Iodine in PDB 5hb7: Crystal Structure of Chaetomium Thermophilum NUP53 Rrm

The structure of Crystal Structure of Chaetomium Thermophilum NUP53 Rrm, PDB code: 5hb7 was solved by D.H.Lin, T.Stuwe, A.Hoelz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.59 / 0.82
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.990, 50.370, 60.030, 90.00, 90.00, 90.00
R / Rfree (%)	11.8 / 13.2

The binding sites of Iodine atom in the Crystal Structure of Chaetomium Thermophilum NUP53 Rrm (pdb code 5hb7). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Crystal Structure of Chaetomium Thermophilum NUP53 Rrm, PDB code: 5hb7:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Crystal Structure of Chaetomium Thermophilum NUP53 Rrm


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Chaetomium Thermophilum NUP53 Rrm within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:11.8 occ:0.60 HG2 A:MET203 3.3 11.8 1.0 HB3 A:PRO244 3.3 13.8 1.0 HH2 A:TRP208 3.5 10.4 1.0 O A:HOH609 3.5 30.7 1.0 HB3 A:MET203 3.5 10.5 1.0 HE2 A:MET203 3.6 17.9 1.0 HG3 A:PRO244 3.7 15.4 1.0 HD3 A:PRO244 3.7 13.3 1.0 O A:HOH546 3.7 20.1 1.0 O A:HOH412 3.9 15.3 1.0 CG A:MET203 3.9 9.8 1.0 SD A:MET203 4.1 11.6 1.0 CB A:PRO244 4.2 11.5 1.0 CB A:MET203 4.2 8.8 1.0 CG A:PRO244 4.2 12.8 1.0 CE A:MET203 4.3 14.9 1.0 CH2 A:TRP208 4.4 8.7 1.0 CD A:PRO244 4.4 11.1 1.0 HA A:MET203 4.5 9.5 1.0 HZ2 A:TRP208 4.5 10.1 1.0 HE1 A:MET203 4.8 17.9 1.0 HB2 A:PRO244 4.8 13.8 1.0 HG3 A:MET203 4.8 11.8 1.0 CZ2 A:TRP208 4.9 8.4 1.0 CA A:MET203 4.9 8.0 1.0 N A:PRO244 5.0 9.6 1.0 HB2 A:MET203 5.0 10.5 1.0 HA A:PRO244 5.0 11.7 1.0

Iodine binding site 2 out of 3 in the Crystal Structure of Chaetomium Thermophilum NUP53 Rrm


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of Chaetomium Thermophilum NUP53 Rrm within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:16.7 occ:0.13 O A:HOH533 1.8 31.0 0.8 H A:GLN247 3.0 13.1 0.4 H A:GLN247 3.0 12.6 0.6 HB2 A:GLN247 3.1 15.2 0.6 HB2 A:GLN247 3.2 17.7 0.4 O A:HOH417 3.4 19.8 1.0 OE1 A:GLN247 3.5 21.7 0.4 HG2 A:GLN247 3.6 15.7 0.6 O A:HOH510 3.6 30.8 1.0 H A:ALA246 3.6 14.6 1.0 HB3 A:PRO245 3.6 16.3 1.0 N A:GLN247 3.8 10.5 0.6 N A:GLN247 3.8 10.9 0.4 CB A:GLN247 3.9 12.6 0.6 O A:GLN247 3.9 12.1 0.6 HB3 A:ALA246 3.9 17.2 1.0 CG A:GLN247 4.1 13.1 0.6 N A:ALA246 4.1 12.1 1.0 CB A:GLN247 4.1 14.8 0.4 O A:GLN247 4.1 10.0 0.4 HD2 A:ARG139 4.1 10.3 1.0 HB2 A:PRO245 4.2 16.3 1.0 HG3 A:GLN247 4.2 15.7 0.6 CB A:PRO245 4.3 13.6 1.0 CA A:GLN247 4.3 10.9 0.6 CA A:GLN247 4.4 11.3 0.4 HA A:PRO245 4.5 14.2 1.0 CD A:GLN247 4.6 20.3 0.4 NE A:ARG139 4.6 9.7 1.0 C A:GLN247 4.6 10.8 0.6 HB3 A:GLN247 4.6 15.2 0.6 CD A:ARG139 4.7 8.6 1.0 HB3 A:GLN247 4.7 17.7 0.4 HD3 A:ARG139 4.7 10.3 1.0 CZ A:ARG139 4.7 10.4 1.0 C A:GLN247 4.7 9.2 0.4 C A:ALA246 4.7 11.5 1.0 CA A:PRO245 4.7 11.8 1.0 CB A:ALA246 4.7 14.3 1.0 C A:PRO245 4.7 11.2 1.0 CA A:ALA246 4.7 12.7 1.0 HE A:ARG139 4.7 11.6 1.0 HH21 A:ARG139 4.8 13.5 1.0 NH2 A:ARG139 4.8 11.2 1.0 CG A:GLN247 4.9 17.7 0.4 O A:HOH524 5.0 10.4 1.0

Iodine binding site 3 out of 3 in the Crystal Structure of Chaetomium Thermophilum NUP53 Rrm


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of Chaetomium Thermophilum NUP53 Rrm within 5.0Å range: probe atom residue distance (Å) B Occ A:I303 b:18.1 occ:0.12 HE A:ARG175 2.7 37.1 1.0 HH11 A:ARG175 2.8 40.4 1.0 O A:HOH550 3.1 29.2 1.0 O A:HOH482 3.4 22.0 1.0 NE A:ARG175 3.4 30.9 1.0 NH1 A:ARG175 3.5 33.6 1.0 O A:HOH427 3.6 30.3 1.0 CZ A:ARG175 3.9 32.7 1.0 HH12 A:ARG175 4.2 40.4 1.0 HG3 A:ARG175 4.2 29.1 1.0 HB3 A:ARG188 4.5 21.1 1.0 HD3 A:ARG188 4.5 41.3 1.0 CD A:ARG175 4.6 27.8 1.0 HG1 A:THR186 4.7 14.1 1.0 CG A:ARG175 4.8 24.2 1.0 HD2 A:ARG175 4.8 33.4 1.0 HG2 A:ARG175 4.8 29.1 1.0

D.H.Lin, T.Stuwe, S.Schilbach, E.J.Rundlet, T.Perriches, G.Mobbs, Y.Fan, K.Thierbach, F.M.Huber, L.N.Collins, A.M.Davenport, Y.E.Jeon, A.Hoelz. Architecture of the Symmetric Core of the Nuclear Pore. Science V. 352 F1015 2016.
ISSN: ESSN 1095-9203
PubMed: 27081075
DOI: 10.1126/SCIENCE.AAF1015