Iodine in PDB 3x1o: Crystal Structure of the Roq Domain of Human Roquin

The structure of Crystal Structure of the Roq Domain of Human Roquin, PDB code: 3x1o was solved by T.Ose, A.Verma, J.B.Cockburn, N.S.Berrow, D.Alderton, D.Stuart, R.J.Owens, E.Y.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.50 / 2.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	55.003, 78.322, 184.075, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 25.2

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 21;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of the Roq Domain of Human Roquin (pdb code 3x1o). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 21 binding sites of Iodine where determined in the Crystal Structure of the Roq Domain of Human Roquin, PDB code: 3x1o:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 21 in the Crystal Structure of the Roq Domain of Human Roquin


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 the Roq Domain of Human Roquin within 5.0Å range:

Iodine binding site 2 out of 21 in the Crystal Structure of the Roq Domain of Human Roquin


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 the Roq Domain of Human Roquin within 5.0Å range:

Iodine binding site 3 out of 21 in the Crystal Structure of the Roq Domain of Human Roquin


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 the Roq Domain of Human Roquin within 5.0Å range: probe atom residue distance (Å) B Occ A:I403 b:56.9 occ:1.00 NH2 A:ARG219 3.4 60.0 1.0 CZ A:ARG219 3.6 52.2 1.0 NE A:ARG219 3.7 53.0 1.0 CE A:MET267 4.0 26.3 1.0 SD A:MET267 4.1 41.8 1.0 CG A:MET267 4.1 33.1 1.0 O A:HOH533 4.3 32.3 1.0 NH1 A:ARG219 4.3 37.7 1.0 CB A:SER265 4.3 43.8 1.0 CE2 A:TYR250 4.4 34.2 1.0 CG1 A:VAL257 4.5 36.3 1.0 CD2 A:TYR250 4.6 32.8 1.0 CD A:ARG219 4.6 44.7 1.0 CB A:ARG219 4.6 29.3 1.0 CG2 A:VAL257 4.8 41.8 1.0

Iodine binding site 4 out of 21 in the Crystal Structure of the Roq Domain of Human Roquin


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of the Roq Domain of Human Roquin within 5.0Å range: probe atom residue distance (Å) B Occ A:I404 b:73.9 occ:1.00 NE2 A:GLN247 3.7 31.0 1.0 CD1 A:TYR250 4.0 35.5 1.0 CG A:ARG251 4.0 29.5 1.0 CE1 A:TYR250 4.1 36.1 1.0 CA A:ARG251 4.3 25.5 1.0 CB A:ARG251 4.3 24.8 1.0 CD A:ARG251 4.8 26.3 1.0 N A:ARG251 4.9 22.4 1.0 NE A:ARG251 4.9 31.4 1.0 CD A:GLN247 4.9 32.2 1.0

Iodine binding site 5 out of 21 in the Crystal Structure of the Roq Domain of Human Roquin


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of the Roq Domain of Human Roquin within 5.0Å range: probe atom residue distance (Å) B Occ A:I405 b:52.6 occ:1.00 O A:HOH570 3.1 40.1 1.0 N A:PHE194 3.5 18.4 1.0 O A:PHE194 3.5 18.8 1.0 O A:HOH586 3.6 40.2 1.0 O A:HOH575 3.7 49.2 1.0 CG A:ARG188 3.7 30.2 1.0 CB A:TRP184 3.7 23.2 1.0 NH1 A:ARG188 4.0 37.0 1.0 O A:TRP184 4.0 25.4 1.0 CA A:GLN193 4.0 24.9 1.0 CD A:ARG188 4.2 35.5 1.0 CG A:GLN193 4.2 36.3 1.0 CA A:TRP184 4.3 22.8 1.0 C A:GLN193 4.3 24.3 1.0 C A:PHE194 4.3 24.6 1.0 CG A:TRP184 4.4 28.1 1.0 CB A:GLN193 4.4 25.1 1.0 CA A:PHE194 4.4 26.5 1.0 CE3 A:TRP184 4.4 20.1 1.0 C A:TRP184 4.5 24.3 1.0 CD2 A:TRP184 4.6 19.6 1.0 CB A:PHE194 4.7 18.4 1.0 CG1 A:VAL187 4.7 14.6 1.0 O A:CYS192 4.8 26.2 1.0 CB A:VAL187 4.9 22.2 1.0 NE2 A:GLN193 4.9 27.1 1.0 CZ A:ARG188 5.0 42.6 1.0

Iodine binding site 6 out of 21 in the Crystal Structure of the Roq Domain of Human Roquin


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of the Roq Domain of Human Roquin within 5.0Å range: probe atom residue distance (Å) B Occ A:I406 b:81.6 occ:1.00 N A:GLU271 3.5 28.8 1.0 CG A:GLU271 3.9 50.0 1.0 CA A:LYS270 3.9 29.4 1.0 OE1 A:GLU271 4.1 55.9 1.0 CB A:GLU271 4.3 40.9 1.0 C A:LYS270 4.3 33.9 1.0 CD A:GLU271 4.3 56.1 1.0 CB A:LYS270 4.3 32.6 1.0 CG A:LYS270 4.4 29.5 1.0 OE2 A:GLU272 4.4 35.3 1.0 CA A:GLU271 4.5 36.6 1.0 CB A:LYS256 4.6 30.4 1.0 O A:HOH543 4.7 37.1 1.0 O A:LEU269 4.9 25.1 1.0 NH2 A:ARG274 5.0 28.7 1.0

Iodine binding site 7 out of 21 in the Crystal Structure of the Roq Domain of Human Roquin


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of the Roq Domain of Human Roquin within 5.0Å range:

Iodine binding site 8 out of 21 in the Crystal Structure of the Roq Domain of Human Roquin


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of the Roq Domain of Human Roquin within 5.0Å range: probe atom residue distance (Å) B Occ A:I408 b:62.5 occ:1.00 O A:LEU195 4.4 22.7 1.0

Iodine binding site 9 out of 21 in the Crystal Structure of the Roq Domain of Human Roquin


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Crystal Structure of the Roq Domain of Human Roquin within 5.0Å range:

Iodine binding site 10 out of 21 in the Crystal Structure of the Roq Domain of Human Roquin


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Crystal Structure of the Roq Domain of Human Roquin within 5.0Å range: probe atom residue distance (Å) B Occ A:I410 b:74.0 occ:1.00 O A:HOH607 3.3 47.9 1.0 O A:HOH539 3.7 37.7 1.0 O A:GLU271 4.7 26.4 1.0

M.Srivastava, G.Duan, N.J.Kershaw, V.Athanasopoulos, J.H.Yeo, T.Ose, D.Hu, S.H.J.Brown, S.Jergic, H.R.Patel, A.Pratama, S.Richards, A.Verma, E.Y.Jones, V.Heissmeyer, T.Preiss, N.E.Dixon, M.M.W.Chong, J.J.Babon, C.G.Vinuesa. Roquin Binds Microrna-146A and ARGONAUTE2 to Regulate Microrna Homeostasis Nat Commun V. 6 6253 2015.
ISSN: ESSN 2041-1723
PubMed: 25697406
DOI: 10.1038/NCOMMS7253