Iodine in PDB 4yl8: Crystal Structure of the Crumbs/Moesin Complex

The structure of Crystal Structure of the Crumbs/Moesin Complex, PDB code: 4yl8 was solved by Z.Wei, Y.Li, M.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.80 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.115, 65.121, 83.205, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 19.1

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of the Crumbs/Moesin Complex (pdb code 4yl8). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 24 binding sites of Iodine where determined in the Crystal Structure of the Crumbs/Moesin Complex, PDB code: 4yl8:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 24 in the Crystal Structure of the Crumbs/Moesin 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 the Crumbs/Moesin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:28.4 occ:0.75 NZ A:LYS237 3.3 34.7 1.0 ND2 A:ASN210 3.8 21.4 1.0 CE1 A:PHE267 3.9 22.9 0.4 CE A:LYS237 4.0 33.1 1.0 CD1 A:LEU216 4.1 20.1 1.0 CZ A:PHE267 4.1 23.0 0.4 CD1 A:ILE238 4.2 26.6 1.0 C2 A:GOL301 4.2 23.9 1.0 CE2 A:PHE269 4.3 16.5 0.6 CB A:ASN210 4.4 17.9 1.0 CD A:LYS237 4.5 31.3 1.0 C3 A:GOL301 4.5 38.9 1.0 CG A:ASN210 4.6 19.9 1.0 CZ A:PHE269 4.7 16.3 0.6 O3 A:GOL301 4.7 37.7 1.0 C1 A:GOL301 4.7 29.4 1.0 CG2 A:ILE227 4.9 17.4 1.0

Iodine binding site 2 out of 24 in the Crystal Structure of the Crumbs/Moesin 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 the Crumbs/Moesin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I303 b:27.4 occ:0.59 OE1 A:GLN50 2.8 31.1 1.0 O A:HOH545 3.4 24.9 1.0 C A:TYR49 3.8 16.1 1.0 CD A:GLN50 3.8 28.2 1.0 OG A:SER56 3.8 25.5 1.0 CG A:GLN48 3.9 25.6 1.0 CA A:TYR49 4.0 15.0 1.0 N A:GLN50 4.0 17.4 1.0 CD A:LYS79 4.0 23.1 1.0 O A:TYR49 4.0 17.6 1.0 CG A:GLN50 4.0 22.6 1.0 N A:TYR49 4.0 14.8 1.0 C A:GLN48 4.2 14.7 1.0 CB A:GLN48 4.2 19.9 1.0 CB A:SER56 4.2 21.2 1.0 O A:GLN48 4.3 17.1 1.0 CE A:LYS79 4.3 27.2 1.0 CG A:LYS79 4.5 18.6 1.0 CA A:SER56 4.5 17.8 1.0 CD A:GLN48 4.6 28.2 1.0 OE1 A:GLN48 4.7 31.2 1.0 NZ A:LYS79 4.7 29.2 1.0 CA A:GLN50 4.7 18.6 1.0 CB A:LYS79 4.9 15.8 1.0 CA A:GLN48 4.9 15.7 1.0 CB A:GLN50 5.0 20.8 1.0

Iodine binding site 3 out of 24 in the Crystal Structure of the Crumbs/Moesin Complex


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 the Crumbs/Moesin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I304 b:18.4 occ:1.00 O A:HOH477 3.6 23.9 1.0 N A:THR4 3.8 23.1 1.0 OG1 A:THR4 3.8 25.7 1.0 CB A:THR4 3.9 22.3 1.0 N A:LYS3 4.2 27.8 1.0 CB A:LYS3 4.3 29.9 1.0 CA A:THR4 4.4 22.5 1.0 O A:THR4 4.4 23.4 1.0 C A:LYS3 4.6 24.6 1.0 CA A:LYS3 4.6 27.5 1.0 CB A:PRO2 4.6 34.5 1.0 C A:THR4 4.9 21.6 1.0

