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Nickel in PDB 3htj: Crystal Structure of Multidrug Binding Protein Ebrr Complexed with Ethidium

Protein crystallography data

The structure of Crystal Structure of Multidrug Binding Protein Ebrr Complexed with Ethidium, PDB code: 3htj 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) 74.33 / 2.70
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 103.394, 103.394, 133.028, 90.00, 90.00, 120.00
R / Rfree (%) 24.8 / 28.7

Nickel Binding Sites:

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

Nickel binding site 1 out of 2 in 3htj

Go back to Nickel Binding Sites List in 3htj
Nickel binding site 1 out of 2 in the Crystal Structure of Multidrug Binding Protein Ebrr Complexed with Ethidium


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 Ethidium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni200

b:30.5
occ:0.50
NE2 A:HIS74 1.7 54.0 1.0
OE1 A:GLU94 2.5 55.5 1.0
CE1 A:HIS74 2.6 53.4 1.0
CD2 A:HIS74 2.8 54.1 1.0
OE2 A:GLU94 3.1 55.2 1.0
CD A:GLU94 3.2 55.4 1.0
NH1 A:ARG90 3.3 55.0 1.0
ND1 A:HIS74 3.8 52.3 1.0
CG A:HIS74 3.9 54.6 1.0
CG1 A:VAL91 4.3 41.4 1.0
CZ A:ARG90 4.4 55.2 1.0
NH2 A:ARG90 4.6 55.2 1.0
CG A:GLU94 4.6 54.6 1.0

Nickel binding site 2 out of 2 in 3htj

Go back to Nickel Binding Sites List in 3htj
Nickel binding site 2 out of 2 in the Crystal Structure of Multidrug Binding Protein Ebrr Complexed with Ethidium


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 Ethidium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ni200

b:69.4
occ:0.50
NE2 B:HIS74 1.9 56.7 1.0
OE2 B:GLU94 2.5 64.1 1.0
CD2 B:HIS74 2.8 59.0 1.0
CE1 B:HIS74 3.0 58.0 1.0
OE1 B:GLU94 3.0 63.2 1.0
CD B:GLU94 3.1 63.0 1.0
CG B:HIS74 4.0 60.3 1.0
ND1 B:HIS74 4.1 59.6 1.0
CG2 B:VAL91 4.2 48.2 1.0
CG B:GLU94 4.6 61.2 1.0

Reference:

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.
Page generated: Fri Sep 25 08:23:38 2020
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