Nickel in PDB 3hth: Crystal Structure of Multidrug Binding Protein Ebrr Complexed with Proflavin

The structure of Crystal Structure of Multidrug Binding Protein Ebrr Complexed with Proflavin, PDB code: 3hth was solved by J.Dong, L.Ni, M.Schumacher, R.Brennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	86.39 / 2.70
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	99.719, 99.719, 133.730, 90.00, 90.00, 120.00
R / Rfree (%)	22.8 / 27.7

The binding sites of Nickel atom in the Crystal Structure of Multidrug Binding Protein Ebrr Complexed with Proflavin (pdb code 3hth). 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 Multidrug Binding Protein Ebrr Complexed with Proflavin, PDB code: 3hth:
Jump to Nickel binding site number: 1; 2; 3;

Nickel binding site 1 out of 3 in the Crystal Structure of Multidrug Binding Protein Ebrr Complexed with Proflavin


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 Multidrug Binding Protein Ebrr Complexed with Proflavin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni199 b:88.6 occ:0.50 OE2 A:GLU37 3.7 79.7 1.0 OE1 A:GLU37 3.7 77.8 1.0 CD A:GLU37 4.2 78.6 1.0

Nickel binding site 2 out of 3 in the Crystal Structure of Multidrug Binding Protein Ebrr Complexed with Proflavin


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 Multidrug Binding Protein Ebrr Complexed with Proflavin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni200 b:73.3 occ:1.00 NE2 A:HIS74 1.8 59.6 1.0 OE2 A:GLU94 2.2 82.2 1.0 OE1 A:GLU94 2.3 78.2 1.0 CE1 A:HIS74 2.6 62.4 1.0 CD A:GLU94 2.6 79.8 1.0 CD2 A:HIS74 3.0 62.2 1.0 ND1 A:HIS74 3.8 61.6 1.0 CG A:HIS74 4.0 65.0 1.0 CG A:GLU94 4.1 79.0 1.0 CB A:GLU94 4.9 77.8 1.0

Nickel binding site 3 out of 3 in the Crystal Structure of Multidrug Binding Protein Ebrr Complexed with Proflavin


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 Multidrug Binding Protein Ebrr Complexed with Proflavin within 5.0Å range: probe atom residue distance (Å) B Occ C:Ni200 b:63.5 occ:0.50 NE2 C:HIS74 1.9 61.1 1.0 OE1 C:GLU94 2.0 76.5 1.0 OE2 C:GLU94 2.4 75.5 1.0 CD C:GLU94 2.5 75.9 1.0 CD2 C:HIS74 2.8 62.1 1.0 CE1 C:HIS74 3.0 59.8 1.0 CG C:GLU94 4.0 76.0 1.0 CG C:HIS74 4.0 60.8 1.0 ND1 C:HIS74 4.1 60.2 1.0 O C:HOH305 4.2 58.2 1.0 NH1 C:ARG90 4.7 77.1 1.0 CB C:GLU94 4.8 76.4 1.0

J.Dong, L.Ni, M.Schumacher, R.Brennan. Structural Plasticity Is Key to Multiple Ligand Binding By the Multidrug Binding Regulator Ebrr To Be Published.