Iodine in PDB 1l0s: Choristoneura Fumiferana (Spruce Budworm) Antifreeze Protein Isoform 337

The structure of Choristoneura Fumiferana (Spruce Budworm) Antifreeze Protein Isoform 337, PDB code: 1l0s was solved by E.K.Leinala, P.L.Davies, Z.Jia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.79 / 2.30
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	128.400, 128.400, 68.320, 90.00, 90.00, 120.00
R / Rfree (%)	22.3 / 26.4

The structure of Choristoneura Fumiferana (Spruce Budworm) Antifreeze Protein Isoform 337 also contains other interesting chemical elements:

Cadmium

(Cd)

2 atoms

The binding sites of Iodine atom in the Choristoneura Fumiferana (Spruce Budworm) Antifreeze Protein Isoform 337 (pdb code 1l0s). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 8 binding sites of Iodine where determined in the Choristoneura Fumiferana (Spruce Budworm) Antifreeze Protein Isoform 337, PDB code: 1l0s:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iodine binding site 1 out of 8 in the Choristoneura Fumiferana (Spruce Budworm) Antifreeze Protein Isoform 337


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Choristoneura Fumiferana (Spruce Budworm) Antifreeze Protein Isoform 337 within 5.0Å range: probe atom residue distance (Å) B Occ A:I26 b:51.9 occ:1.00 I1 A:TYI26 0.0 51.9 1.0 CE1 A:TYI26 2.1 28.4 1.0 OE1 C:GLN10 2.6 43.1 1.0 CZ A:TYI26 3.0 40.0 1.0 CD1 A:TYI26 3.0 32.8 1.0 OH A:TYI26 3.2 48.2 1.0 CD C:GLN10 3.8 56.4 1.0 N A:SER12 4.0 54.4 1.0 CD1 C:TYI26 4.0 35.3 1.0 C A:LEU11 4.1 53.2 1.0 O A:GLN10 4.2 53.6 1.0 CA A:SER12 4.2 55.5 1.0 CE2 A:TYI26 4.3 39.1 1.0 CG A:TYI26 4.3 40.1 1.0 O A:LEU11 4.3 48.7 1.0 O A:VAL27 4.4 40.4 1.0 CB C:GLN10 4.4 49.1 1.0 CE1 C:TYI26 4.4 43.3 1.0 CG C:GLN10 4.5 39.9 1.0 C A:GLN10 4.5 47.9 1.0 CA A:LEU11 4.6 55.6 1.0 CG C:TYI26 4.6 47.5 1.0 CB A:SER12 4.6 57.5 1.0 N A:LEU11 4.7 47.7 1.0 CB A:GLN10 4.7 48.1 1.0 I1 C:TYI26 4.8 54.1 1.0 NE2 C:GLN10 4.8 56.2 1.0 CD2 A:TYI26 4.8 36.2 1.0 CB C:TYI26 5.0 38.2 1.0

Iodine binding site 2 out of 8 in the Choristoneura Fumiferana (Spruce Budworm) Antifreeze Protein Isoform 337


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Choristoneura Fumiferana (Spruce Budworm) Antifreeze Protein Isoform 337 within 5.0Å range: probe atom residue distance (Å) B Occ A:I26 b:55.4 occ:1.00 I2 A:TYI26 0.0 55.4 1.0 CE2 A:TYI26 2.1 39.1 1.0 CZ A:TYI26 3.0 40.0 1.0 CD2 A:TYI26 3.0 36.2 1.0 OH A:TYI26 3.1 48.2 1.0 CZ C:ARG41 3.5 71.5 1.0 NE C:ARG41 3.5 66.5 1.0 NH2 C:ARG41 3.8 69.7 1.0 CB A:ASP28 3.9 53.2 1.0 NH1 C:ARG41 3.9 66.0 1.0 CD C:ARG41 4.0 49.5 1.0 CD2 C:TYI26 4.1 29.2 1.0 I2 C:TYI26 4.3 54.4 1.0 CE1 A:TYI26 4.3 28.4 1.0 CE2 C:TYI26 4.3 39.5 1.0 CG A:TYI26 4.3 40.1 1.0 CG A:ASP28 4.4 60.6 1.0 OD2 A:ASP28 4.4 52.2 1.0 NH2 A:ARG41 4.4 82.0 1.0 CB A:ASP43 4.5 59.5 1.0 CG C:ARG41 4.5 52.9 1.0 NE A:ARG41 4.7 76.6 1.0 CG A:ASP43 4.7 70.3 1.0 OD1 A:ASP43 4.7 69.7 1.0 CD1 A:TYI26 4.8 32.8 1.0 CZ A:ARG41 4.8 75.8 1.0 CG C:TYI26 4.9 47.5 1.0

