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

Protein crystallography data

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

Other elements in 1q3v:

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

Iodine Binding Sites:

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 1q3v

Go back to Iodine Binding Sites List in 1q3v
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 1q3v

Go back to Iodine Binding Sites List in 1q3v
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

Reference:

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
Page generated: Sun Aug 11 12:45:01 2024

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