Chlorine in PDB 5y41: Crystal Structure of Ligand-Bound NURR1-Lbd

The structure of Crystal Structure of Ligand-Bound NURR1-Lbd, PDB code: 5y41 was solved by R.Sreekanth, J.Lescar, H.S.Yoon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.05
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	88.520, 131.460, 47.130, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 25.3

The structure of Crystal Structure of Ligand-Bound NURR1-Lbd also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Ligand-Bound NURR1-Lbd (pdb code 5y41). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Ligand-Bound NURR1-Lbd, PDB code: 5y41:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Ligand-Bound NURR1-Lbd


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Ligand-Bound NURR1-Lbd within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:30.4 occ:1.00 O A:HOH769 2.8 25.8 1.0 NE A:ARG450 3.2 22.3 1.0 OG A:SER413 3.4 45.5 1.0 NH2 A:ARG450 3.4 21.2 1.0 NH1 A:ARG454 3.5 29.9 1.0 CB A:CYS465 3.6 33.1 1.0 CD1 A:ILE417 3.6 23.4 1.0 CG1 A:ILE417 3.6 23.3 1.0 CZ A:ARG450 3.8 22.0 1.0 O A:HOH787 3.9 28.7 1.0 CB A:SER413 4.0 35.7 1.0 CB A:ARG450 4.2 23.2 1.0 CD A:ARG450 4.2 22.9 1.0 NH2 A:ARG454 4.3 31.6 1.0 CZ A:ARG454 4.4 31.6 1.0 SG A:CYS465 4.4 43.0 1.0 O A:SER413 4.5 33.5 1.0 CA A:SER413 4.6 33.5 1.0 CA A:PHE447 4.6 24.7 1.0 CA A:CYS465 4.7 31.4 1.0 CD1 A:PHE447 4.8 24.6 1.0 O A:PHE447 4.9 26.9 1.0 CG A:ARG450 4.9 22.9 1.0 C A:SER413 5.0 35.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Ligand-Bound NURR1-Lbd


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Ligand-Bound NURR1-Lbd within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl602 b:33.8 occ:1.00 O B:HOH727 2.9 23.0 1.0 NE B:ARG450 3.1 22.9 1.0 NH2 B:ARG450 3.3 21.5 1.0 OG B:SER413 3.4 45.5 1.0 CB B:CYS465 3.5 34.8 1.0 NH1 B:ARG454 3.6 29.0 1.0 CD1 B:ILE417 3.6 27.0 1.0 O B:HOH770 3.6 37.6 1.0 CZ B:ARG450 3.7 22.8 1.0 CG1 B:ILE417 3.7 26.5 1.0 CB B:SER413 3.9 38.0 1.0 SG B:CYS465 4.0 43.0 1.0 CD B:ARG450 4.2 21.9 1.0 CB B:ARG450 4.3 22.8 1.0 NH2 B:ARG454 4.3 27.8 1.0 CZ B:ARG454 4.4 29.7 1.0 CA B:SER413 4.6 35.7 1.0 CA B:CYS465 4.6 34.5 1.0 CA B:PHE447 4.6 24.6 1.0 CD1 B:PHE447 4.6 26.7 1.0 O B:SER413 4.7 34.5 1.0 N B:CYS465 4.8 31.4 1.0 CG B:ARG450 4.9 22.9 1.0 O B:PHE447 4.9 25.2 1.0

S.Rajan, Y.Jang, C.H.Kim, H.T.Toh, J.Jeon, B.Song, A.S.Maqueda, J.Lescar, J.Shin, X.Liu, M.Feitosa, D.Hwang, K.L.Lim, H.M.Park, C.H.Lee, G.A.Petsko, H.S.Yoon, K.S.Kim. Co-Crystal Structure and Function of NURR1 Bound to the Cyclopentenone Prostaglandin A1 To Be Published.