Potassium in PDB 6dda: NURR1 Covalently Modified By A Dopamine Metabolite

The structure of NURR1 Covalently Modified By A Dopamine Metabolite, PDB code: 6dda was solved by J.M.Bruning, Y.Wang, F.Otrabella, T.Boxue, H.Liu, P.Bhattacharya, S.Guo, J.M.Holton, R.J.Fletterick, M.P.Jacobson, P.M.England, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.29 / 3.20
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	80.586, 80.586, 225.805, 90.00, 90.00, 120.00
R / Rfree (%)	25 / 29.5

The structure of NURR1 Covalently Modified By A Dopamine Metabolite also contains other interesting chemical elements:

Bromine

(Br)

7 atoms

The binding sites of Potassium atom in the NURR1 Covalently Modified By A Dopamine Metabolite (pdb code 6dda). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 5 binding sites of Potassium where determined in the NURR1 Covalently Modified By A Dopamine Metabolite, PDB code: 6dda:
Jump to Potassium binding site number: 1; 2; 3; 4; 5;

Potassium binding site 1 out of 5 in the NURR1 Covalently Modified By A Dopamine Metabolite


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of NURR1 Covalently Modified By A Dopamine Metabolite within 5.0Å range: probe atom residue distance (Å) B Occ B:K601 b:88.0 occ:0.95 BR A:BR601 2.9 78.8 0.6 N B:MET379 3.2 0.5 1.0 CG2 B:THR380 3.4 0.1 1.0 CB B:ALA378 3.9 0.2 1.0 C B:ALA378 3.9 1.0 1.0 CA B:MET379 3.9 0.8 1.0 CA B:ALA378 4.0 1.0 1.0 CB A:ALA367 4.0 87.0 1.0 CA A:ALA367 4.0 86.3 1.0 CB B:MET379 4.1 0.3 1.0 N B:THR380 4.1 0.2 1.0 C B:MET379 4.1 0.7 1.0 CB B:THR380 4.6 0.2 1.0 CG B:MET379 4.7 97.3 1.0 OG1 B:THR380 4.7 0.8 1.0 N A:ALA367 4.7 87.2 1.0 O B:MET379 4.7 0.6 1.0 O B:ALA378 4.8 0.4 1.0 NE A:ARG370 4.8 0.7 1.0 CG A:ARG370 4.9 95.4 1.0 CB A:ARG370 4.9 91.1 1.0 CA B:THR380 4.9 0.6 1.0

Potassium binding site 2 out of 5 in the NURR1 Covalently Modified By A Dopamine Metabolite


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of NURR1 Covalently Modified By A Dopamine Metabolite within 5.0Å range: probe atom residue distance (Å) B Occ B:K603 b:48.9 occ:1.00 OG A:SER501 2.8 87.4 1.0 OG B:SER501 3.1 90.5 1.0 CB A:SER501 3.4 84.2 1.0 CG2 B:ILE500 3.6 89.0 1.0 CE1 A:HIS538 3.7 87.3 1.0 N A:SER501 3.7 81.5 1.0 N B:SER501 3.7 85.3 1.0 CB B:SER501 3.8 88.5 1.0 CG A:ASP499 3.8 90.0 1.0 CG B:ASP499 4.0 93.4 1.0 CB A:ASP499 4.0 92.1 1.0 OD2 A:ASP499 4.0 93.6 1.0 OD1 A:ASP499 4.0 85.5 1.0 CB B:ASP499 4.0 94.0 1.0 NE2 A:HIS538 4.1 85.7 1.0 CG2 A:ILE500 4.1 86.9 1.0 OD1 B:ASP499 4.2 89.9 1.0 CA A:SER501 4.2 80.1 1.0 NE2 B:HIS538 4.2 0.7 1.0 N B:ILE500 4.3 86.7 1.0 OD2 B:ASP499 4.3 97.0 1.0 CA B:SER501 4.4 85.0 1.0 N A:ILE500 4.4 84.7 1.0 C B:ILE500 4.7 83.0 1.0 ND1 A:HIS538 4.7 89.0 1.0 CE1 B:HIS538 4.7 1.0 1.0 C A:ILE500 4.8 79.2 1.0 CA B:ILE500 4.8 84.0 1.0 CB B:ILE500 4.8 85.6 1.0 C B:ASP499 4.9 86.5 1.0 C A:ASP499 4.9 83.7 1.0 CA A:ILE500 5.0 81.5 1.0

Potassium binding site 3 out of 5 in the NURR1 Covalently Modified By A Dopamine Metabolite


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of NURR1 Covalently Modified By A Dopamine Metabolite within 5.0Å range: probe atom residue distance (Å) B Occ A:K605 b:1.0 occ:1.00 O A:HIS538 3.6 98.0 1.0 OD2 B:ASP499 3.8 97.0 1.0 ND2 B:ASN542 4.3 0.7 1.0 ND2 B:ASN543 4.3 0.6 1.0 CE1 A:HIS538 4.5 87.3 1.0 ND1 A:HIS538 4.5 89.0 1.0 CB B:ASP499 4.6 94.0 1.0 CG B:ASP499 4.7 93.4 1.0 C A:PHE541 4.7 0.8 1.0 C A:HIS538 4.7 96.8 1.0

Potassium binding site 4 out of 5 in the NURR1 Covalently Modified By A Dopamine Metabolite


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of NURR1 Covalently Modified By A Dopamine Metabolite within 5.0Å range: probe atom residue distance (Å) B Occ A:K606 b:0.1 occ:1.00 CG A:GLU481 3.9 0.2 1.0 N A:GLU481 4.0 0.1 1.0 CA A:GLY480 4.1 0.0 1.0 C A:GLY480 4.4 0.4 1.0 OE2 A:GLU481 4.5 0.3 1.0 BR A:BR604 4.7 0.5 0.6 CD A:GLU481 4.7 0.0 1.0 CA A:GLU481 4.9 0.6 1.0 CB A:GLU481 5.0 0.4 1.0

Potassium binding site 5 out of 5 in the NURR1 Covalently Modified By A Dopamine Metabolite


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of NURR1 Covalently Modified By A Dopamine Metabolite within 5.0Å range: probe atom residue distance (Å) B Occ C:K604 b:0.5 occ:1.00 N C:ASP399 3.4 0.6 1.0 NH1 C:ARG477 4.4 0.8 1.0 OE1 C:GLN401 4.6 1.0 1.0 NH2 C:ARG477 4.6 0.7 1.0 CA C:ASP399 4.8 0.6 1.0 CD C:GLN401 4.8 0.8 1.0 OD1 C:ASP399 5.0 1.0 1.0

J.M.Bruning, Y.Wang, F.Oltrabella, B.Tian, S.A.Kholodar, H.Liu, P.Bhattacharya, S.Guo, J.M.Holton, R.J.Fletterick, M.P.Jacobson, P.M.England. Covalent Modification and Regulation of the Nuclear Receptor NURR1 By A Dopamine Metabolite. Cell Chem Biol V. 26 674 2019.
ISSN: ESSN 2451-9456
PubMed: 30853418
DOI: 10.1016/J.CHEMBIOL.2019.02.002