Iodine in PDB 4wyu: Crystal Structure of Scribble PDZ34 Tandem in Complex with Its Target Peptide

The structure of Crystal Structure of Scribble PDZ34 Tandem in Complex with Its Target Peptide, PDB code: 4wyu was solved by J.Q.Ren, H.H.Pei, W.Feng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.76 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	37.270, 78.430, 94.080, 90.00, 99.51, 90.00
R / Rfree (%)	18.9 / 22.7

The binding sites of Iodine atom in the Crystal Structure of Scribble PDZ34 Tandem in Complex with Its Target Peptide (pdb code 4wyu). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 7 binding sites of Iodine where determined in the Crystal Structure of Scribble PDZ34 Tandem in Complex with Its Target Peptide, PDB code: 4wyu:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7;

Iodine binding site 1 out of 7 in the Crystal Structure of Scribble PDZ34 Tandem in Complex with Its Target Peptide


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 Scribble PDZ34 Tandem in Complex with Its Target Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:40.2 occ:1.00 N A:GLY122 3.5 30.7 1.0 O A:HOH434 3.7 36.9 1.0 NH2 A:ARG120 3.9 40.2 1.0 NE A:ARG120 4.0 48.5 1.0 N A:LEU121 4.0 29.9 1.0 CA A:GLY122 4.2 31.7 1.0 CB A:ARG120 4.3 36.1 1.0 CZ A:ARG120 4.3 45.6 1.0 CB A:LEU121 4.3 33.6 1.0 N A:ILE123 4.4 37.0 1.0 O A:ILE123 4.4 31.6 1.0 C A:LEU121 4.5 31.9 1.0 CA A:LEU121 4.5 32.0 1.0 CG A:ARG120 4.8 41.9 1.0 C A:GLY122 4.8 38.3 1.0 C A:ARG120 4.9 39.2 1.0

Iodine binding site 2 out of 7 in the Crystal Structure of Scribble PDZ34 Tandem in Complex with Its Target Peptide


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 Scribble PDZ34 Tandem in Complex with Its Target Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:96.6 occ:1.00 N A:GLY21 3.3 48.0 1.0 NH2 A:ARG19 3.4 45.8 1.0 CZ A:ARG19 3.5 44.8 1.0 CA A:GLY21 3.7 46.1 1.0 NE A:ARG19 3.8 39.4 1.0 C A:ARG19 3.8 33.9 1.0 CB A:ARG19 3.9 27.6 1.0 O A:ARG19 3.9 27.8 1.0 CA A:ARG19 4.0 28.4 1.0 NH1 A:ARG19 4.1 45.4 1.0 N A:ALA20 4.1 34.9 1.0 C A:GLY21 4.3 52.3 1.0 C A:ALA20 4.5 46.2 1.0 CD A:ARG19 4.6 34.0 1.0 O A:GLY22 4.6 55.5 1.0 CG A:ARG19 4.6 39.0 1.0 CA A:ALA20 4.7 38.1 1.0 N A:GLY22 4.8 53.6 1.0 O A:GLY21 4.9 56.3 1.0

Iodine binding site 3 out of 7 in the Crystal Structure of Scribble PDZ34 Tandem in Complex with Its Target Peptide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of Scribble PDZ34 Tandem in Complex with Its Target Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I303 b:0.4 occ:1.00 OG A:SER150 3.5 39.8 1.0 CG A:ARG120 3.9 41.9 1.0 CD A:ARG120 4.0 44.2 1.0 CB A:SER150 4.0 37.7 1.0 CA A:GLY153 4.1 32.5 1.0 OG1 A:THR152 4.1 59.2 1.0 N A:GLY153 4.2 37.8 1.0 CA A:GLY122 4.3 31.7 1.0 NE A:ARG120 4.5 48.5 1.0 C A:THR152 4.7 45.8 1.0 N A:GLY122 5.0 30.7 1.0

