Chlorine in PDB 4i9y: Structure of the C-Terminal Domain of NUP358

The structure of Structure of the C-Terminal Domain of NUP358, PDB code: 4i9y was solved by D.H.Lin, S.Zimmermann, T.Stuwe, E.Stuwe, A.Hoelz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.57 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	104.062, 97.132, 108.151, 90.00, 117.38, 90.00
R / Rfree (%)	12.3 / 15.8

The binding sites of Chlorine atom in the Structure of the C-Terminal Domain of NUP358 (pdb code 4i9y). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Structure of the C-Terminal Domain of NUP358, PDB code: 4i9y:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Structure of the C-Terminal Domain of NUP358


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the C-Terminal Domain of NUP358 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:19.9 occ:0.84 HE2 A:HIS0 2.2 21.4 1.0 NE2 A:HIS0 3.1 17.8 1.0 O A:HOH525 3.2 41.5 1.0 HE3 A:MET1 3.7 0.0 0.2 O A:HOH575 3.7 25.4 0.7 HE1 A:HIS0 3.8 21.5 1.0 CE1 A:HIS0 3.9 17.9 1.0 CD2 A:HIS0 4.2 16.6 1.0 HD2 A:HIS0 4.3 20.0 1.0 O A:HOH527 4.4 42.8 1.0 CE A:MET1 4.5 89.2 0.2 HE1 A:MET1 4.5 0.0 0.2 O A:HOH526 4.5 47.6 1.0 HE2 A:MET1 4.8 0.0 0.2 H32 A:GOL202 5.0 35.3 1.0

Chlorine binding site 2 out of 6 in the Structure of the C-Terminal Domain of NUP358


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the C-Terminal Domain of NUP358 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl205 b:20.8 occ:0.84 HE2 B:HIS0 2.3 20.8 1.0 O D:HOH433 2.9 43.7 1.0 O D:HOH318 3.0 22.6 1.0 HE2 D:MET136 3.0 22.3 1.0 O B:HOH421 3.0 46.6 1.0 NE2 B:HIS0 3.1 17.4 1.0 HG2 D:PRO95 3.2 15.5 1.0 HB2 D:PRO95 3.3 15.2 1.0 HD3 D:LYS140 3.3 21.5 1.0 HB3 D:PRO95 3.4 15.2 1.0 HG2 D:MET136 3.5 21.9 1.0 O B:HOH562 3.6 30.1 0.6 CB D:PRO95 3.6 12.7 1.0 HE2 B:MET1 3.7 0.2 0.3 HZ3 D:LYS140 3.8 22.1 1.0 HE1 B:HIS0 3.8 22.2 1.0 CE D:MET136 3.8 18.6 1.0 CG D:PRO95 3.8 12.9 1.0 CE1 B:HIS0 3.9 18.5 1.0 HE3 D:MET136 3.9 22.3 1.0 HE2 D:LYS140 3.9 24.6 1.0 HG3 D:MET136 3.9 21.9 1.0 CG D:MET136 4.1 18.2 1.0 HG3 D:PRO95 4.1 15.5 1.0 CD D:LYS140 4.2 17.9 1.0 CD2 B:HIS0 4.2 15.6 1.0 O B:HOH518 4.3 51.5 1.0 HD2 B:HIS0 4.4 18.7 1.0 CE D:LYS140 4.4 20.5 1.0 NZ D:LYS140 4.5 18.4 1.0 CE B:MET1 4.5 84.3 0.3 HE1 D:MET136 4.5 22.3 1.0 O B:HOH534 4.5 45.5 1.0 HE3 B:MET1 4.5 0.2 0.3 O D:HOH308 4.5 19.8 1.0 HG3 D:LYS140 4.6 20.8 1.0 HG2 D:LYS140 4.7 20.8 1.0 SD D:MET136 4.7 18.1 1.0 CG D:LYS140 4.8 17.3 1.0 HE1 B:MET1 4.8 0.2 0.3 HD2 D:LYS140 4.9 21.5 1.0 HZ1 D:LYS140 4.9 22.1 1.0 H32 B:GOL204 4.9 53.5 0.8

Chlorine binding site 3 out of 6 in the Structure of the C-Terminal Domain of NUP358


