Iodine in PDB 1v1f: Structure of the Arabidopsis Thaliana SOS3 Complexed with Calcium(II) and Manganese(II) Ions

The structure of Structure of the Arabidopsis Thaliana SOS3 Complexed with Calcium(II) and Manganese(II) Ions, PDB code: 1v1f was solved by M.J.Sanchez-Barrena, M.Martinez-Ripoll, J.K.Zhu, A.Albert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.00
Space group	I 41
Cell size a, b, c (Å), α, β, γ (°)	91.900, 91.900, 85.600, 90.00, 90.00, 90.00
R / Rfree (%)	23.7 / 26.2

The structure of Structure of the Arabidopsis Thaliana SOS3 Complexed with Calcium(II) and Manganese(II) Ions also contains other interesting chemical elements:

Manganese	(Mn)	1 atom
Calcium	(Ca)	3 atoms

The binding sites of Iodine atom in the Structure of the Arabidopsis Thaliana SOS3 Complexed with Calcium(II) and Manganese(II) Ions (pdb code 1v1f). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 7 binding sites of Iodine where determined in the Structure of the Arabidopsis Thaliana SOS3 Complexed with Calcium(II) and Manganese(II) Ions, PDB code: 1v1f:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7;

Iodine binding site 1 out of 7 in the Structure of the Arabidopsis Thaliana SOS3 Complexed with Calcium(II) and Manganese(II) Ions


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of the Arabidopsis Thaliana SOS3 Complexed with Calcium(II) and Manganese(II) Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:I1203 b:84.2 occ:1.00 CG A:GLN163 3.6 59.8 1.0 CB A:GLN163 3.9 57.1 1.0 O A:HOH2040 4.0 60.1 1.0 CE1 A:PHE180 4.2 46.0 1.0 NZ A:LYS159 4.2 54.4 1.0 CA A:ALA160 4.3 49.5 1.0 OD1 A:ASN184 4.4 39.3 1.0 O A:LYS159 4.4 49.9 1.0 ND2 A:ASN184 4.6 39.8 1.0 N A:ALA160 4.7 49.6 1.0 C A:LYS159 4.7 49.6 1.0 C5 A:MPD1212 4.7 79.6 1.0 CG A:LYS159 4.8 50.4 1.0 CE A:LYS159 4.8 56.0 1.0 CZ A:PHE180 4.8 45.7 1.0 CB A:ALA160 4.9 48.9 1.0 CG A:ASN184 4.9 41.7 1.0

Iodine binding site 2 out of 7 in the Structure of the Arabidopsis Thaliana SOS3 Complexed with Calcium(II) and Manganese(II) Ions


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of the Arabidopsis Thaliana SOS3 Complexed with Calcium(II) and Manganese(II) Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:I1204 b:84.5 occ:1.00 CD A:PRO30 3.9 53.8 1.0 CD A:PRO108 4.0 50.4 1.0 CG A:GLU111 4.1 55.4 1.0 CB A:ALA107 4.1 52.2 1.0 O A:HOH2006 4.2 44.6 1.0 CG2 A:VAL102 4.3 46.0 1.0 O A:GLY101 4.3 46.5 1.0 CG A:PRO30 4.5 53.4 1.0 CG A:PRO108 4.5 49.4 1.0 CA A:ALA107 4.5 52.1 1.0 CB A:GLU111 4.5 51.5 1.0 C A:GLY101 4.5 46.5 1.0 CA A:VAL102 4.5 46.0 1.0 N A:VAL102 4.6 46.0 1.0 O A:VAL28 4.8 52.7 1.0 CM A:MPD1211 4.9 73.0 1.0 N A:PRO108 4.9 50.8 1.0

Iodine binding site 3 out of 7 in the Structure of the Arabidopsis Thaliana SOS3 Complexed with Calcium(II) and Manganese(II) Ions


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure of the Arabidopsis Thaliana SOS3 Complexed with Calcium(II) and Manganese(II) Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:I1205 b:0.0 occ:1.00 CB A:PRO194 3.4 65.2 1.0 CG A:PRO194 3.8 64.6 1.0 CA A:PRO194 4.3 65.6 1.0 CG A:PRO105 4.4 52.2 1.0 CB A:PRO105 4.6 52.4 1.0 OG1 A:THR192 4.8 51.6 1.0

