Iodine in PDB 3hot: Crystal Structure of the MOS1 Mariner Paired End Complex with Mn

The structure of Crystal Structure of the MOS1 Mariner Paired End Complex with Mn, PDB code: 3hot was solved by J.M.Richardson, M.D.Walkinshaw, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.87 / 3.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	120.294, 84.989, 132.116, 90.00, 99.21, 90.00
R / Rfree (%)	24.8 / 30.4

The structure of Crystal Structure of the MOS1 Mariner Paired End Complex with Mn also contains other interesting chemical elements:

Manganese

(Mn)

1 atom

The binding sites of Iodine atom in the Crystal Structure of the MOS1 Mariner Paired End Complex with Mn (pdb code 3hot). 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 the MOS1 Mariner Paired End Complex with Mn, PDB code: 3hot:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Crystal Structure of the MOS1 Mariner Paired End Complex with Mn


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 MOS1 Mariner Paired End Complex with Mn within 5.0Å range: probe atom residue distance (Å) B Occ C:I16 b:1.0 occ:1.00 I5 C:5IU16 0.0 1.0 1.0 C5 C:5IU16 2.2 92.8 1.0 C6 C:5IU16 3.2 87.4 1.0 C4 C:5IU16 3.3 89.5 1.0 O4 C:5IU16 3.6 88.6 1.0 C8 C:DA15 4.2 61.8 1.0 C2' C:DA15 4.3 62.2 1.0 O6 C:DG17 4.4 44.9 1.0 N7 C:DA15 4.5 60.7 1.0 N1 C:5IU16 4.5 79.0 1.0 N9 C:DA15 4.6 62.3 1.0 N3 C:5IU16 4.6 83.9 1.0 C5' C:DA15 4.6 65.0 1.0 C3' C:DA15 4.7 63.0 1.0 C5 C:DA15 4.9 60.4 1.0 C4 C:DA15 5.0 61.1 1.0

Iodine binding site 2 out of 3 in the Crystal Structure of the MOS1 Mariner Paired End Complex with Mn


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 MOS1 Mariner Paired End Complex with Mn within 5.0Å range: probe atom residue distance (Å) B Occ E:I16 b:0.6 occ:1.00 I5 E:5IU16 0.0 0.6 1.0 C5 E:5IU16 2.2 91.1 1.0 C6 E:5IU16 3.2 85.8 1.0 C4 E:5IU16 3.3 87.8 1.0 O4 E:5IU16 3.5 87.0 1.0 C8 E:DA15 3.7 60.8 1.0 N7 E:DA15 4.0 59.9 1.0 N9 E:DA15 4.3 61.7 1.0 OP2 E:DA15 4.4 72.3 1.0 N1 E:5IU16 4.5 77.4 1.0 N3 E:5IU16 4.5 82.2 1.0 C3' E:DA15 4.6 63.0 1.0 C2' E:DA15 4.7 62.2 1.0 O4' E:DA15 4.7 63.2 1.0 C5 E:DA15 4.8 60.5 1.0 C1' E:DA15 4.8 62.3 1.0 C4 E:DA15 4.9 61.5 1.0

Iodine binding site 3 out of 3 in the Crystal Structure of the MOS1 Mariner Paired End Complex with Mn


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 MOS1 Mariner Paired End Complex with Mn within 5.0Å range: probe atom residue distance (Å) B Occ G:I16 b:0.0 occ:1.00 I5 G:5IU16 0.0 0.0 1.0 C5 G:5IU16 2.1 0.8 1.0 C6 G:5IU16 3.0 0.2 1.0 C4 G:5IU16 3.2 0.2 1.0 O4 G:5IU16 3.3 0.9 1.0 N9 G:DA15 3.9 92.3 1.0 C8 G:DA15 4.0 92.1 1.0 C4 G:DA15 4.0 92.2 1.0 C5 G:DA15 4.0 92.1 1.0 N7 G:DA15 4.0 92.0 1.0 C2' G:DA15 4.1 93.0 1.0 C3' G:DA15 4.2 93.7 1.0 N7 G:DG17 4.2 0.7 1.0 N1 G:5IU16 4.2 0.9 1.0 N3 G:5IU16 4.4 0.5 1.0 N3 G:DA15 4.5 92.2 1.0 C1' G:DA15 4.6 92.5 1.0 C5 G:DG17 4.6 0.7 1.0 C6 G:DA15 4.6 92.0 1.0 C8 G:DG17 4.6 1.0 1.0 OP2 G:5IU16 4.7 0.6 1.0 C2 G:5IU16 4.8 0.9 1.0 O3' G:DA15 5.0 97.4 1.0 C6 G:DG17 5.0 0.7 1.0 C2 G:DA15 5.0 92.0 1.0

J.M.Richardson, S.D.Colloms, D.J.Finnegan, M.D.Walkinshaw. Molecular Architecture of the MOS1 Paired-End Complex: the Structural Basis of Dna Transposition in A Eukaryote Cell(Cambridge,Mass.) V. 138 1096 2009.
ISSN: ISSN 0092-8674
PubMed: 19766564
DOI: 10.1016/J.CELL.2009.07.012