Iodine in PDB 1q3u: Crystal Structure of A Wild-Type Cre Recombinase-Loxp Synapse: Pre-Cleavage Complex

The structure of Crystal Structure of A Wild-Type Cre Recombinase-Loxp Synapse: Pre-Cleavage Complex, PDB code: 1q3u was solved by E.Ennifar, J.E.W.Meyer, F.Buchholz, A.F.Stewart, D.Suck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.03 / 2.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	107.991, 161.064, 196.003, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 24.4

The structure of Crystal Structure of A Wild-Type Cre Recombinase-Loxp Synapse: Pre-Cleavage Complex also contains other interesting chemical elements:

Magnesium

(Mg)

10 atoms

The binding sites of Iodine atom in the Crystal Structure of A Wild-Type Cre Recombinase-Loxp Synapse: Pre-Cleavage Complex (pdb code 1q3u). 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 A Wild-Type Cre Recombinase-Loxp Synapse: Pre-Cleavage Complex, PDB code: 1q3u:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Crystal Structure of A Wild-Type Cre Recombinase-Loxp Synapse: Pre-Cleavage Complex


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 A Wild-Type Cre Recombinase-Loxp Synapse: Pre-Cleavage Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:I200 b:53.0 occ:0.54 CA B:ALA260 3.8 39.6 1.0 O B:ARG259 4.2 35.0 1.0 C6 C:DC106 4.2 17.0 1.0 C5' C:DC106 4.3 35.7 1.0 CB B:ALA260 4.3 32.1 1.0 C5 C:DC106 4.4 15.9 1.0 C5 C:UMP107 4.4 39.3 1.0 N B:ALA260 4.4 39.6 1.0 O4 C:UMP107 4.6 47.8 1.0 C B:ARG259 4.6 42.2 1.0 O B:ALA260 4.7 39.1 1.0 C B:ALA260 4.8 40.7 1.0 CA B:GLY263 4.9 47.9 1.0 C4 C:UMP107 4.9 44.0 1.0 O5' C:DC106 5.0 57.4 1.0 C2' C:DC106 5.0 47.5 1.0

Iodine binding site 2 out of 2 in the Crystal Structure of A Wild-Type Cre Recombinase-Loxp Synapse: Pre-Cleavage Complex


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 A Wild-Type Cre Recombinase-Loxp Synapse: Pre-Cleavage Complex within 5.0Å range: probe atom residue distance (Å) B Occ F:I344 b:46.7 occ:0.53 CA F:ALA260 3.9 38.8 1.0 C6 G:DC106 4.1 39.1 1.0 C5 G:DC106 4.3 39.4 1.0 N F:ALA260 4.4 35.6 1.0 C5' G:DC106 4.4 50.0 1.0 O F:ARG259 4.4 38.5 1.0 CB F:ALA260 4.5 38.1 1.0 C F:ARG259 4.6 40.2 1.0 O F:ALA260 4.7 42.0 1.0 C5 G:UMP107 4.8 54.4 1.0 C F:ALA260 4.8 40.1 1.0 CA F:GLY263 4.8 44.6 1.0 C2' G:DC106 4.9 47.2 1.0

E.Ennifar, J.E.W.Meyer, F.Buchholz, A.F.Stewart, D.Suck. Crystal Structure of A Wild-Type Cre Recombinase-Loxp Synapse Reveals A Novel Spacer Conformation Suggesting An Alternative Mechanism For Dna Cleavage Activation Nucleic Acids Res. V. 31 5449 2003.
ISSN: ISSN 0305-1048
PubMed: 12954782
DOI: 10.1093/NAR/GKG732