Iodine in PDB 2arl: The 2.0 Angstroms Crystal Structure of A Pocilloporin at pH 3.5: the Structural Basis For the Linkage Between Color Transition and Halide Binding

The structure of The 2.0 Angstroms Crystal Structure of A Pocilloporin at pH 3.5: the Structural Basis For the Linkage Between Color Transition and Halide Binding, PDB code: 2arl was solved by P.G.Wilmann, J.Battad, T.Beddoe, S.Olsen, S.C.Smith, S.Dove, R.J.Devenish, J.Rossjohn, M.Prescott, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.00
Space group	P 42 2 2
Cell size a, b, c (Å), α, β, γ (°)	92.770, 92.770, 75.020, 90.00, 90.00, 90.00
R / Rfree (%)	23.7 / 25.3

The structure of The 2.0 Angstroms Crystal Structure of A Pocilloporin at pH 3.5: the Structural Basis For the Linkage Between Color Transition and Halide Binding also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Iodine atom in the The 2.0 Angstroms Crystal Structure of A Pocilloporin at pH 3.5: the Structural Basis For the Linkage Between Color Transition and Halide Binding (pdb code 2arl). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the The 2.0 Angstroms Crystal Structure of A Pocilloporin at pH 3.5: the Structural Basis For the Linkage Between Color Transition and Halide Binding, PDB code: 2arl:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the The 2.0 Angstroms Crystal Structure of A Pocilloporin at pH 3.5: the Structural Basis For the Linkage Between Color Transition and Halide Binding


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of The 2.0 Angstroms Crystal Structure of A Pocilloporin at pH 3.5: the Structural Basis For the Linkage Between Color Transition and Halide Binding within 5.0Å range: probe atom residue distance (Å) B Occ A:I501 b:38.8 occ:1.00 ND2 A:ASN205 3.9 40.0 1.0 CB A:ASN205 4.0 40.0 1.0 CG A:ASN205 4.5 40.6 1.0

Iodine binding site 2 out of 4 in the The 2.0 Angstroms Crystal Structure of A Pocilloporin at pH 3.5: the Structural Basis For the Linkage Between Color Transition and Halide Binding


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of The 2.0 Angstroms Crystal Structure of A Pocilloporin at pH 3.5: the Structural Basis For the Linkage Between Color Transition and Halide Binding within 5.0Å range: probe atom residue distance (Å) B Occ A:I502 b:38.1 occ:1.00 OG A:SER146 3.3 33.1 1.0 O A:HOH547 3.4 25.8 1.0 CB A:LEU199 4.0 34.6 1.0 CB A:ARG197 4.0 31.6 1.0 SD A:MET163 4.0 29.3 1.0 CE A:MET163 4.0 28.1 1.0 CD1 A:CRQ66 4.1 33.0 1.0 CB A:SER146 4.1 31.8 1.0 N A:LEU199 4.2 35.1 1.0 O A:ARG197 4.4 32.8 1.0 N A:SER146 4.5 31.8 1.0 C A:ARG197 4.5 32.7 1.0 O A:GLU144 4.5 28.6 1.0 CE1 A:CRQ66 4.6 33.6 1.0 CD A:ARG197 4.7 31.1 1.0 CB A:TRP143 4.7 28.7 1.0 N A:LYS198 4.7 33.7 1.0 CA A:LEU199 4.8 36.2 1.0 CD1 A:LEU199 4.8 36.4 1.0 C A:LYS198 4.9 36.0 1.0 CA A:LYS198 4.9 35.3 1.0 CA A:ARG197 4.9 31.9 1.0 O A:HOH534 4.9 24.4 1.0 CA A:SER146 4.9 31.8 1.0

Iodine binding site 3 out of 4 in the The 2.0 Angstroms Crystal Structure of A Pocilloporin at pH 3.5: the Structural Basis For the Linkage Between Color Transition and Halide Binding


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of The 2.0 Angstroms Crystal Structure of A Pocilloporin at pH 3.5: the Structural Basis For the Linkage Between Color Transition and Halide Binding within 5.0Å range: probe atom residue distance (Å) B Occ A:I503 b:56.6 occ:1.00 O A:HOH643 3.2 48.6 1.0 C A:ASN128 3.8 28.2 1.0 CA A:ASN128 3.8 28.7 1.0 O A:PHE129 3.9 32.2 1.0 O A:ASN128 4.0 27.3 1.0 C A:PHE129 4.1 29.6 1.0 N A:PHE129 4.2 28.2 1.0 N A:PRO130 4.2 30.8 1.0 CA A:PRO130 4.2 32.5 1.0 CD A:PRO131 4.4 37.4 1.0 CB A:ASN128 4.6 29.8 1.0 OD1 A:ASN128 4.7 33.0 1.0 N A:ASN128 4.8 26.6 1.0 CG A:ASN128 4.8 31.6 1.0 CA A:PHE129 4.8 28.5 1.0 O A:HOH566 4.8 36.3 1.0 ND2 A:ASN23 5.0 32.1 1.0

Iodine binding site 4 out of 4 in the The 2.0 Angstroms Crystal Structure of A Pocilloporin at pH 3.5: the Structural Basis For the Linkage Between Color Transition and Halide Binding


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of The 2.0 Angstroms Crystal Structure of A Pocilloporin at pH 3.5: the Structural Basis For the Linkage Between Color Transition and Halide Binding within 5.0Å range: probe atom residue distance (Å) B Occ A:I504 b:62.0 occ:0.50 CG A:PRO88 3.4 48.9 1.0 CB A:PRO88 3.5 48.3 1.0 C A:PRO88 3.7 46.9 1.0 O A:PRO88 3.8 47.7 1.0 N A:GLU89 3.8 46.5 1.0 CA A:PRO88 4.2 47.7 1.0 CA A:GLU89 4.2 45.9 1.0 CD A:GLU89 4.4 50.7 1.0 OE1 A:GLU89 4.4 49.3 1.0 OE2 A:GLU89 4.5 51.6 1.0 CD A:PRO88 4.7 48.5 1.0 N A:PRO88 4.9 48.3 1.0 CG A:GLU89 5.0 49.3 1.0

P.G.Wilmann, J.Battad, T.Beddoe, S.Olsen, S.C.Smith, S.Dove, R.J.Devenish, J.Rossjohn, M.Prescott. The 2.0 Angstroms Crystal Structure of A Pocilloporin at pH 3.5: the Structural Basis For the Linkage Between Color Transition and Halide Binding Photochem.Photobiol. V. 82 359 2006.
ISSN: ISSN 0031-8655
PubMed: 16613486
DOI: 10.1562/2005-05-02-RA-509