Iodine in PDB 1ga5: Crystal Structure of the Orphan Nuclear Receptor Rev-Erb(Alpha) Dna- Binding Domain Bound to Its Cognate Response Element

The structure of Crystal Structure of the Orphan Nuclear Receptor Rev-Erb(Alpha) Dna- Binding Domain Bound to Its Cognate Response Element, PDB code: 1ga5 was solved by M.L.Sierk, Q.Zhao, F.Rastinejad, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.60 / 2.40
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	44.920, 52.020, 78.880, 85.84, 76.61, 74.48
R / Rfree (%)	25.3 / 29.9

The structure of Crystal Structure of the Orphan Nuclear Receptor Rev-Erb(Alpha) Dna- Binding Domain Bound to Its Cognate Response Element also contains other interesting chemical elements:

Zinc

(Zn)

8 atoms

The binding sites of Iodine atom in the Crystal Structure of the Orphan Nuclear Receptor Rev-Erb(Alpha) Dna- Binding Domain Bound to Its Cognate Response Element (pdb code 1ga5). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Crystal Structure of the Orphan Nuclear Receptor Rev-Erb(Alpha) Dna- Binding Domain Bound to Its Cognate Response Element, PDB code: 1ga5:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Crystal Structure of the Orphan Nuclear Receptor Rev-Erb(Alpha) Dna- Binding Domain Bound to Its Cognate Response Element


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 Orphan Nuclear Receptor Rev-Erb(Alpha) Dna- Binding Domain Bound to Its Cognate Response Element within 5.0Å range: probe atom residue distance (Å) B Occ D:I639 b:77.6 occ:0.85 I5 D:5IU639 0.0 77.6 0.8 C5 D:5IU639 1.6 66.0 1.0 C6 D:5IU639 2.6 65.2 1.0 C4 D:5IU639 2.7 62.5 1.0 O4 D:5IU639 3.0 64.4 1.0 C2' D:DT638 3.6 57.2 1.0 C6 D:DT638 3.8 51.6 1.0 N1 D:5IU639 3.9 60.3 1.0 N3 D:5IU639 3.9 58.3 1.0 C5 D:DT638 4.2 55.1 1.0 O D:HOH987 4.3 39.4 1.0 C7 D:DT638 4.3 55.1 1.0 N1 D:DT638 4.4 53.4 1.0 OP2 D:5IU639 4.4 67.0 1.0 C2 D:5IU639 4.5 58.7 1.0 C1' D:DT638 4.6 53.3 1.0 C3' D:DT638 4.8 59.7 1.0

Iodine binding site 2 out of 2 in the Crystal Structure of the Orphan Nuclear Receptor Rev-Erb(Alpha) Dna- Binding Domain Bound to Its Cognate Response Element


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 Orphan Nuclear Receptor Rev-Erb(Alpha) Dna- Binding Domain Bound to Its Cognate Response Element within 5.0Å range: probe atom residue distance (Å) B Occ H:I639 b:77.4 occ:0.87 I5 H:5IU639 0.0 77.4 0.9 C5 H:5IU639 1.7 64.1 1.0 C6 H:5IU639 2.6 63.5 1.0 C4 H:5IU639 2.7 63.0 1.0 O4 H:5IU639 3.0 61.5 1.0 C2' H:DT638 3.6 55.4 1.0 N1 H:5IU639 3.9 60.2 1.0 C6 H:DT638 3.9 47.5 1.0 N3 H:5IU639 3.9 57.6 1.0 OP2 H:5IU639 4.2 56.5 1.0 C5 H:DT638 4.3 49.7 1.0 N1 H:DT638 4.4 49.5 1.0 O H:HOH851 4.4 57.4 1.0 C2 H:5IU639 4.5 57.6 1.0 C7 H:DT638 4.5 47.9 1.0 C1' H:DT638 4.6 51.2 1.0 C3' H:DT638 4.8 55.4 1.0 O6 H:DG640 4.9 60.0 1.0

M.L.Sierk, Q.Zhao, F.Rastinejad. Dna Deformability As A Recognition Feature in the Reverb Response Element Biochemistry V. 40 12833 2001.
ISSN: ISSN 0006-2960
PubMed: 11669620
DOI: 10.1021/BI011086R