Iodine in PDB 1q3v: Crystal Structure of A Wild-Type Cre Recombinase-Loxp Synapse: Phosphotyrosine Covalent Intermediate

The structure of Crystal Structure of A Wild-Type Cre Recombinase-Loxp Synapse: Phosphotyrosine Covalent Intermediate, PDB code: 1q3v 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)	29.92 / 2.91
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	108.938, 164.160, 194.759, 90.00, 90.00, 90.00
R / Rfree (%)	24.7 / 27.6

The structure of Crystal Structure of A Wild-Type Cre Recombinase-Loxp Synapse: Phosphotyrosine Covalent Intermediate also contains other interesting chemical elements:

Magnesium

(Mg)

7 atoms

The binding sites of Iodine atom in the Crystal Structure of A Wild-Type Cre Recombinase-Loxp Synapse: Phosphotyrosine Covalent Intermediate (pdb code 1q3v). 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: Phosphotyrosine Covalent Intermediate, PDB code: 1q3v:
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: Phosphotyrosine Covalent Intermediate


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: Phosphotyrosine Covalent Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ C:I200 b:74.5 occ:0.58 CA B:ALA260 3.8 60.8 1.0 C6 C:DC106 3.9 62.3 1.0 CB B:ALA260 4.2 61.0 1.0 O B:ARG259 4.2 58.0 1.0 C5 C:DC106 4.2 61.7 1.0 C5' C:DC106 4.3 65.8 1.0 C5 C:UMP107 4.3 62.2 1.0 N B:ALA260 4.3 59.8 1.0 C2' C:DC106 4.4 67.9 1.0 C B:ARG259 4.5 59.4 1.0 O4 C:UMP107 4.6 64.1 1.0 N1 C:DC106 4.7 64.7 1.0 C3' C:DC106 4.8 69.2 1.0 C B:ALA260 4.8 60.9 1.0 O B:ALA260 4.8 60.3 1.0 C4 C:UMP107 4.9 62.7 1.0 O5' C:DC106 4.9 67.8 1.0 CG B:ARG259 4.9 59.0 1.0

Iodine binding site 2 out of 2 in the Crystal Structure of A Wild-Type Cre Recombinase-Loxp Synapse: Phosphotyrosine Covalent Intermediate


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: Phosphotyrosine Covalent Intermediate within 5.0Å range: probe atom residue distance (Å) B Occ F:I344 b:73.7 occ:0.66 CA F:ALA260 4.0 50.2 1.0 C6 G:DC106 4.0 56.3 1.0 C5 G:DC106 4.0 56.5 1.0 O F:ARG259 4.2 51.8 1.0 C5' G:DC106 4.5 62.7 1.0 CB F:ALA260 4.5 51.4 1.0 N F:ALA260 4.5 51.3 1.0 C F:ARG259 4.6 52.5 1.0 O4 G:UMP107 4.7 67.2 1.0 C5 G:UMP107 4.7 62.9 1.0 CA F:GLY263 4.8 51.0 1.0 C2' G:DC106 4.9 62.1 1.0 CG F:ARG259 5.0 54.9 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