Iodine binding site 4 out of 7 in the Structure of the Arabidopsis Thaliana SOS3 Complexed with Calcium(II) and Manganese(II) Ions


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Structure of the Arabidopsis Thaliana SOS3 Complexed with Calcium(II) and Manganese(II) Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:I1206 b:0.8 occ:1.00 CG A:LYS114 3.4 54.2 1.0 CE A:LYS114 3.9 62.2 1.0 CD A:LYS114 4.0 61.3 1.0 CD1 A:ILE174 4.0 53.0 1.0 NZ A:LYS114 4.3 62.6 1.0 CE A:LYS118 4.3 59.1 1.0 CG1 A:ILE174 4.3 54.2 1.0 CG A:LYS118 4.4 54.3 1.0 CD2 A:PHE117 4.6 50.5 1.0 CB A:ILE174 4.6 55.4 1.0 CB A:LYS114 4.7 50.4 1.0 CD A:LYS118 4.7 56.9 1.0 O A:LYS114 4.8 48.1 1.0 CG2 A:ILE174 4.9 55.0 1.0 CA A:LYS114 5.0 49.4 1.0

Iodine binding site 5 out of 7 in the Structure of the Arabidopsis Thaliana SOS3 Complexed with Calcium(II) and Manganese(II) Ions


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Structure of the Arabidopsis Thaliana SOS3 Complexed with Calcium(II) and Manganese(II) Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:I1213 b:86.3 occ:1.00 CD1 A:ILE188 3.9 41.2 1.0 CB A:PRO185 4.2 43.4 1.0 CG1 A:ILE188 4.4 42.6 1.0 CG2 A:VAL109 4.5 48.6 1.0 O A:PRO185 4.5 45.1 1.0 CA A:PRO185 5.0 44.0 1.0

Iodine binding site 6 out of 7 in the Structure of the Arabidopsis Thaliana SOS3 Complexed with Calcium(II) and Manganese(II) Ions


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Structure of the Arabidopsis Thaliana SOS3 Complexed with Calcium(II) and Manganese(II) Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:I1214 b:83.9 occ:1.00 CD A:LYS178 3.4 56.2 1.0 CA A:HIS110 4.1 51.8 1.0 CG A:LYS178 4.2 50.8 1.0 CG2 A:VAL113 4.3 45.3 1.0 ND1 A:HIS110 4.3 63.4 1.0 NZ A:LYS178 4.5 61.5 1.0 N A:HIS110 4.5 50.6 1.0 CE A:LYS178 4.6 59.4 1.0 CB A:HIS110 4.6 53.0 1.0 CB A:VAL113 4.6 47.3 1.0 O A:VAL109 4.6 48.8 1.0 C A:VAL109 4.8 49.5 1.0 CG1 A:VAL113 4.9 45.9 1.0 CG A:HIS110 4.9 58.5 1.0

Iodine binding site 7 out of 7 in the Structure of the Arabidopsis Thaliana SOS3 Complexed with Calcium(II) and Manganese(II) Ions


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Structure of the Arabidopsis Thaliana SOS3 Complexed with Calcium(II) and Manganese(II) Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:I1215 b:97.2 occ:1.00 CG A:MET156 3.9 52.9 1.0 C5 A:MPD1212 3.9 79.6 1.0 CD A:LYS159 4.1 53.0 1.0 O4 A:MPD1212 4.5 81.8 1.0 C4 A:MPD1212 4.5 81.2 1.0 CA A:MET156 4.6 52.2 1.0 CG1 A:VAL155 4.7 55.0 1.0 CB A:MET156 4.8 52.5 1.0 CE A:MET156 4.8 51.4 1.0 CE A:LYS159 4.9 56.0 1.0 NZ A:LYS159 4.9 54.4 1.0

M.J.Sanchez-Barrena, M.Martinez-Ripoll, J.K.Zhu, A.Albert. The Structure of the Arabidopsis Thaliana SOS3: Molecular Mechanism of Sensing Calcium For Salt Stress Response J.Mol.Biol. V. 345 1253 2005.
ISSN: ISSN 0022-2836
PubMed: 15644219
DOI: 10.1016/J.JMB.2004.11.025