Iodine binding site 3 out of 8 in the Choristoneura Fumiferana (Spruce Budworm) Antifreeze Protein Isoform 337


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Choristoneura Fumiferana (Spruce Budworm) Antifreeze Protein Isoform 337 within 5.0Å range: probe atom residue distance (Å) B Occ B:I26 b:39.0 occ:1.00 I1 B:TYI26 0.0 39.0 1.0 CE1 B:TYI26 2.0 19.1 1.0 CD1 B:TYI26 3.0 23.8 1.0 CZ B:TYI26 3.1 39.6 1.0 OH B:TYI26 3.4 42.7 1.0 N B:SER12 4.1 37.6 1.0 CA B:SER12 4.3 41.9 1.0 CG B:TYI26 4.3 29.5 1.0 CE2 B:TYI26 4.3 39.4 1.0 O B:VAL27 4.3 27.8 1.0 O B:GLN10 4.3 35.5 1.0 C B:LEU11 4.4 36.7 1.0 CB B:SER12 4.5 38.0 1.0 C B:GLN10 4.6 29.7 1.0 CB B:GLN10 4.7 39.5 1.0 O B:LEU11 4.8 35.6 1.0 CD2 B:TYI26 4.8 24.9 1.0 N B:LEU11 4.9 39.2 1.0 CA B:LEU11 4.9 44.1 1.0

Iodine binding site 4 out of 8 in the Choristoneura Fumiferana (Spruce Budworm) Antifreeze Protein Isoform 337


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Choristoneura Fumiferana (Spruce Budworm) Antifreeze Protein Isoform 337 within 5.0Å range: probe atom residue distance (Å) B Occ B:I26 b:44.8 occ:1.00 I2 B:TYI26 0.0 44.8 1.0 CE2 B:TYI26 2.1 39.4 1.0 OH B:TYI26 2.9 42.7 1.0 CZ B:TYI26 3.0 39.6 1.0 CD2 B:TYI26 3.0 24.9 1.0 CD B:ARG41 4.0 44.9 1.0 CB B:ASP28 4.0 33.5 1.0 CE1 B:TYI26 4.3 19.1 1.0 CG B:ARG41 4.3 48.0 1.0 O B:HOH141 4.3 40.7 1.0 CG B:TYI26 4.3 29.5 1.0 OD2 B:ASP43 4.5 38.7 1.0 OD2 B:ASP28 4.5 31.5 1.0 CG B:ASP28 4.6 42.9 1.0 CG B:ASP43 4.6 30.6 1.0 O B:HOH142 4.7 49.9 1.0 CB B:ASP43 4.7 22.6 1.0 CD1 B:TYI26 4.8 23.8 1.0 O B:HOH91 4.9 36.9 1.0 NH2 B:ARG41 5.0 33.4 1.0

Iodine binding site 5 out of 8 in the Choristoneura Fumiferana (Spruce Budworm) Antifreeze Protein Isoform 337


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Choristoneura Fumiferana (Spruce Budworm) Antifreeze Protein Isoform 337 within 5.0Å range: probe atom residue distance (Å) B Occ C:I26 b:54.1 occ:1.00 I1 C:TYI26 0.0 54.1 1.0 CE1 C:TYI26 2.1 43.3 1.0 OE1 A:GLN10 2.6 47.1 1.0 CZ C:TYI26 3.0 48.4 1.0 CD1 C:TYI26 3.0 35.3 1.0 OH C:TYI26 3.2 54.7 1.0 CD A:GLN10 3.7 65.7 1.0 CD1 A:TYI26 4.0 32.8 1.0 N C:SER12 4.1 49.8 1.0 O A:HOH106 4.1 54.5 1.0 CB A:GLN10 4.2 48.1 1.0 CA C:SER12 4.2 52.1 1.0 O C:GLN10 4.3 41.3 1.0 CE2 C:TYI26 4.3 39.5 1.0 CG C:TYI26 4.3 47.5 1.0 CB C:SER12 4.4 46.8 1.0 CG A:GLN10 4.4 48.0 1.0 C C:LEU11 4.4 47.7 1.0 CE1 A:TYI26 4.5 28.4 1.0 O C:VAL27 4.5 44.5 1.0 NE2 A:GLN10 4.6 70.6 1.0 CG A:TYI26 4.6 40.1 1.0 C C:GLN10 4.7 43.7 1.0 I1 A:TYI26 4.8 51.9 1.0 CB C:GLN10 4.8 49.1 1.0 O C:LEU11 4.8 53.4 1.0 CD2 C:TYI26 4.8 29.2 1.0 CB C:ASP28 5.0 51.5 1.0 OD1 C:ASP28 5.0 51.5 1.0 CB A:TYI26 5.0 36.4 1.0 CA C:LEU11 5.0 50.6 1.0

