Iodine in PDB 7px1: Conotoxin From Conus Mucronatus

The structure of Conotoxin From Conus Mucronatus, PDB code: 7px1 was solved by E.Mueller, C.M.Hackney, L.Ellgaard, J.P.Morth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.94 / 2.33
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	49.3, 109.36, 34.36, 90, 90, 90
R / Rfree (%)	26.1 / 30.8

The structure of Conotoxin From Conus Mucronatus also contains other interesting chemical elements:

Cadmium

(Cd)

5 atoms

The binding sites of Iodine atom in the Conotoxin From Conus Mucronatus (pdb code 7px1). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 8 binding sites of Iodine where determined in the Conotoxin From Conus Mucronatus, PDB code: 7px1:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iodine binding site 1 out of 8 in the Conotoxin From Conus Mucronatus


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Conotoxin From Conus Mucronatus within 5.0Å range: probe atom residue distance (Å) B Occ A:I101 b:85.6 occ:1.00 HB3 A:ASP69 2.9 82.2 1.0 OD2 A:ASP69 3.3 77.0 1.0 CG A:ASP69 3.6 73.2 1.0 CB A:ASP69 3.6 68.7 1.0 HB2 A:ASP69 4.0 82.2 1.0 CD A:CD104 4.1 63.8 1.0 HB2 A:HIS70 4.1 76.6 1.0 H A:HIS70 4.1 75.3 1.0 HB A:THR67 4.2 87.6 1.0 HZ1 A:LYS73 4.4 83.9 1.0 OD1 A:ASP69 4.4 86.0 1.0 N A:HIS70 4.6 63.0 1.0 HZ2 A:LYS73 4.9 83.9 1.0 CA A:ASP69 4.9 63.7 1.0 H A:ASP69 4.9 75.6 1.0

Iodine binding site 2 out of 8 in the Conotoxin From Conus Mucronatus


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Conotoxin From Conus Mucronatus within 5.0Å range: probe atom residue distance (Å) B Occ A:I102 b:70.2 occ:1.00 HG3 A:GLU87 2.7 99.6 1.0 CD A:GLU87 3.4 86.1 1.0 CG A:GLU87 3.4 83.2 1.0 OE1 A:GLU87 3.5 91.8 1.0 HB3 A:GLU87 3.6 90.2 1.0 OE2 A:GLU87 3.9 85.6 1.0 CB A:GLU87 4.0 75.3 1.0 HG2 A:GLU87 4.2 99.6 1.0 HB2 A:GLU87 4.3 90.2 1.0 O B:GLU87 4.4 80.2 1.0 HA B:GLU87 4.5 73.2 1.0 HH12 B:ARG60 4.9 56.1 1.0

Iodine binding site 3 out of 8 in the Conotoxin From Conus Mucronatus


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Conotoxin From Conus Mucronatus within 5.0Å range: probe atom residue distance (Å) B Occ A:I103 b:104.7 occ:1.00 HG1 A:THR80 3.0 75.5 1.0 OG1 A:THR80 3.0 63.1 1.0 OD2 A:ASP82 3.5 92.7 1.0 CG A:ASP82 3.5 94.6 1.0 HB A:THR80 3.6 66.4 1.0 HB2 A:ASP82 3.6 68.9 1.0 OD1 A:ASP82 3.7 93.4 1.0 CB A:THR80 3.8 55.6 1.0 HG21 A:THR80 3.9 68.6 1.0 CB A:ASP82 4.1 57.6 1.0 CG2 A:THR80 4.4 57.4 1.0 H A:ASP82 4.5 63.7 1.0 HB3 A:ASP82 4.7 68.9 1.0 HG23 A:THR80 4.9 68.6 1.0

Iodine binding site 4 out of 8 in the Conotoxin From Conus Mucronatus


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Conotoxin From Conus Mucronatus within 5.0Å range: probe atom residue distance (Å) B Occ B:I101 b:97.5 occ:1.00 HB3 B:ASP69 3.3 69.6 1.0 HG23 B:THR67 3.4 103.6 1.0 HG22 B:THR67 3.6 103.6 1.0 CG2 B:THR67 3.9 86.6 1.0 O B:HOH203 4.0 57.0 1.0 HG21 B:THR67 4.0 103.6 1.0 HB2 B:ASP69 4.0 69.6 1.0 CB B:ASP69 4.1 58.2 1.0 H B:HIS70 4.1 67.4 1.0 HB2 B:HIS70 4.3 72.9 1.0 H B:ASP69 4.7 64.4 1.0 N B:HIS70 4.7 56.4 1.0 OD2 B:ASP69 4.8 72.8 1.0 O B:THR67 4.8 80.0 1.0 CG B:ASP69 4.9 60.7 1.0

