Iodine in PDB 1mou: Crystal Structure of Coral Pigment

The structure of Crystal Structure of Coral Pigment, PDB code: 1mou was solved by M.Prescott, M.Ling, T.Beddoe, A.J.Oakley, S.Dove, O.Hoegh-Guldberg, R.J.Devenish, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.20
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	131.700, 131.700, 150.500, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 24.4

The binding sites of Iodine atom in the Crystal Structure of Coral Pigment (pdb code 1mou). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 5 binding sites of Iodine where determined in the Crystal Structure of Coral Pigment, PDB code: 1mou:
Jump to Iodine binding site number: 1; 2; 3; 4; 5;

Iodine binding site 1 out of 5 in the Crystal Structure of Coral Pigment


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 Coral Pigment within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:33.1 occ:1.00 O A:HOH405 3.4 39.0 1.0 ND2 A:ASN205 3.7 34.2 1.0 O A:HOH369 3.7 37.8 1.0 CB A:ASN205 4.0 33.3 1.0 CG A:ASN205 4.4 36.4 1.0

Iodine binding site 2 out of 5 in the Crystal Structure of Coral Pigment


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 Coral Pigment within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:37.6 occ:1.00 C A:ASN128 3.8 23.1 1.0 CA A:ASN128 3.8 22.3 1.0 O A:ASN128 3.9 24.1 1.0 O A:PHE129 4.0 26.4 1.0 CA A:PRO130 4.1 27.4 1.0 C A:PHE129 4.1 24.9 1.0 N A:PRO130 4.2 25.7 1.0 CD A:PRO131 4.3 32.6 1.0 N A:PHE129 4.4 23.0 1.0 CB A:ASN128 4.7 24.1 1.0 O A:HOH525 4.7 59.9 1.0 OD1 A:ASN128 4.8 29.1 1.0 N A:ASN128 4.9 21.1 1.0 CG A:ASN128 4.9 24.0 1.0 CA A:PHE129 5.0 24.5 1.0

Iodine binding site 3 out of 5 in the Crystal Structure of Coral Pigment


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 Coral Pigment within 5.0Å range: probe atom residue distance (Å) B Occ A:I303 b:51.1 occ:1.00 N A:GLY155 3.4 28.4 1.0 N A:GLY154 3.8 27.4 1.0 O A:HOH421 3.9 45.8 1.0 N A:ARG153 4.0 28.3 1.0 CG A:MET189 4.0 33.9 1.0 CB A:ALA152 4.1 26.9 1.0 CA A:GLY155 4.1 28.7 1.0 C A:ARG153 4.1 28.4 1.0 CA A:ARG153 4.2 28.6 1.0 CE A:MET189 4.3 34.7 1.0 C A:ALA152 4.3 27.9 1.0 C A:GLY154 4.4 29.5 1.0 CA A:GLY154 4.5 28.6 1.0 CB A:MET189 4.7 33.0 1.0 O A:ALA152 4.7 28.0 1.0 CA A:ALA152 4.8 28.3 1.0 O A:HOH499 4.9 49.0 1.0 O A:ARG153 4.9 26.8 1.0 SD A:MET189 4.9 34.1 1.0

Iodine binding site 4 out of 5 in the Crystal Structure of Coral Pigment


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 Coral Pigment within 5.0Å range: probe atom residue distance (Å) B Occ A:I304 b:66.7 occ:1.00 N A:GLY191 3.4 28.3 1.0 CA A:GLY191 3.8 26.9 1.0 O A:HOH420 4.0 56.1 1.0 O A:HOH514 4.1 56.9 1.0 O A:ASP78 4.1 42.3 1.0 CG1 A:ILE79 4.1 36.8 1.0 CG2 A:ILE79 4.2 35.4 1.0 C A:GLY191 4.3 29.2 1.0 CE A:LYS221 4.4 45.5 1.0 CA A:ILE79 4.4 37.5 1.0 CB A:ILE79 4.5 37.1 1.0 CD A:PRO80 4.5 35.7 1.0 O A:GLY191 4.6 28.6 1.0 C A:PRO190 4.6 29.3 1.0 CA A:PRO190 4.9 30.7 1.0 CD1 A:ILE79 4.9 36.6 1.0

Iodine binding site 5 out of 5 in the Crystal Structure of Coral Pigment


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 Coral Pigment within 5.0Å range: probe atom residue distance (Å) B Occ A:I305 b:85.5 occ:1.00 CG2 A:THR43 4.1 36.4 1.0 N A:GLN42 4.1 38.3 1.0 CA A:GLY35 4.1 38.1 1.0 O A:HOH308 4.2 28.8 1.0 CA A:GLN42 4.2 37.8 1.0 C A:GLN42 4.3 35.8 1.0 O A:LYS34 4.3 35.9 1.0 N A:THR43 4.3 34.9 1.0 C A:GLU41 4.3 39.3 1.0 CB A:GLU41 4.4 43.1 1.0 CB A:THR43 4.5 37.0 1.0 O A:GLU41 4.5 40.2 1.0 O A:GLN42 4.8 34.0 1.0 C A:LYS34 4.8 37.8 1.0 N A:GLY35 4.9 37.4 1.0 CA A:GLU41 5.0 39.6 1.0

M.Prescott, M.Ling, T.Beddoe, A.J.Oakley, S.Dove, O.Hoegh-Guldberg, R.J.Devenish, J.Rossjohn. The 2.2 A Crystal Structure of A Pocilloporin Pigment Reveals A Nonplanar Chromophore Conformation. Structure V. 11 275 2003.
ISSN: ISSN 0969-2126
PubMed: 12623015
DOI: 10.1016/S0969-2126(03)00028-5