Iodine in PDB 3kz8: Diversity in Dna Recognition By P53 Revealed By Crystal Structures with Hoogsteen Base Pairs (P53-Dna Complex 3)

The structure of Diversity in Dna Recognition By P53 Revealed By Crystal Structures with Hoogsteen Base Pairs (P53-Dna Complex 3), PDB code: 3kz8 was solved by H.Rozenberg, O.Suad, Z.Shakked, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.54 / 1.91
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	138.422, 49.812, 68.056, 90.00, 93.48, 90.00
R / Rfree (%)	22.1 / 26.6

The structure of Diversity in Dna Recognition By P53 Revealed By Crystal Structures with Hoogsteen Base Pairs (P53-Dna Complex 3) also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Iodine atom in the Diversity in Dna Recognition By P53 Revealed By Crystal Structures with Hoogsteen Base Pairs (P53-Dna Complex 3) (pdb code 3kz8). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Diversity in Dna Recognition By P53 Revealed By Crystal Structures with Hoogsteen Base Pairs (P53-Dna Complex 3), PDB code: 3kz8:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Diversity in Dna Recognition By P53 Revealed By Crystal Structures with Hoogsteen Base Pairs (P53-Dna Complex 3)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Diversity in Dna Recognition By P53 Revealed By Crystal Structures with Hoogsteen Base Pairs (P53-Dna Complex 3) within 5.0Å range: probe atom residue distance (Å) B Occ A:I2 b:43.1 occ:0.40 CE A:MET160 1.4 39.6 0.6 O A:HOH309 2.1 24.1 0.6 O A:HOH52 3.1 24.7 1.0 O A:HOH365 3.2 41.6 1.0 SD A:MET160 3.2 33.5 0.6 O A:HOH47 3.3 22.4 1.0 SD A:MET160 3.4 13.9 0.4 CB A:SER215 4.0 15.9 1.0 CG A:MET160 4.0 27.9 0.6 OG A:SER215 4.1 19.6 1.0 CD A:ARG158 4.3 23.1 1.0 CB A:ARG213 4.5 22.1 1.0 NH1 A:ARG158 4.5 34.3 1.0 O A:HIS214 4.6 16.9 1.0 CB A:MET160 4.7 14.5 0.6 O A:ARG213 4.7 20.9 1.0 CB A:MET160 4.7 12.6 0.4 CE A:MET160 4.7 27.4 0.4 O A:HOH75 4.7 27.9 1.0 O A:HOH321 4.8 31.8 1.0 CG A:MET160 4.8 19.2 0.4 OD2 A:ASP208 4.9 37.9 1.0 NE A:ARG158 4.9 24.7 1.0 CZ A:ARG158 5.0 36.8 1.0

Iodine binding site 2 out of 2 in the Diversity in Dna Recognition By P53 Revealed By Crystal Structures with Hoogsteen Base Pairs (P53-Dna Complex 3)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Diversity in Dna Recognition By P53 Revealed By Crystal Structures with Hoogsteen Base Pairs (P53-Dna Complex 3) within 5.0Å range: probe atom residue distance (Å) B Occ B:I2 b:42.2 occ:0.40 CE B:MET160 1.1 31.1 0.6 O B:HOH308 2.2 24.1 0.6 SD B:MET160 2.8 54.0 0.6 O B:HOH51 3.0 23.9 1.0 SD B:MET160 3.2 26.3 0.4 O B:HOH46 3.2 22.5 1.0 O B:HOH366 3.4 40.6 1.0 CG B:MET160 3.8 24.3 0.6 CB B:SER215 4.0 16.4 1.0 OG B:SER215 4.1 19.3 1.0 CB B:MET160 4.2 17.6 0.4 CB B:ARG213 4.3 24.0 1.0 CB B:MET160 4.3 21.5 0.6 CD B:ARG158 4.4 21.2 1.0 CG B:MET160 4.5 13.6 0.4 O B:HIS214 4.5 18.6 1.0 O B:ARG213 4.6 21.4 1.0 NH1 B:ARG158 4.6 33.9 1.0 CE B:MET160 4.6 24.9 0.4 O B:HOH73 4.8 26.8 1.0 C B:ARG213 4.9 19.3 1.0 O B:HOH322 4.9 31.5 1.0 C B:HIS214 4.9 17.4 1.0 OD2 B:ASP208 5.0 38.4 1.0

M.Kitayner, H.Rozenberg, R.Rohs, O.Suad, D.Rabinovich, B.Honig, Z.Shakked. Diversity in Dna Recognition By P53 Revealed By Crystal Structures with Hoogsteen Base Pairs Nat.Struct.Mol.Biol. V. 17 423 2010.
ISSN: ISSN 1545-9993
PubMed: 20364130
DOI: 10.1038/NSMB.1800