Cadmium 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:

Iodine

(I)

8 atoms

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

Cadmium binding site 1 out of 5 in the Conotoxin From Conus Mucronatus


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Conotoxin From Conus Mucronatus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd104 b:63.8 occ:1.00 ND1 A:HIS70 2.7 67.4 1.0 HZ3 A:LYS73 2.8 83.9 1.0 HB2 A:HIS70 2.9 76.6 1.0 HZ2 A:LYS73 2.9 83.9 1.0 HZ1 A:LYS73 3.1 83.9 1.0 NZ A:LYS73 3.1 70.2 1.0 CG A:HIS70 3.5 79.0 1.0 CB A:HIS70 3.6 64.0 1.0 CE1 A:HIS70 3.7 73.5 1.0 HE1 A:HIS70 3.9 88.0 1.0 I A:IOD101 4.1 85.6 1.0 HA A:HIS70 4.1 73.1 1.0 HB3 A:HIS70 4.4 76.6 1.0 CA A:HIS70 4.4 61.1 1.0 CE A:LYS73 4.6 68.6 1.0 CD2 A:HIS70 4.7 63.7 1.0 HD2 A:LYS73 4.7 79.1 1.0 NE2 A:HIS70 4.7 68.5 1.0 H A:HIS70 4.8 75.3 1.0 N A:HIS70 4.8 63.0 1.0 OD1 A:ASP69 4.9 86.0 1.0

Cadmium binding site 2 out of 5 in the Conotoxin From Conus Mucronatus


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Conotoxin From Conus Mucronatus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd105 b:62.5 occ:1.00 HE2 A:HIS9 2.2 85.4 1.0 HE1 A:HIS9 2.5 82.9 1.0 OD2 A:ASP50 2.7 56.5 1.0 NE2 A:HIS9 2.7 71.4 1.0 O A:ASN6 2.8 75.8 1.0 CE1 A:HIS9 2.9 69.3 1.0 CG A:ASP50 3.4 53.0 1.0 OD1 A:ASP50 3.4 45.1 1.0 HD23 A:LEU7 3.7 72.0 1.0 HH11 A:ARG48 3.8 66.9 1.0 HD22 A:LEU7 3.9 72.0 1.0 HD2 A:ARG48 3.9 60.8 1.0 HA A:LEU7 3.9 72.2 1.0 O A:HOH201 3.9 42.0 1.0 C A:ASN6 4.0 77.5 1.0 CD2 A:HIS9 4.0 71.2 1.0 ND1 A:HIS9 4.1 67.8 1.0 OD1 A:ASN6 4.2 94.5 1.0 CD2 A:LEU7 4.2 60.2 1.0 HD21 A:LEU7 4.5 72.0 1.0 NH1 A:ARG48 4.5 56.0 1.0 HD2 A:HIS9 4.6 85.2 1.0 N A:ASN6 4.6 71.8 1.0 HB2 A:ARG48 4.7 55.7 1.0 CG A:HIS9 4.7 68.8 1.0 CA A:LEU7 4.8 60.4 1.0 CB A:ASP50 4.8 46.5 1.0 HH12 A:ARG48 4.8 66.9 1.0 CD A:ARG48 4.8 50.8 1.0 N A:LEU7 4.8 61.5 1.0 HB3 A:ARG48 4.9 55.7 1.0 HB3 A:ASP50 4.9 55.6 1.0 CA A:ASN6 4.9 77.3 1.0