Iodine binding site 5 out of 8 in the Conotoxin From Conus Mucronatus


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Conotoxin From Conus Mucronatus within 5.0Å range: probe atom residue distance (Å) B Occ B:I102 b:68.8 occ:1.00 HE2 B:HIS29 2.6 64.4 1.0 NE2 B:HIS29 3.1 53.9 1.0 O B:HOH211 3.2 52.0 1.0 HH12 A:ARG48 3.4 66.9 1.0 HH22 A:ARG48 3.6 69.1 1.0 HD2 B:HIS29 3.6 63.6 1.0 CD2 B:HIS29 3.6 53.2 1.0 NH1 A:ARG48 3.8 56.0 1.0 NH2 A:ARG48 3.9 57.8 1.0 OD2 B:ASP28 4.0 68.3 1.0 CE1 B:HIS29 4.0 52.6 1.0 CZ A:ARG48 4.0 57.5 1.0 HH11 A:ARG48 4.2 66.9 1.0 HE1 B:HIS29 4.3 62.9 1.0 HH21 A:ARG48 4.4 69.1 1.0 I B:IOD103 4.5 119.3 1.0 CG B:HIS29 4.7 51.5 1.0 ND1 B:HIS29 4.9 51.2 1.0 NE A:ARG48 5.0 53.2 1.0 CG B:ASP28 5.0 68.1 1.0

Iodine binding site 6 out of 8 in the Conotoxin From Conus Mucronatus


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Conotoxin From Conus Mucronatus within 5.0Å range: probe atom residue distance (Å) B Occ B:I103 b:119.3 occ:1.00 OD2 B:ASP28 3.1 68.3 1.0 HH21 B:ARG33 3.4 65.7 1.0 OD1 B:ASP28 3.4 56.0 1.0 CG B:ASP28 3.6 68.1 1.0 NH2 B:ARG33 3.9 55.0 1.0 HH22 B:ARG33 3.9 65.7 1.0 HD2 B:HIS29 4.4 63.6 1.0 I B:IOD102 4.5 68.8 1.0 HH21 A:ARG48 4.9 69.1 1.0 CZ B:ARG33 4.9 53.2 1.0 CD2 B:HIS29 5.0 53.2 1.0 HE B:ARG33 5.0 62.3 1.0

Iodine binding site 7 out of 8 in the Conotoxin From Conus Mucronatus


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Conotoxin From Conus Mucronatus within 5.0Å range: probe atom residue distance (Å) B Occ B:I104 b:121.3 occ:1.00 HG1 B:THR80 2.8 65.2 1.0 O B:HOH212 3.0 29.6 1.0 HB2 B:ASP82 3.2 74.5 1.0 OG1 B:THR80 3.4 54.5 1.0 CB B:ASP82 4.1 62.3 1.0 HB B:THR80 4.3 63.0 1.0 HB3 B:ASP82 4.3 74.5 1.0 H B:ASP82 4.4 71.3 1.0 CB B:THR80 4.4 52.7 1.0 HG21 B:THR80 4.7 61.5 1.0 CG B:ASP82 4.8 97.8 1.0 N B:ASP82 5.0 59.6 1.0 OD1 B:ASP82 5.0 84.0 1.0

Iodine binding site 8 out of 8 in the Conotoxin From Conus Mucronatus


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Conotoxin From Conus Mucronatus within 5.0Å range: probe atom residue distance (Å) B Occ B:I105 b:89.2 occ:1.00 HD1 B:HIS29 2.7 61.1 1.0 HA B:HIS29 3.1 59.7 1.0 H A:PHE49 3.2 52.5 1.0 ND1 B:HIS29 3.2 51.2 1.0 CE1 B:HIS29 3.8 52.6 1.0 HB3 B:TYR31 3.9 54.2 1.0 HE1 B:HIS29 3.9 62.9 1.0 HB2 A:PHE49 4.0 52.6 1.0 HB3 A:ARG48 4.0 55.7 1.0 CG B:HIS29 4.0 51.5 1.0 HA A:ARG48 4.0 54.3 1.0 HH B:TYR59 4.0 62.1 1.0 CA B:HIS29 4.0 50.0 1.0 HB3 A:PHE49 4.0 52.6 1.0 N A:PHE49 4.0 44.0 1.0 HD3 A:ARG48 4.1 60.8 1.0 HB3 B:HIS29 4.1 60.0 1.0 CB B:HIS29 4.3 50.2 1.0 CB A:PHE49 4.4 44.0 1.0 H B:ALA32 4.5 54.5 1.0 H B:HIS29 4.6 61.1 1.0 HE2 B:TYR59 4.6 59.3 1.0 OH B:TYR59 4.6 52.0 1.0 H B:TYR31 4.6 54.9 1.0 CA A:ARG48 4.7 45.5 1.0 CB A:ARG48 4.7 46.7 1.0 HB2 B:ALA32 4.8 56.0 1.0 CB B:TYR31 4.8 45.4 1.0 NE2 B:HIS29 4.8 53.9 1.0 N B:HIS29 4.8 51.1 1.0 C B:HIS29 4.9 48.5 1.0 CA A:PHE49 4.9 55.0 1.0 C A:ARG48 4.9 43.8 1.0 CD2 B:HIS29 4.9 53.2 1.0 HB2 B:TYR31 4.9 54.2 1.0 H A:ASP50 5.0 51.3 1.0 CD A:ARG48 5.0 50.8 1.0

E.Mueller, C.M.Hackney, L.Ellgaard, J.P.Morth. Conotoxin From Conus Mucronatus To Be Published.