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the C-Terminal Domain of NUP358 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl203 b:19.0 occ:0.73 HE2 C:HIS0 2.2 25.3 1.0 NE2 C:HIS0 3.1 21.1 1.0 HE1 C:HIS0 3.8 26.0 1.0 CE1 C:HIS0 3.8 21.7 1.0 CD2 C:HIS0 4.1 19.4 1.0 HD2 C:HIS0 4.3 23.3 1.0 H32 C:GOL202 4.9 38.4 0.8

Chlorine binding site 4 out of 6 in the Structure of the C-Terminal Domain of NUP358


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the C-Terminal Domain of NUP358 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl205 b:30.3 occ:0.72 HE2 D:HIS0 2.1 28.1 1.0 O B:HOH361 2.7 25.1 1.0 NE2 D:HIS0 2.9 23.4 1.0 O B:HOH527 3.1 54.2 1.0 HE2 B:MET136 3.1 30.4 1.0 HB2 B:PRO95 3.2 15.9 1.0 HE2 D:MET1 3.3 57.9 1.0 HD3 B:LYS140 3.3 43.3 1.0 HG2 B:PRO95 3.3 17.3 1.0 HB3 B:PRO95 3.5 15.9 1.0 HZ3 B:LYS140 3.5 47.0 1.0 HE1 D:HIS0 3.5 29.6 1.0 HG2 B:MET136 3.6 28.9 1.0 CE1 D:HIS0 3.6 24.7 1.0 CB B:PRO95 3.7 13.3 1.0 HG3 B:MET136 3.7 28.9 1.0 HE3 B:MET136 3.8 30.4 1.0 CG B:PRO95 3.9 14.4 1.0 CE B:MET136 3.9 25.4 1.0 HE2 B:LYS140 3.9 47.9 1.0 CE D:MET1 3.9 48.2 1.0 HE3 D:MET1 4.0 57.9 1.0 HE1 D:MET1 4.1 57.9 1.0 CD2 D:HIS0 4.1 23.5 1.0 CG B:MET136 4.1 24.1 1.0 CD B:LYS140 4.1 36.1 1.0 HG3 B:PRO95 4.2 17.3 1.0 NZ B:LYS140 4.2 39.1 1.0 CE B:LYS140 4.3 39.9 1.0 HD2 D:HIS0 4.3 28.2 1.0 HE1 B:MET136 4.6 30.4 1.0 HZ1 B:LYS140 4.7 47.0 1.0 O B:HOH318 4.7 12.7 0.3 H31 D:GOL203 4.8 35.6 0.6 HG2 B:LYS140 4.8 36.2 1.0 HD2 B:LYS140 4.8 43.3 1.0 HG3 B:LYS140 4.8 36.2 1.0 HZ2 B:LYS140 4.8 47.0 1.0 SD B:MET136 4.8 22.8 1.0 ND1 D:HIS0 4.9 24.5 1.0 CG B:LYS140 4.9 30.2 1.0 O D:HOH534 5.0 33.9 1.0 O B:HOH521 5.0 58.4 1.0

Chlorine binding site 5 out of 6 in the Structure of the C-Terminal Domain of NUP358


