Iodine in PDB 1k61: MATALPHA2 Homeodomain Bound to Dna

The structure of MATALPHA2 Homeodomain Bound to Dna, PDB code: 1k61 was solved by J.Aishima, R.K.Gitti, J.E.Noah, H.H.Gan, T.Schlick, C.Wolberger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	16.01 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.940, 70.240, 68.290, 90.00, 105.42, 90.00
R / Rfree (%)	22.1 / 27.7

The binding sites of Iodine atom in the MATALPHA2 Homeodomain Bound to Dna (pdb code 1k61). 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 MATALPHA2 Homeodomain Bound to Dna, PDB code: 1k61:

Iodine binding site 1 out of 1 in the MATALPHA2 Homeodomain Bound to Dna


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of MATALPHA2 Homeodomain Bound to Dna within 5.0Å range: probe atom residue distance (Å) B Occ F:I22 b:34.9 occ:1.00 I5 F:5IU22 0.0 34.9 1.0 C5 F:5IU22 2.1 32.0 1.0 C6 F:5IU22 3.0 31.9 1.0 C4 F:5IU22 3.1 33.9 1.0 O4 F:5IU22 3.3 30.7 1.0 OG C:SER181 3.6 29.1 1.0 NE C:ARG185 3.7 47.9 1.0 NH2 C:ARG185 3.8 47.9 1.0 CZ C:ARG185 4.1 47.4 1.0 CB C:ARG185 4.1 39.6 1.0 N1 F:5IU22 4.3 32.4 1.0 N3 F:5IU22 4.3 30.9 1.0 O C:SER181 4.4 30.6 1.0 CG C:ARG185 4.6 40.8 1.0 CD C:ARG185 4.8 42.7 1.0 C C:SER181 4.8 29.8 1.0 O5' F:5IU22 4.9 29.5 1.0 C2 F:5IU22 4.9 32.8 1.0 CB C:SER181 4.9 26.0 1.0

J.Aishima, R.K.Gitti, J.E.Noah, H.H.Gan, T.Schlick, C.Wolberger. A Hoogsteen Base Pair Embedded in Undistorted B-Dna Nucleic Acids Res. V. 30 5244 2002.
ISSN: ISSN 0305-1048
PubMed: 12466549
DOI: 10.1093/NAR/GKF661