Chlorine in PDB 6hk6: Human RIOK2 Bound to Inhibitor

All present enzymatic activity of Human RIOK2 Bound to Inhibitor:
2.7.11.1;

The structure of Human RIOK2 Bound to Inhibitor, PDB code: 6hk6 was solved by J.Wang, T.Krojer, C.Bountra, A.M.Edwards, C.Arrowsmith, S.Knapp, J.M.Elkins, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	78.34 / 2.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	92.010, 92.860, 237.650, 90.00, 99.10, 90.00
R / Rfree (%)	21.5 / 23.5

The binding sites of Chlorine atom in the Human RIOK2 Bound to Inhibitor (pdb code 6hk6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Human RIOK2 Bound to Inhibitor, PDB code: 6hk6:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Human RIOK2 Bound to Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human RIOK2 Bound to Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:43.7 occ:1.00 NH1 A:ARG18 3.0 38.3 1.0 CD A:ARG14 3.5 38.2 1.0 N H:HIS200 3.7 49.6 1.0 CG A:ARG18 3.9 35.9 1.0 O H:HIS201 4.0 50.7 1.0 N H:HIS201 4.1 51.3 1.0 CD A:ARG18 4.1 37.0 1.0 CG2 H:ILE199 4.2 42.3 1.0 CA H:ILE199 4.2 43.5 1.0 CZ A:ARG18 4.2 38.8 1.0 CD1 H:ILE199 4.3 42.1 1.0 CE2 A:PHE17 4.3 33.7 1.0 CG A:ARG14 4.4 37.9 1.0 C H:ILE199 4.4 45.2 1.0 CD2 A:PHE17 4.4 34.1 1.0 NE A:ARG18 4.6 38.2 1.0 CA H:HIS200 4.6 53.5 1.0 O A:HOH572 4.6 39.3 1.0 CB H:ILE199 4.7 41.9 1.0 NH1 A:ARG14 4.7 37.1 1.0 NE A:ARG14 4.7 38.8 1.0 C H:HIS200 4.8 52.4 1.0 C H:HIS201 4.9 49.9 1.0 O H:GLN198 4.9 44.2 1.0 CA H:HIS201 5.0 52.2 1.0 CB H:HIS200 5.0 58.6 1.0

Chlorine binding site 2 out of 4 in the Human RIOK2 Bound to Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human RIOK2 Bound to Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:78.1 occ:1.00 CA A:ARG14 3.8 36.0 1.0 O A:MET12 4.0 38.2 1.0 N A:ARG14 4.0 36.2 1.0 CB A:PHE17 4.0 33.7 1.0 O A:SER13 4.1 34.9 1.0 NH1 A:ARG14 4.1 37.1 1.0 C A:SER13 4.2 36.1 1.0 CG A:PHE17 4.3 33.2 1.0 CB A:ARG14 4.3 37.4 1.0 CZ A:ARG14 4.4 38.0 1.0 O H:GLU238 4.5 49.7 1.0 CD2 A:PHE17 4.6 34.1 1.0 NE A:ARG14 4.6 38.8 1.0 CD A:ARG14 4.7 38.2 1.0 C A:MET12 4.9 38.1 1.0 NH2 A:ARG14 4.9 38.8 1.0 CG A:ARG14 5.0 37.9 1.0

Chlorine binding site 3 out of 4 in the Human RIOK2 Bound to Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Human RIOK2 Bound to Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl402 b:69.2 occ:1.00 OD2 C:ASP81 4.1 43.3 1.0 CD1 C:LEU124 4.2 39.8 1.0 CE2 C:TYR110 4.3 42.2 1.0 CD1 C:LEU85 4.3 45.5 1.0 CZ C:TYR110 4.3 41.7 1.0 CG1 C:VAL97 4.4 47.4 1.0 OH C:TYR110 4.6 42.9 1.0 CB C:ASP81 4.7 41.8 1.0 CD2 C:TYR110 4.7 42.1 1.0 CG C:ASP81 4.7 41.7 1.0 CE1 C:TYR110 4.9 40.6 1.0

Chlorine binding site 4 out of 4 in the Human RIOK2 Bound to Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Human RIOK2 Bound to Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl403 b:67.2 occ:1.00 OH H:TYR164 3.4 31.9 1.0 O H:MET250 3.8 33.2 1.0 CZ H:TYR164 4.3 30.9 1.0 O H:ASP297 4.4 30.8 1.0 C H:MET250 4.4 31.4 1.0 CD2 H:LEU224 4.5 26.8 1.0 CE2 H:TYR164 4.5 30.6 1.0 CB H:MET250 4.6 31.2 1.0 CA H:ASP297 4.6 28.2 1.0 CB H:ASP297 5.0 27.8 1.0

J.Wang, T.Varin, M.Vieth, J.M.Elkins. Crystal Structure of Human RIOK2 Bound to A Specific Inhibitor. Open Biology V. 9 90037 2019.
ISSN: ESSN 2046-2441
PubMed: 30991936
DOI: 10.1098/RSOB.190037