Cadmium in PDB 6oii: Structure of Aedes Aegypti OBP22 in the Complex with Arachidonic Acid

The structure of Structure of Aedes Aegypti OBP22 in the Complex with Arachidonic Acid, PDB code: 6oii was solved by D.N.Jones, J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.90 / 1.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	111.210, 40.844, 56.278, 90.00, 117.24, 90.00
R / Rfree (%)	18.9 / 22.6

The structure of Structure of Aedes Aegypti OBP22 in the Complex with Arachidonic Acid also contains other interesting chemical elements:

Cobalt

(Co)

4 atoms

The binding sites of Cadmium atom in the Structure of Aedes Aegypti OBP22 in the Complex with Arachidonic Acid (pdb code 6oii). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 3 binding sites of Cadmium where determined in the Structure of Aedes Aegypti OBP22 in the Complex with Arachidonic Acid, PDB code: 6oii:
Jump to Cadmium binding site number: 1; 2; 3;

Cadmium binding site 1 out of 3 in the Structure of Aedes Aegypti OBP22 in the Complex with Arachidonic Acid


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Structure of Aedes Aegypti OBP22 in the Complex with Arachidonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd203 b:23.0 occ:1.00 OD1 A:ASP41 2.2 25.1 1.0 NE2 A:HIS99 2.2 20.1 1.0 OE1 B:GLU39 2.2 34.9 1.0 OE2 B:GLU39 2.4 35.9 1.0 CD B:GLU39 2.6 34.3 1.0 OD2 A:ASP41 2.6 27.2 1.0 CG A:ASP41 2.7 25.4 1.0 CE1 A:HIS99 3.0 21.4 1.0 HE1 A:HIS99 3.1 22.0 1.0 CD2 A:HIS99 3.3 19.7 1.0 HD2 A:HIS99 3.6 19.0 1.0 HD21 A:ASN96 3.7 22.9 1.0 HD22 A:ASN96 4.1 23.6 1.0 CG B:GLU39 4.1 34.1 1.0 ND2 A:ASN96 4.1 23.0 1.0 ND1 A:HIS99 4.2 20.9 1.0 CB A:ASP41 4.2 24.5 1.0 O A:HOH352 4.2 32.2 1.0 CG A:HIS99 4.4 19.3 1.0 O A:HOH383 4.5 31.9 1.0 HA A:ASP41 4.5 22.9 1.0 HG3 B:GLU39 4.6 33.8 1.0 HG2 B:GLU39 4.6 33.0 1.0 HB3 A:ASP41 4.6 24.1 1.0 HB2 A:ASP41 4.7 25.2 1.0 HB2 B:GLU39 4.8 34.0 1.0 HB3 B:GLU39 4.8 33.2 1.0 CB B:GLU39 4.9 33.1 1.0 CA A:ASP41 4.9 23.4 1.0 HD1 A:HIS99 4.9 21.1 1.0

Cadmium binding site 2 out of 3 in the Structure of Aedes Aegypti OBP22 in the Complex with Arachidonic Acid


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Structure of Aedes Aegypti OBP22 in the Complex with Arachidonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd202 b:24.8 occ:1.00 NE2 B:HIS70 2.3 24.4 1.0 OD2 B:ASP66 2.4 23.0 1.0 OD1 B:ASP66 2.5 22.4 1.0 O B:HOH372 2.7 28.4 1.0 CG B:ASP66 2.8 21.9 1.0 CD2 B:HIS70 3.3 23.3 1.0 CE1 B:HIS70 3.3 26.0 1.0 HD2 B:HIS70 3.4 23.0 1.0 HE1 B:HIS70 3.4 26.2 1.0 CB B:ASP66 4.3 20.7 1.0 ND1 B:HIS70 4.4 25.2 1.0 CG B:HIS70 4.4 23.5 1.0 O B:HOH314 4.4 31.1 1.0 HB2 B:ASP66 4.7 21.1 1.0 HB3 B:ASP66 4.7 20.9 1.0 HA B:ASP66 4.9 19.7 1.0 O B:HOH349 4.9 27.4 1.0

Cadmium binding site 3 out of 3 in the Structure of Aedes Aegypti OBP22 in the Complex with Arachidonic Acid


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Structure of Aedes Aegypti OBP22 in the Complex with Arachidonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd203 b:35.0 occ:1.00 OD1 B:ASP41 2.2 25.0 1.0 NE2 B:HIS99 2.2 24.5 1.0 OE2 A:GLU39 2.2 37.3 1.0 OD2 B:ASP41 2.4 29.3 1.0 OE1 A:GLU39 2.5 37.2 1.0 CG B:ASP41 2.6 25.8 1.0 CD A:GLU39 2.7 35.6 1.0 CE1 B:HIS99 3.0 25.4 1.0 HE1 B:HIS99 3.1 26.4 1.0 HD21 B:ASN96 3.2 29.1 1.0 CD2 B:HIS99 3.3 22.6 1.0 HD2 B:HIS99 3.6 22.2 1.0 ND2 B:ASN96 3.9 29.4 1.0 CB B:ASP41 4.1 25.2 1.0 HD22 B:ASN96 4.1 30.1 1.0 CG A:GLU39 4.1 33.8 1.0 ND1 B:HIS99 4.2 24.4 1.0 CG B:HIS99 4.4 22.4 1.0 HG2 A:GLU39 4.4 33.0 1.0 O B:HOH377 4.5 40.3 1.0 HB3 B:ASP41 4.5 25.1 1.0 HB2 B:ASP41 4.6 25.7 1.0 HA B:ASP41 4.6 24.0 1.0 HG3 A:GLU39 4.6 33.2 1.0 CA B:ASP41 4.9 24.5 1.0 CG B:ASN96 4.9 27.7 1.0 HB2 A:GLU39 4.9 34.5 1.0 HD1 B:HIS99 5.0 24.6 1.0 H B:ASP41 5.0 25.5 1.0 HB3 A:GLU39 5.0 33.8 1.0

D.N.Jones, J.Wang. Structure of Aedes Aegypti OBP22 in the Complex with Arachidonic Acid To Be Published.