Cadmium binding site 3 out of 5 in the Conotoxin From Conus Mucronatus


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Conotoxin From Conus Mucronatus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd106 b:51.7 occ:1.00 O A:HOH209 2.7 26.1 1.0 ND1 A:HIS29 2.7 56.8 1.0 O A:HOH206 2.7 45.2 1.0 O A:HOH212 2.7 61.8 1.0 O B:HOH209 2.7 47.6 1.0 HA A:HIS29 3.0 63.4 1.0 HG2 B:ARG48 3.2 59.8 1.0 HB3 A:HIS29 3.4 63.7 1.0 H B:PHE49 3.6 48.3 1.0 CG A:HIS29 3.6 55.4 1.0 HD3 B:ARG48 3.7 61.0 1.0 CE1 A:HIS29 3.7 59.6 1.0 CA A:HIS29 3.8 53.0 1.0 CB A:HIS29 3.8 53.3 1.0 HE1 A:HIS29 3.8 71.2 1.0 CG B:ARG48 4.0 50.0 1.0 HB3 B:ARG48 4.1 60.0 1.0 CD B:ARG48 4.3 51.0 1.0 H A:HIS29 4.4 65.7 1.0 HA B:ARG48 4.4 69.1 1.0 HB3 B:PHE49 4.4 48.8 1.0 N B:PHE49 4.4 40.5 1.0 HB2 B:PHE49 4.5 48.8 1.0 CB B:ARG48 4.5 50.2 1.0 N A:HIS29 4.6 54.9 1.0 HB3 A:TYR31 4.7 57.0 1.0 HB2 A:HIS29 4.8 63.7 1.0 HG3 B:ARG48 4.8 59.8 1.0 NE2 A:HIS29 4.8 61.5 1.0 CD2 A:HIS29 4.8 57.4 1.0 C A:HIS29 4.8 51.4 1.0 CB B:PHE49 4.8 40.9 1.0 CA B:ARG48 4.9 57.8 1.0 HD2 B:ARG48 4.9 61.0 1.0 OH A:TYR59 4.9 54.6 1.0

Cadmium binding site 4 out of 5 in the Conotoxin From Conus Mucronatus


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Conotoxin From Conus Mucronatus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd106 b:42.0 occ:1.00 HE1 B:HIS42 1.9 55.6 1.0 OE2 B:GLU14 2.7 61.6 1.0 OE1 B:GLU14 2.7 45.1 1.0 CE1 B:HIS42 2.7 46.6 1.0 CD B:GLU14 3.0 63.4 1.0 HG21 B:ILE41 3.5 70.3 1.0 ND1 B:HIS42 3.5 45.9 1.0 NE2 B:HIS42 3.8 51.4 1.0 HE2 B:HIS42 3.9 61.4 1.0 HG22 B:ILE41 4.0 70.3 1.0 HD3 B:ARG11 4.1 60.0 1.0 CG2 B:ILE41 4.2 58.8 1.0 HG23 B:ILE41 4.5 70.3 1.0 CG B:GLU14 4.5 44.9 1.0 HD13 B:ILE41 4.5 87.1 1.0 HH11 B:ARG11 4.7 60.7 1.0 HG3 B:GLU14 4.8 53.7 1.0 CG B:HIS42 4.8 53.9 1.0 HB2 B:GLU14 4.8 53.3 1.0 CD2 B:HIS42 4.9 47.4 1.0 CD B:ARG11 5.0 50.2 1.0

Cadmium binding site 5 out of 5 in the Conotoxin From Conus Mucronatus


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 5 of Conotoxin From Conus Mucronatus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd107 b:48.3 occ:1.00 OD2 B:ASP50 2.7 50.9 1.0 NE2 B:HIS9 2.7 57.4 1.0 O B:ASN6 2.7 54.3 1.0 O B:HOH205 2.7 57.8 1.0 HH11 B:ARG48 3.2 65.1 1.0 CD2 B:HIS9 3.5 57.4 1.0 HD2 B:HIS9 3.5 68.6 1.0 CG B:ASP50 3.6 46.7 1.0 CE1 B:HIS9 3.7 59.9 1.0 HD2 B:ARG48 3.8 61.0 1.0 OD1 B:ASP50 3.9 42.6 1.0 C B:ASN6 3.9 50.6 1.0 HE1 B:HIS9 3.9 71.6 1.0 NH1 B:ARG48 3.9 54.5 1.0 HH12 B:ARG48 4.1 65.1 1.0 HD23 B:LEU7 4.1 55.9 1.0 HA B:LEU7 4.1 55.6 1.0 N B:ASN6 4.2 55.5 1.0 HD3 B:ARG48 4.6 61.0 1.0 CD B:ARG48 4.6 51.0 1.0 CA B:ASN6 4.7 58.6 1.0 CG B:HIS9 4.7 64.9 1.0 ND1 B:HIS9 4.8 56.7 1.0 N B:LEU7 4.8 51.8 1.0 CB B:ASP50 4.8 39.2 1.0 OD1 B:ASN6 4.9 67.0 1.0 HB3 B:ASP50 4.9 46.8 1.0 CA B:LEU7 4.9 46.5 1.0 CZ B:ARG48 5.0 56.5 1.0

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