Iodine in PDB 1ue2: Crystal Structure of D(GC38GAAAGCT)

The structure of Crystal Structure of D(GC38GAAAGCT), PDB code: 1ue2 was solved by T.Sunami, J.Kondo, I.Hirao, K.Watanaba, K.Miura, A.Takenaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.40
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	36.736, 36.736, 64.754, 90.00, 90.00, 120.00
R / Rfree (%)	20.9 / 23.6

The structure of Crystal Structure of D(GC38GAAAGCT) also contains other interesting chemical elements:

Cobalt	(Co)	1 atom
Magnesium	(Mg)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Iodine atom in the Crystal Structure of D(GC38GAAAGCT) (pdb code 1ue2). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structure of D(GC38GAAAGCT), PDB code: 1ue2:

Iodine binding site 1 out of 1 in the Crystal Structure of D(GC38GAAAGCT)


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 D(GC38GAAAGCT) within 5.0Å range: probe atom residue distance (Å) B Occ A:I2 b:17.3 occ:1.00 I A:C382 0.0 17.3 1.0 C5 A:C382 2.1 12.9 1.0 C6 A:C382 3.0 13.6 1.0 C4 A:C382 3.1 14.2 1.0 N4 A:C382 3.3 16.2 1.0 C8 A:DG1 3.6 18.6 1.0 O6 A:DG3 3.8 16.7 1.0 C6 A:DG3 3.8 16.6 1.0 N7 A:DG1 3.9 20.6 1.0 N1 A:DG3 4.0 16.3 1.0 C2' A:DG1 4.2 19.4 1.0 N9 A:DG1 4.2 20.0 1.0 N1 A:C382 4.3 16.6 1.0 N3 A:C382 4.4 16.7 1.0 C5 A:DG3 4.4 14.8 1.0 O A:HOH779 4.5 17.6 1.0 C5 A:DG1 4.6 18.6 1.0 C1' A:DG1 4.7 20.0 1.0 C4 A:DG1 4.8 18.9 1.0 O A:HOH781 4.8 27.0 1.0 C2 A:DG3 4.8 17.1 1.0 O A:HOH807 4.8 31.3 1.0 C2 A:C382 4.9 16.9 1.0

T.Sunami, J.Kondo, I.Hirao, K.Watanabe, K.I.Miura, A.Takenaka. Structure of D(Gcgaaagc) (Hexagonal Form): A Base-Intercalated Duplex As A Stable Structure. Acta Crystallogr.,Sect.D V. 60 90 2004.
ISSN: ISSN 0907-4449
PubMed: 14684897
DOI: 10.1107/S0907444903024703