 156.856, 218.582, 90.00, 92.70, 90.00
R / Rfree (%)	26.8 / 33.9

The binding sites of Nickel atom in the Crystal Structure of Acrb in P21 Space Group (pdb code 4zit). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 3 binding sites of Nickel where determined in the Crystal Structure of Acrb in P21 Space Group, PDB code: 4zit:
Jump to Nickel binding site number: 1; 2; 3;

Nickel binding site 1 out of 3 in the Crystal Structure of Acrb in P21 Space Group


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 Acrb in P21 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1102 b:79.6 occ:1.00 NE2 A:HIS525 1.9 70.4 1.0 OD2 A:ASP529 2.0 90.6 1.0 OD1 A:ASP529 2.2 89.8 1.0 CG A:ASP529 2.4 87.9 1.0 CD2 A:HIS525 2.6 72.2 1.0 CE1 A:HIS525 3.0 74.7 1.0 CG A:HIS525 3.8 75.6 1.0 CB A:ASP529 3.9 77.1 1.0 ND1 A:HIS525 4.0 75.4 1.0 O A:HIS525 4.7 65.1 1.0 CA A:ASP529 4.9 75.4 1.0

Nickel binding site 2 out of 3 in the Crystal Structure of Acrb in P21 Space Group


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 Acrb in P21 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ C:Ni1102 b:80.3 occ:1.00 OD2 C:ASP529 1.9 61.4 1.0 NE2 C:HIS525 2.0 67.8 1.0 CG C:ASP529 2.7 60.6 1.0 CD2 C:HIS525 2.8 64.0 1.0 OD1 C:ASP529 2.9 59.3 1.0 CE1 C:HIS525 3.2 64.8 1.0 CG C:HIS525 4.0 48.8 1.0 CB C:ASP529 4.1 55.4 1.0 ND1 C:HIS525 4.2 51.2 1.0

Nickel binding site 3 out of 3 in the Crystal Structure of Acrb in P21 Space Group


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Crystal Structure of Acrb in P21 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ E:Ni1102 b:96.9 occ:1.00 NE2 E:HIS525 2.0 94.1 1.0 OD2 E:ASP529 2.0 94.3 1.0 OD1 E:ASP529 2.1 0.5 1.0 CG E:ASP529 2.3 95.0 1.0 CD2 E:HIS525 2.4 97.3 1.0 CE1 E:HIS525 3.3 0.1 1.0 CG E:HIS525 3.7 0.1 1.0 CB E:ASP529 3.8 85.5 1.0 ND1 E:HIS525 4.1 0.4 1.0 CA E:ASP529 4.6 82.4 1.0 O E:HIS525 4.9 76.2 1.0 CB E:HIS525 5.0 90.5 1.0

A.Ababou, V.Koronakis. Structures of Gate Loop Variants of the Acrb Drug Efflux Pump Bound By Erythromycin Substrate. Plos One V. 11 59154 2016.
ISSN: ESSN 1932-6203
PubMed: 27403665
DOI: 10.1371/JOURNAL.PONE.0159154