Iodine binding site 4 out of 24 in the Crystal Structure of the Crumbs/Moesin Complex


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 the Crumbs/Moesin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I305 b:16.6 occ:0.59 I A:IOD305 0.0 16.6 0.6 I A:IOD305 1.5 28.6 0.4 O A:HOH439 3.5 21.0 1.0 O A:HOH438 3.6 18.4 1.0 NH1 A:ARG171 3.7 20.0 1.0 NE1 A:TRP175 4.2 17.9 1.0 CD A:ARG171 4.4 19.4 1.0 CB A:ARG171 4.4 17.1 1.0 CG1 A:VAL123 4.5 15.5 1.0 CG A:ARG171 4.7 18.7 1.0 CD1 A:TRP175 4.7 18.1 1.0 CZ A:ARG171 4.8 19.9 1.0

Iodine binding site 5 out of 24 in the Crystal Structure of the Crumbs/Moesin Complex


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 the Crumbs/Moesin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I305 b:28.6 occ:0.41 I A:IOD305 0.0 28.6 0.4 I A:IOD305 1.5 16.6 0.6 O A:HOH438 3.5 18.4 1.0 NH1 A:ARG171 3.6 20.0 1.0 CG1 A:VAL123 4.2 15.5 1.0 CB A:VAL123 4.3 14.3 1.0 CG2 A:VAL123 4.3 16.1 1.0 CB A:ARG171 4.5 17.1 1.0 CB A:GLU120 4.6 18.7 1.0 CG A:ARG171 4.6 18.7 1.0 CA A:GLU120 4.6 15.0 1.0 CD A:ARG171 4.6 19.4 1.0 O A:HOH439 4.7 21.0 1.0 CZ A:ARG171 4.8 19.9 1.0 NE1 A:TRP175 4.9 17.9 1.0

Iodine binding site 6 out of 24 in the Crystal Structure of the Crumbs/Moesin Complex


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 the Crumbs/Moesin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I306 b:26.0 occ:0.70 O A:HOH506 3.5 16.0 1.0 N A:GLU199 3.6 16.1 1.0 CG A:GLU199 4.0 22.5 1.0 CD2 A:TYR116 4.0 19.9 1.0 CD2 A:LEU198 4.1 16.6 1.0 CB A:GLU199 4.1 20.1 1.0 CA A:LEU198 4.2 14.9 1.0 CE2 A:TYR116 4.2 20.8 1.0 C A:LEU198 4.4 15.4 1.0 CD A:PRO118 4.4 18.5 1.0 CA A:GLU199 4.5 17.1 1.0 CB A:LEU198 4.6 15.3 1.0 CG A:PRO118 4.7 20.3 1.0 O A:TYR116 4.7 18.0 1.0 CD2 A:LEU234 4.7 21.6 1.0 CD1 A:LEU234 4.7 21.8 1.0 CG A:LEU198 5.0 15.6 1.0

Iodine binding site 7 out of 24 in the Crystal Structure of the Crumbs/Moesin Complex


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 the Crumbs/Moesin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I307 b:28.3 occ:0.43 I A:IOD314 3.2 52.2 0.4 N A:ARG275 3.6 17.0 1.0 I A:IOD316 3.7 44.0 0.4 NH1 A:ARG273 3.8 28.8 0.4 CB A:ARG275 3.8 21.8 1.0 CB A:LEU274 4.1 18.2 1.0 CB A:ARG273 4.2 21.8 0.4 CB A:ARG273 4.2 20.9 0.6 N A:LEU274 4.2 17.2 1.0 CA A:ARG275 4.3 18.2 1.0 CD A:ARG273 4.4 26.1 0.4 CD A:ARG273 4.5 24.8 0.6 O A:HOH512 4.5 21.9 1.0 C A:LEU274 4.5 16.7 1.0 CA A:LEU274 4.5 17.7 1.0 CG A:ARG273 4.6 23.6 0.6 CG A:ARG273 4.6 24.7 0.4 CG A:LEU274 4.8 18.3 1.0 C A:ARG273 4.9 17.5 1.0 CZ A:ARG273 4.9 28.5 0.4 CD2 A:LEU274 4.9 19.5 1.0

