Iodine in PDB 4r11: A Conserved Phosphorylation Switch Controls the Interaction Between Cadherin and Beta-Catenin in Vitro and in Vivo

The structure of A Conserved Phosphorylation Switch Controls the Interaction Between Cadherin and Beta-Catenin in Vitro and in Vivo, PDB code: 4r11 was solved by H.-J.Choi, T.Loveless, A.Lynch, I.Bang, J.Hardin, W.I.Weis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.69 / 2.79
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	85.057, 157.716, 84.824, 90.00, 94.20, 90.00
R / Rfree (%)	19.9 / 24.9

The binding sites of Iodine atom in the A Conserved Phosphorylation Switch Controls the Interaction Between Cadherin and Beta-Catenin in Vitro and in Vivo (pdb code 4r11). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 9 binding sites of Iodine where determined in the A Conserved Phosphorylation Switch Controls the Interaction Between Cadherin and Beta-Catenin in Vitro and in Vivo, PDB code: 4r11:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Iodine binding site 1 out of 9 in the A Conserved Phosphorylation Switch Controls the Interaction Between Cadherin and Beta-Catenin in Vitro and in Vivo


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of A Conserved Phosphorylation Switch Controls the Interaction Between Cadherin and Beta-Catenin in Vitro and in Vivo within 5.0Å range: probe atom residue distance (Å) B Occ A:I701 b:89.0 occ:1.00 N A:GLN250 3.7 66.9 1.0 CB A:GLN250 3.8 66.5 1.0 CA A:LEU247 3.9 66.4 1.0 CD1 A:LEU244 3.9 46.9 1.0 CD1 A:LEU289 4.0 40.4 1.0 CB A:PRO249 4.1 49.4 1.0 C A:LEU247 4.2 67.1 1.0 CA A:GLN250 4.3 58.1 1.0 CD2 A:LEU247 4.3 63.4 1.0 CG A:PRO249 4.3 59.2 1.0 CD A:PRO249 4.4 52.0 1.0 CB A:LEU247 4.4 62.4 1.0 O A:LEU247 4.4 57.9 1.0 O A:LEU244 4.5 62.5 1.0 N A:PRO249 4.6 53.7 1.0 C A:PRO249 4.7 62.4 1.0 CA A:PRO249 4.7 55.2 1.0 N A:GLY248 4.8 66.4 1.0 CB A:ALA285 4.8 46.8 1.0 CG A:LEU289 4.9 54.7 1.0 N A:LEU247 4.9 60.3 1.0

Iodine binding site 2 out of 9 in the A Conserved Phosphorylation Switch Controls the Interaction Between Cadherin and Beta-Catenin in Vitro and in Vivo


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of A Conserved Phosphorylation Switch Controls the Interaction Between Cadherin and Beta-Catenin in Vitro and in Vivo within 5.0Å range: probe atom residue distance (Å) B Occ A:I702 b:0.8 occ:1.00 ND2 A:ASN218 3.7 56.8 1.0 CA A:ASN218 4.0 49.5 1.0 CB A:ASN218 4.0 50.5 1.0 CG A:ASN218 4.3 65.4 1.0 N A:ASN218 4.3 60.9 1.0 O A:THR217 4.4 65.5 1.0 OG1 A:THR217 4.4 70.5 1.0 C A:THR217 4.5 61.4 1.0 CD A:PRO219 4.8 43.5 1.0

Iodine binding site 3 out of 9 in the A Conserved Phosphorylation Switch Controls the Interaction Between Cadherin and Beta-Catenin in Vitro and in Vivo


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of A Conserved Phosphorylation Switch Controls the Interaction Between Cadherin and Beta-Catenin in Vitro and in Vivo within 5.0Å range: probe atom residue distance (Å) B Occ A:I703 b:0.6 occ:1.00 N A:LYS220 3.8 47.9 1.0 CB A:LYS220 3.9 59.2 1.0 CB A:PRO219 4.0 49.9 1.0 CD A:PRO219 4.1 43.5 1.0 CG A:PRO219 4.2 52.7 1.0 CA A:LYS220 4.4 68.3 1.0 OD1 A:ASN218 4.5 78.5 1.0 N A:PRO219 4.6 57.8 1.0 C A:PRO219 4.6 46.0 1.0 CA A:PRO219 4.7 52.3 1.0 ND2 A:ASN218 4.8 56.8 1.0 CG A:ASN218 4.9 65.4 1.0

