Chlorine in PDB 4ywq: Crystal Structure of the Roq Domain of Human Roquin-1

The structure of Crystal Structure of the Roq Domain of Human Roquin-1, PDB code: 4ywq was solved by A.Dong, Q.Zhang, Y.Li, W.Tempel, C.Bountra, C.H.Arrowsmith, A.M.Edwards, Y.Tong, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	171.205, 29.560, 59.926, 90.00, 101.55, 90.00
R / Rfree (%)	19.9 / 23.7

The structure of Crystal Structure of the Roq Domain of Human Roquin-1 also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of the Roq Domain of Human Roquin-1 (pdb code 4ywq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of the Roq Domain of Human Roquin-1, PDB code: 4ywq:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of the Roq Domain of Human Roquin-1


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 the Roq Domain of Human Roquin-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:27.4 occ:1.00 ZN A:ZN401 2.3 24.8 1.0 OE2 A:GLU277 3.3 21.2 1.0 ND1 A:HIS316 3.4 18.1 1.0 O A:HOH567 3.4 28.4 1.0 NH2 A:ARG281 3.4 26.6 1.0 CB A:HIS316 3.7 17.2 1.0 CA A:HIS316 3.8 17.4 1.0 CL A:CL405 3.8 31.1 1.0 CG A:HIS316 3.9 17.0 1.0 NE A:ARG281 4.0 22.8 1.0 CZ A:ARG281 4.1 24.7 1.0 CD A:GLU277 4.5 21.5 1.0 CE1 A:HIS316 4.5 18.4 1.0 N A:HIS316 4.6 17.3 1.0 C A:HIS316 4.9 17.2 1.0 O A:HIS316 4.9 17.7 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of the Roq Domain of Human Roquin-1


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 the Roq Domain of Human Roquin-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:31.1 occ:1.00 ZN A:ZN401 2.3 24.8 1.0 OE1 A:GLU277 3.6 25.7 1.0 ND1 A:HIS316 3.7 18.1 1.0 CL A:CL404 3.8 27.4 1.0 OE2 A:GLU277 3.8 21.2 1.0 CB A:HIS316 4.0 17.2 1.0 CD2 A:HIS313 4.0 20.0 1.0 CD A:GLU277 4.1 21.5 1.0 CG A:HIS316 4.1 17.0 1.0 O A:HOH525 4.1 25.1 1.0 NE2 A:HIS313 4.5 20.6 1.0 CL A:CL408 4.6 31.5 1.0 CE1 A:HIS316 4.6 18.4 1.0 O A:HOH573 4.7 29.8 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of the Roq Domain of Human Roquin-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Roq Domain of Human Roquin-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:33.4 occ:1.00 N A:GLU277 3.1 17.0 1.0 O A:HOH599 3.1 49.8 1.0 N A:TYR276 3.6 17.0 1.0 CB A:GLU277 3.7 19.0 1.0 CB A:TYR276 3.7 17.4 1.0 O A:HOH554 3.8 22.0 1.0 CA A:TYR276 3.9 16.4 1.0 C A:TYR276 3.9 16.0 1.0 CA A:GLU277 3.9 17.4 1.0 CB A:THR275 4.2 19.7 1.0 C A:THR275 4.4 17.5 1.0 OG1 A:THR275 4.6 20.0 1.0 CD2 A:TYR276 4.7 17.3 1.0 CG A:TYR276 4.7 16.8 1.0 CA A:THR275 4.8 19.0 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of the Roq Domain of Human Roquin-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Roq Domain of Human Roquin-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:34.2 occ:1.00 N A:SER315 3.4 18.0 1.0 N A:LYS314 3.4 17.5 1.0 O A:SER312 3.6 20.6 1.0 CL A:CL408 3.6 31.5 1.0 OG A:SER315 3.6 20.9 0.5 C A:SER312 3.7 20.3 1.0 CB A:LYS314 3.8 20.6 1.0 CA A:LYS314 3.9 18.1 1.0 CB A:SER315 4.0 17.7 0.5 CB A:SER315 4.0 19.7 0.5 N A:HIS313 4.1 18.9 1.0 C A:LYS314 4.1 18.4 1.0 C A:HIS313 4.2 17.5 1.0 O A:GLN311 4.2 28.5 1.0 CA A:SER312 4.3 22.8 1.0 CA A:SER315 4.3 17.8 0.5 CA A:SER315 4.3 18.7 0.5 CA A:HIS313 4.4 17.7 1.0 CG A:LYS314 4.6 23.6 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of the Roq Domain of Human Roquin-1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Roq Domain of Human Roquin-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl408 b:31.5 occ:1.00 N A:HIS316 2.9 17.3 1.0 O A:SER312 3.3 20.6 1.0 CA A:HIS313 3.4 17.7 1.0 CB A:HIS316 3.4 17.2 1.0 N A:SER315 3.5 18.0 1.0 CL A:CL407 3.6 34.2 1.0 C A:HIS313 3.6 17.5 1.0 CB A:SER315 3.6 19.7 0.5 CB A:SER315 3.7 17.7 0.5 CA A:HIS316 3.8 17.4 1.0 C A:SER315 3.8 18.0 1.0 CA A:SER315 3.8 18.7 0.5 CA A:SER315 3.8 17.8 0.5 O A:HIS313 3.9 16.1 1.0 N A:LYS314 4.0 17.5 1.0 C A:SER312 4.1 20.3 1.0 N A:HIS313 4.2 18.9 1.0 OG A:SER315 4.4 20.9 0.5 C A:LYS314 4.4 18.4 1.0 CB A:HIS313 4.5 18.0 1.0 CL A:CL405 4.6 31.1 1.0 OG A:SER315 4.7 16.3 0.5 CA A:LYS314 4.8 18.1 1.0 CG A:HIS316 4.9 17.0 1.0 CG A:HIS313 4.9 19.6 1.0 O A:SER315 4.9 19.8 1.0

Q.Zhang, A.Dong, Y.Li, W.Tempel, C.Bountra, C.H.Arrowsmith, A.M.Edwards, Y.Tong. Crystal Structure of the Roq Domain of Human Roquin-1 To Be Published.