Sodium in PDB 3v3q: Crystal Structure of Human NUR77 Ligand-Binding Domain in Complex with Ethyl 2-[2,3,4 Trimethoxy-6(1-Octanoyl)Phenyl]Acetate

The structure of Crystal Structure of Human NUR77 Ligand-Binding Domain in Complex with Ethyl 2-[2,3,4 Trimethoxy-6(1-Octanoyl)Phenyl]Acetate, PDB code: 3v3q was solved by Q.Zhang, C.Shi, K.Yang, Y.Chen, Y.Zhan, Q.Wu, T.Lin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.73 / 2.22
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	74.242, 76.773, 129.193, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 28.6

The binding sites of Sodium atom in the Crystal Structure of Human NUR77 Ligand-Binding Domain in Complex with Ethyl 2-[2,3,4 Trimethoxy-6(1-Octanoyl)Phenyl]Acetate (pdb code 3v3q). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of Human NUR77 Ligand-Binding Domain in Complex with Ethyl 2-[2,3,4 Trimethoxy-6(1-Octanoyl)Phenyl]Acetate, PDB code: 3v3q:

Sodium binding site 1 out of 1 in the Crystal Structure of Human NUR77 Ligand-Binding Domain in Complex with Ethyl 2-[2,3,4 Trimethoxy-6(1-Octanoyl)Phenyl]Acetate


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Human NUR77 Ligand-Binding Domain in Complex with Ethyl 2-[2,3,4 Trimethoxy-6(1-Octanoyl)Phenyl]Acetate within 5.0Å range: probe atom residue distance (Å) B Occ B:Na302 b:16.0 occ:1.00 OG B:SER82 2.8 38.2 1.0 NE B:ARG119 3.1 26.5 1.0 NH2 B:ARG119 3.1 28.0 1.0 NH2 B:ARG123 3.2 28.5 1.0 O B:HOH419 3.3 19.9 1.0 CZ B:ARG119 3.5 25.0 1.0 CB B:CYS134 3.6 28.0 1.0 CB B:SER82 3.6 31.0 1.0 SG B:CYS134 3.9 27.0 1.0 O B:HOH418 4.0 23.0 1.0 CG1 B:ILE86 4.1 21.2 1.0 CD1 B:ILE86 4.2 19.1 1.0 CD B:ARG119 4.2 24.2 1.0 CA B:SER82 4.3 31.6 1.0 CB B:ARG119 4.3 22.9 1.0 CZ B:ARG123 4.3 26.0 1.0 O B:SER82 4.5 31.2 1.0 NH1 B:ARG123 4.6 20.9 1.0 CG1 B:VAL85 4.7 27.5 1.0 NH1 B:ARG119 4.8 20.9 1.0 C B:SER82 4.9 33.1 1.0 CA B:CYS134 4.9 24.9 1.0 CG B:ARG119 4.9 25.3 1.0

Y.Zhan, Y.Chen, Q.Zhang, J.Zhuang, M.Tian, H.Chen, L.Zhang, H.Zhang, J.He, W.Wang, R.Wu, Y.Wang, C.Shi, K.Yang, A.Li, Y.Xin, T.Y.Li, J.Y.Yang, Z.Zheng, C.Yu, S.Lin, C.Chang, P.Huang, T.Lin, Q.Wu. The Orphan Nuclear Receptor NUR77 Regulates LKB1 Localization and Activates Ampk Nat.Chem.Biol. V. 8 897 2012.
ISSN: ISSN 1552-4450
PubMed: 22983157
DOI: 10.1038/NCHEMBIO.1069