Iodine binding site 4 out of 9 in the A Conserved Phosphorylation Switch Controls the Interaction Between Cadherin and Beta-Catenin in Vitro and in Vivo


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of A Conserved Phosphorylation Switch Controls the Interaction Between Cadherin and Beta-Catenin in Vitro and in Vivo within 5.0Å range: probe atom residue distance (Å) B Occ A:I704 b:0.8 occ:1.00 N A:GLY154 3.7 98.2 1.0 CD A:PRO156 4.1 72.2 1.0 N A:LEU157 4.1 97.2 1.0 CA A:GLY154 4.1 96.2 1.0 CB A:LEU157 4.2 0.6 1.0 CB A:PRO156 4.2 67.2 1.0 CG A:PRO156 4.2 67.4 1.0 CB A:HIS193 4.2 77.7 1.0 C A:GLY154 4.3 93.4 1.0 N A:PRO156 4.6 81.1 1.0 O A:HIS193 4.7 81.4 1.0 N A:GLY155 4.7 87.5 1.0 O A:GLY154 4.7 97.0 1.0 CA A:LEU157 4.7 97.4 1.0 C A:ARG153 4.8 0.3 1.0 CA A:PRO156 4.9 73.2 1.0 CG A:HIS193 4.9 79.6 1.0 C A:PRO156 4.9 89.0 1.0 CA A:ARG153 4.9 0.5 1.0

Iodine binding site 5 out of 9 in the A Conserved Phosphorylation Switch Controls the Interaction Between Cadherin and Beta-Catenin in Vitro and in Vivo


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of A Conserved Phosphorylation Switch Controls the Interaction Between Cadherin and Beta-Catenin in Vitro and in Vivo within 5.0Å range: probe atom residue distance (Å) B Occ C:I701 b:0.2 occ:1.00 N C:GLY154 3.6 75.7 1.0 CA C:GLY154 3.8 75.8 1.0 N C:LEU157 3.9 63.5 1.0 CB C:LEU157 4.0 72.4 1.0 CD C:PRO156 4.0 53.9 1.0 C C:GLY154 4.1 75.4 1.0 CB C:HIS193 4.2 60.7 1.0 CB C:PRO156 4.3 50.5 1.0 CG C:PRO156 4.3 55.0 1.0 N C:PRO156 4.4 62.0 1.0 O C:HIS193 4.4 71.1 1.0 N C:GLY155 4.5 79.1 1.0 CA C:LEU157 4.5 61.5 1.0 O C:GLY154 4.5 81.1 1.0 C C:ARG153 4.7 79.5 1.0 C C:PRO156 4.8 67.2 1.0 CA C:PRO156 4.8 53.5 1.0 CG2 C:VAL194 4.8 44.4 1.0 CG C:HIS193 5.0 65.2 1.0

Iodine binding site 6 out of 9 in the A Conserved Phosphorylation Switch Controls the Interaction Between Cadherin and Beta-Catenin in Vitro and in Vivo


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of A Conserved Phosphorylation Switch Controls the Interaction Between Cadherin and Beta-Catenin in Vitro and in Vivo within 5.0Å range: probe atom residue distance (Å) B Occ C:I702 b:0.0 occ:1.00 N C:LYS220 4.0 45.2 1.0 CB C:LYS220 4.1 40.8 1.0 CB C:PRO219 4.1 33.7 1.0 CD C:PRO219 4.2 46.3 1.0 CG C:PRO219 4.3 51.6 1.0 OD1 C:ASN218 4.3 39.7 1.0 CA C:LYS220 4.7 51.6 1.0 N C:PRO219 4.7 52.0 1.0 ND2 C:ASN218 4.8 81.0 1.0 CG C:ASN218 4.8 40.5 1.0 CA C:PRO219 4.8 39.3 1.0 C C:PRO219 4.8 53.1 1.0

Iodine binding site 7 out of 9 in the A Conserved Phosphorylation Switch Controls the Interaction Between Cadherin and Beta-Catenin in Vitro and in Vivo