Iodine binding site 8 out of 24 in the Crystal Structure of the Crumbs/Moesin Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of the Crumbs/Moesin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I308 b:40.7 occ:0.54 I A:IOD320 3.7 58.9 0.4 N A:LYS165 3.8 20.1 1.0 CB A:LYS165 3.9 25.7 1.0 CA A:LYS165 3.9 21.4 1.0 CD2 A:LEU158 4.1 21.6 1.0 CD1 A:TRP168 4.4 14.8 1.0 C A:ASN164 4.4 19.4 1.0 CD1 A:LEU158 4.4 22.4 1.0 CG A:LYS165 4.6 29.3 1.0 CG A:LEU158 4.7 21.4 1.0 O A:LEU163 4.9 20.0 1.0 NE1 A:TRP168 4.9 16.6 1.0 CA A:ASN164 4.9 20.0 1.0 CB A:LEU158 4.9 20.4 1.0 O A:ASN164 5.0 18.5 1.0

Iodine binding site 9 out of 24 in the Crystal Structure of the Crumbs/Moesin Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Crystal Structure of the Crumbs/Moesin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I309 b:37.0 occ:0.48 N A:LYS72 3.6 32.0 1.0 CB A:ARG71 3.9 27.6 1.0 CA A:ARG71 4.1 26.7 1.0 CG2 A:THR52 4.1 25.6 1.0 CG A:ARG71 4.2 28.0 1.0 CZ A:ARG71 4.2 31.4 1.0 CB A:LYS72 4.3 33.5 1.0 CB A:THR52 4.3 26.1 1.0 NH2 A:ARG71 4.3 33.0 1.0 NE A:ARG71 4.4 29.6 1.0 C A:ARG71 4.4 29.4 1.0 NH1 A:ARG71 4.4 31.4 1.0 CA A:THR52 4.4 23.9 1.0 CA A:LYS72 4.5 33.3 1.0 O A:THR52 4.8 28.6 1.0 CD A:ARG71 4.9 28.5 1.0

Iodine binding site 10 out of 24 in the Crystal Structure of the Crumbs/Moesin Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Crystal Structure of the Crumbs/Moesin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I310 b:53.5 occ:0.52 I A:IOD310 0.0 53.5 0.5 I A:IOD310 2.0 50.5 0.5 N A:LEU152 3.5 24.2 1.0 CD1 A:LEU158 3.6 22.4 1.0 N A:LEU153 3.7 18.0 1.0 CD2 A:LEU158 4.1 21.6 1.0 CA A:LYS151 4.2 33.0 1.0 C A:LYS151 4.3 28.7 1.0 O A:ASP150 4.3 35.8 1.0 CB A:LEU153 4.3 16.7 1.0 O A:LEU153 4.3 19.1 1.0 CA A:LEU152 4.3 23.1 1.0 CG A:LEU158 4.4 21.4 1.0 CG A:LYS151 4.4 37.2 0.5 CA A:LEU153 4.5 17.4 1.0 C A:LEU152 4.5 19.6 1.0 CB A:LEU152 4.7 24.2 1.0 CG A:LEU153 4.8 16.1 1.0 C A:LEU153 4.9 17.6 1.0 CB A:LYS151 4.9 35.6 1.0 CD1 A:LEU153 5.0 17.0 1.0

Z.Wei, Y.Li, F.Ye, M.Zhang. Structural Basis For the Phosphorylation-Regulated Interaction Between the Cytoplasmic Tail of Cell Polarity Protein Crumbs and the Actin Binding Protein Moesin J.Biol.Chem. 2015.
ISSN: ESSN 1083-351X
PubMed: 25792740
DOI: 10.1074/JBC.M115.643791