Iodine binding site 6 out of 8 in the Choristoneura Fumiferana (Spruce Budworm) Antifreeze Protein Isoform 337


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Choristoneura Fumiferana (Spruce Budworm) Antifreeze Protein Isoform 337 within 5.0Å range: probe atom residue distance (Å) B Occ C:I26 b:54.4 occ:1.00 I2 C:TYI26 0.0 54.4 1.0 CE2 C:TYI26 2.0 39.5 1.0 CD2 C:TYI26 3.0 29.2 1.0 CZ C:TYI26 3.0 48.4 1.0 OH C:TYI26 3.1 54.7 1.0 NH1 A:ARG41 3.5 76.8 1.0 CZ A:ARG41 3.6 75.8 1.0 NE A:ARG41 3.7 76.6 1.0 CD A:ARG41 4.0 67.2 1.0 OD1 C:ASP43 4.0 73.9 1.0 CD2 A:TYI26 4.0 36.2 1.0 CB C:ASP28 4.1 51.5 1.0 NH2 A:ARG41 4.1 82.0 1.0 CE2 A:TYI26 4.2 39.1 1.0 CG C:ASP43 4.2 69.0 1.0 CE1 C:TYI26 4.3 43.3 1.0 I2 A:TYI26 4.3 55.4 1.0 CG C:TYI26 4.3 47.5 1.0 CB C:ASP43 4.3 61.0 1.0 O A:HOH115 4.4 67.6 1.0 OD2 C:ASP28 4.6 57.5 1.0 CG C:ASP28 4.6 45.0 1.0 CG A:TYI26 4.8 40.1 1.0 CG A:ARG41 4.8 56.8 1.0 CD1 C:TYI26 4.8 35.3 1.0 O C:PHE42 4.8 43.3 1.0 OD2 C:ASP43 4.8 68.7 1.0

Iodine binding site 7 out of 8 in the Choristoneura Fumiferana (Spruce Budworm) Antifreeze Protein Isoform 337


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Choristoneura Fumiferana (Spruce Budworm) Antifreeze Protein Isoform 337 within 5.0Å range: probe atom residue distance (Å) B Occ D:I26 b:36.8 occ:1.00 I1 D:TYI26 0.0 36.8 1.0 CE1 D:TYI26 2.0 13.2 1.0 CD1 D:TYI26 3.0 40.1 1.0 CZ D:TYI26 3.0 36.4 1.0 OH D:TYI26 3.2 41.4 1.0 N D:SER12 4.1 36.3 1.0 O D:GLN10 4.2 36.8 1.0 CB D:GLN10 4.3 48.5 1.0 CA D:SER12 4.3 28.4 1.0 CG D:TYI26 4.3 18.5 1.0 O D:VAL27 4.3 37.2 1.0 CE2 D:TYI26 4.3 30.8 1.0 C D:LEU11 4.4 38.9 1.0 O D:HOH209 4.4 38.7 1.0 CB D:SER12 4.5 29.4 1.0 C D:GLN10 4.5 32.6 1.0 O D:LEU11 4.8 31.8 1.0 N D:LEU11 4.8 38.9 1.0 CD2 D:TYI26 4.8 30.9 1.0 OD1 D:ASP28 4.8 38.2 1.0 CA D:LEU11 4.9 36.6 1.0 C D:VAL27 5.0 31.5 1.0

Iodine binding site 8 out of 8 in the Choristoneura Fumiferana (Spruce Budworm) Antifreeze Protein Isoform 337


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Choristoneura Fumiferana (Spruce Budworm) Antifreeze Protein Isoform 337 within 5.0Å range: probe atom residue distance (Å) B Occ D:I26 b:38.8 occ:1.00 I2 D:TYI26 0.0 38.8 1.0 CE2 D:TYI26 2.1 30.8 1.0 CD2 D:TYI26 3.0 30.9 1.0 CZ D:TYI26 3.1 36.4 1.0 OH D:TYI26 3.2 41.4 1.0 OD2 D:ASP43 3.3 51.8 1.0 CB D:ASP28 4.0 26.4 1.0 CG D:ASP43 4.2 50.7 1.0 CB D:ASP43 4.3 48.6 1.0 CG D:TYI26 4.3 18.5 1.0 CE1 D:TYI26 4.4 13.2 1.0 CG D:ASP28 4.6 27.0 1.0 OD2 D:ASP28 4.6 36.3 1.0 O D:PHE42 4.7 34.6 1.0 CD1 D:TYI26 4.9 40.1 1.0

E.K.Leinala, P.L.Davies, Z.Jia. Crystal Structure of Beta-Helical Antifreeze Protein Points to A General Ice Binding Model. Structure V. 10 619 2002.
ISSN: ISSN 0969-2126
PubMed: 12015145
DOI: 10.1016/S0969-2126(02)00745-1