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of A Conserved Phosphorylation Switch Controls the Interaction Between Cadherin and Beta-Catenin in Vitro and in Vivo within 5.0Å range: probe atom residue distance (Å) B Occ C:I703 b:92.3 occ:1.00 CA C:LEU247 3.8 32.8 1.0 CD1 C:LEU289 3.9 35.6 1.0 N C:GLN250 4.0 45.6 1.0 CB C:GLN250 4.0 43.3 1.0 OE1 C:GLN250 4.0 90.0 1.0 CD2 C:LEU247 4.1 42.6 1.0 C C:LEU247 4.2 43.7 1.0 CB C:LEU247 4.2 45.8 1.0 CD1 C:LEU244 4.3 36.4 1.0 CB C:PRO249 4.3 30.0 1.0 CG C:GLN250 4.4 77.0 1.0 CD C:GLN250 4.4 92.5 1.0 O C:LEU247 4.4 43.7 1.0 CD C:PRO249 4.5 30.5 1.0 CA C:GLN250 4.6 38.6 1.0 CG C:PRO249 4.7 28.8 1.0 N C:PRO249 4.7 50.9 1.0 O C:LEU244 4.7 40.9 1.0 CG C:LEU289 4.8 35.1 1.0 C C:PRO249 4.8 52.6 1.0 CD2 C:LEU289 4.8 29.0 1.0 CG C:LEU247 4.8 58.0 1.0 N C:GLY248 4.9 48.6 1.0 CA C:PRO249 4.9 46.6 1.0 N C:LEU247 4.9 41.7 1.0

Iodine binding site 8 out of 9 in the A Conserved Phosphorylation Switch Controls the Interaction Between Cadherin and Beta-Catenin in Vitro and in Vivo


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of A Conserved Phosphorylation Switch Controls the Interaction Between Cadherin and Beta-Catenin in Vitro and in Vivo within 5.0Å range: probe atom residue distance (Å) B Occ C:I704 b:94.5 occ:1.00 CB C:ARG546 3.9 94.1 1.0 CG C:ARG546 4.0 99.3 1.0 N C:ARG546 4.0 65.2 1.0 CB C:PRO545 4.1 54.8 1.0 CA C:ARG546 4.1 74.0 1.0 CE1 C:HIS544 4.5 46.2 1.0 C C:PRO545 4.6 59.4 1.0 CB C:PRO486 4.6 0.1 1.0 OG C:SER549 4.8 96.5 1.0 ND1 C:HIS544 4.9 51.2 1.0 CG C:PRO545 5.0 71.8 1.0 CA C:PRO545 5.0 57.1 1.0

Iodine binding site 9 out of 9 in the A Conserved Phosphorylation Switch Controls the Interaction Between Cadherin and Beta-Catenin in Vitro and in Vivo


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of A Conserved Phosphorylation Switch Controls the Interaction Between Cadherin and Beta-Catenin in Vitro and in Vivo within 5.0Å range: probe atom residue distance (Å) B Occ E:I701 b:94.6 occ:1.00 CB E:GLN250 3.7 72.2 1.0 N E:GLN250 3.7 73.2 1.0 CA E:LEU247 4.0 52.9 1.0 CD1 E:LEU289 4.1 39.7 1.0 CD1 E:LEU244 4.1 36.2 1.0 NE2 E:GLN250 4.1 82.0 1.0 CB E:PRO249 4.2 39.7 1.0 CD2 E:LEU247 4.2 49.5 1.0 CA E:GLN250 4.2 74.7 1.0 C E:LEU247 4.3 63.3 1.0 CD E:PRO249 4.4 47.1 1.0 CG E:PRO249 4.4 49.0 1.0 CB E:LEU247 4.5 54.4 1.0 CD2 E:LEU289 4.5 43.1 1.0 O E:LEU247 4.5 57.4 1.0 N E:PRO249 4.6 58.0 1.0 C E:PRO249 4.7 51.8 1.0 O E:LEU244 4.7 59.3 1.0 CG E:LEU289 4.8 48.4 1.0 CA E:PRO249 4.8 46.2 1.0 CG E:GLN250 4.8 83.2 1.0 N E:GLY248 4.9 56.5 1.0 CD E:GLN250 4.9 0.3 1.0 CB E:ALA285 5.0 31.2 1.0 CG E:LEU247 5.0 64.0 1.0

H.J.Choi, T.Loveless, A.M.Lynch, I.Bang, J.Hardin, W.I.Weis. A Conserved Phosphorylation Switch Controls the Interaction Between Cadherin and Beta-Catenin in Vitro and in Vivo Dev.Cell V. 33 82 2015.
ISSN: ISSN 1534-5807
PubMed: 25850673
DOI: 10.1016/J.DEVCEL.2015.02.005