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of the C-Terminal Domain of NUP358 within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl202 b:24.0 occ:0.78 HE2 E:HIS0 2.1 27.4 1.0 O F:HOH334 2.9 25.9 1.0 HE2 F:MET136 3.0 24.6 1.0 NE2 E:HIS0 3.0 22.8 1.0 HD3 F:LYS140 3.1 27.8 1.0 HB2 F:PRO95 3.3 18.7 1.0 HG2 F:PRO95 3.3 21.1 1.0 HE2 E:MET1 3.4 84.1 1.0 HE3 E:MET1 3.4 84.1 1.0 HB3 F:PRO95 3.5 18.7 1.0 HG2 F:MET136 3.6 25.6 1.0 HZ1 F:LYS140 3.6 27.4 1.0 HE1 E:MET1 3.6 84.1 1.0 CE E:MET1 3.6 70.1 1.0 CB F:PRO95 3.7 15.6 1.0 HE2 F:LYS140 3.7 29.6 1.0 HE1 E:HIS0 3.8 26.1 1.0 HE3 F:MET136 3.8 24.6 1.0 CE F:MET136 3.8 20.5 1.0 CE1 E:HIS0 3.8 21.8 1.0 HG3 F:MET136 3.9 25.6 1.0 CG F:PRO95 3.9 17.6 1.0 CD F:LYS140 4.0 23.1 1.0 CD2 E:HIS0 4.1 20.3 1.0 CG F:MET136 4.2 21.3 1.0 CE F:LYS140 4.2 24.6 1.0 HD2 E:HIS0 4.2 24.3 1.0 HG3 F:PRO95 4.2 21.1 1.0 NZ F:LYS140 4.3 22.9 1.0 HE1 F:MET136 4.5 24.6 1.0 HG3 F:LYS140 4.5 24.9 1.0 O F:HOH342 4.6 26.7 1.0 HG2 F:LYS140 4.7 24.9 1.0 HD2 F:LYS140 4.7 27.8 1.0 CG F:LYS140 4.7 20.7 1.0 HZ2 F:LYS140 4.7 27.4 1.0 SD F:MET136 4.8 20.6 1.0 O E:HOH340 4.9 22.6 1.0 H32 E:GOL201 4.9 39.3 0.9 HZ3 F:LYS140 4.9 27.4 1.0 ND1 E:HIS0 5.0 21.0 1.0

Chlorine binding site 6 out of 6 in the Structure of the C-Terminal Domain of NUP358


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of the C-Terminal Domain of NUP358 within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl203 b:35.6 occ:1.00 HE2 F:HIS0 2.1 30.8 1.0 O E:HOH368 2.8 31.7 1.0 NE2 F:HIS0 3.0 25.7 1.0 HE2 E:MET136 3.0 29.0 1.0 HE1 F:MET1 3.2 0.3 1.0 HB2 E:PRO95 3.3 21.2 1.0 HD3 E:LYS140 3.3 40.0 1.0 HG2 E:PRO95 3.3 20.8 1.0 HG2 E:MET136 3.5 29.2 1.0 HE2 F:MET1 3.5 0.3 1.0 HB3 E:PRO95 3.5 21.2 1.0 O E:HOH541 3.5 48.6 1.0 HZ3 E:LYS140 3.6 38.8 1.0 CE F:MET1 3.6 0.9 1.0 HE3 F:MET1 3.7 0.3 1.0 CB E:PRO95 3.7 17.6 1.0 HE1 F:HIS0 3.8 31.8 1.0 CE1 F:HIS0 3.8 26.5 1.0 HE3 E:MET136 3.9 29.0 1.0 CE E:MET136 3.9 24.2 1.0 HG3 E:MET136 3.9 29.2 1.0 CG E:PRO95 3.9 17.4 1.0 HE2 E:LYS140 4.0 42.1 1.0 CD2 F:HIS0 4.0 24.2 1.0 CG E:MET136 4.1 24.3 1.0 CD E:LYS140 4.1 33.3 1.0 HD2 F:HIS0 4.2 29.1 1.0 HG3 E:PRO95 4.3 20.8 1.0 NZ E:LYS140 4.3 32.4 1.0 CE E:LYS140 4.3 35.1 1.0 HE1 E:MET136 4.5 29.0 1.0 O E:HOH381 4.6 32.5 1.0 HG3 E:LYS140 4.7 36.8 1.0 HG2 E:LYS140 4.8 36.8 1.0 HZ1 E:LYS140 4.8 38.8 1.0 O F:HOH347 4.8 24.7 1.0 SD E:MET136 4.8 22.2 1.0 HD2 E:LYS140 4.8 40.0 1.0 CG E:LYS140 4.8 30.7 1.0 HZ2 E:LYS140 4.9 38.8 1.0 O E:LEU116 4.9 21.5 1.0 ND1 F:HIS0 5.0 25.8 1.0

D.H.Lin, S.Zimmermann, T.Stuwe, E.Stuwe, A.Hoelz. Structural and Functional Analysis of the C-Terminal Domain of NUP358/RANBP2. J.Mol.Biol. V. 425 1318 2013.
ISSN: ISSN 0022-2836
PubMed: 23353830
DOI: 10.1016/J.JMB.2013.01.021