Iodine binding site 4 out of 7 in the Crystal Structure of Scribble PDZ34 Tandem in Complex with Its Target Peptide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of Scribble PDZ34 Tandem in Complex with Its Target Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:I301 b:47.7 occ:1.00 N B:GLY122 3.6 58.7 1.0 NH2 B:ARG120 3.6 47.5 1.0 NE B:ARG120 3.9 56.5 1.0 CZ B:ARG120 4.1 50.1 1.0 CA B:GLY122 4.2 54.7 1.0 N B:LEU121 4.2 56.8 1.0 CB B:LEU121 4.3 46.7 1.0 O B:ILE123 4.4 40.5 1.0 N B:ILE123 4.4 40.0 1.0 C B:LEU121 4.5 56.0 1.0 CA B:LEU121 4.6 52.8 1.0 CB B:ARG120 4.6 64.8 1.0 C B:GLY122 4.8 54.7 1.0 CG B:ARG120 4.9 63.2 1.0

Iodine binding site 5 out of 7 in the Crystal Structure of Scribble PDZ34 Tandem in Complex with Its Target Peptide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of Scribble PDZ34 Tandem in Complex with Its Target Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:I302 b:85.5 occ:1.00 N B:GLY21 3.6 37.5 1.0 CZ B:ARG19 3.6 46.9 1.0 NH2 B:ARG19 3.7 52.8 1.0 CA B:GLY21 3.8 34.6 1.0 O B:ARG19 3.8 32.1 1.0 NH1 B:ARG19 3.9 41.6 1.0 CB B:ARG19 4.0 29.5 1.0 C B:ARG19 4.0 35.8 1.0 NE B:ARG19 4.0 40.6 1.0 CA B:ARG19 4.2 30.9 1.0 N B:ALA20 4.5 39.8 1.0 C B:GLY21 4.6 42.7 1.0 CD B:ARG19 4.6 32.7 1.0 C B:ALA20 4.7 40.4 1.0 CG B:ARG19 4.7 37.1 1.0 O B:GLY22 5.0 49.7 1.0

Iodine binding site 6 out of 7 in the Crystal Structure of Scribble PDZ34 Tandem in Complex with Its Target Peptide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of Scribble PDZ34 Tandem in Complex with Its Target Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:I303 b:0.4 occ:1.00 CA B:ARG54 3.7 56.0 1.0 CD B:ARG54 3.8 67.7 1.0 N B:ARG54 4.0 51.7 1.0 N B:ARG59 4.0 35.5 1.0 CG B:ARG59 4.0 49.5 1.0 CB B:ALA58 4.1 27.7 1.0 C B:ALA58 4.1 36.7 1.0 CA B:ARG59 4.1 41.2 1.0 O B:ALA58 4.2 41.4 1.0 NE B:ARG54 4.4 77.4 1.0 CB B:ARG54 4.5 59.9 1.0 CG B:ARG54 4.6 62.3 1.0 CB B:ARG59 4.7 41.7 1.0 C B:ARG54 4.7 53.6 1.0 CA B:ALA58 4.8 39.3 1.0

Iodine binding site 7 out of 7 in the Crystal Structure of Scribble PDZ34 Tandem in Complex with Its Target Peptide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of Scribble PDZ34 Tandem in Complex with Its Target Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:I304 b:90.0 occ:1.00 OG B:SER150 3.5 69.1 1.0 O B:HOH401 3.7 61.3 1.0 OG1 B:THR152 3.8 59.9 1.0 CA B:GLY153 3.8 60.2 1.0 CG B:ARG120 3.8 63.2 1.0 N B:GLY153 3.9 62.2 1.0 CB B:SER150 4.1 61.8 1.0 CD B:ARG120 4.1 56.9 1.0 C B:THR152 4.1 66.5 1.0 CA B:GLY122 4.2 54.7 1.0 O B:HOH421 4.2 51.2 1.0 O B:THR152 4.2 70.0 1.0 CB B:THR152 4.7 64.2 1.0 NE B:ARG120 4.7 56.5 1.0 N B:GLY122 4.9 58.7 1.0 CA B:THR152 4.9 67.3 1.0

J.Ren, L.Feng, Y.Bai, H.Pei, Z.Yuan, W.Feng. Interdomain Interface-Mediated Target Recognition By the Scribble PDZ34 Supramodule. Biochem.J. V. 468 133 2015.
ISSN: ESSN 1470-8728
PubMed: 25734361
DOI: 10.1042/BJ20141473