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

Protein crystallography data

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

Other elements in 6oii:

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

Cadmium (Cd) 3 atoms

Cobalt Binding Sites:

The binding sites of Cobalt 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 Cobalt atom.
In total 4 binding sites of Cobalt where determined in the Structure of Aedes Aegypti OBP22 in the Complex with Arachidonic Acid, PDB code: 6oii:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in 6oii

Go back to Cobalt Binding Sites List in 6oii
Cobalt binding site 1 out of 4 in the Structure of Aedes Aegypti OBP22 in the Complex with Arachidonic Acid


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co 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:Co204

b:27.4
occ:0.97
ND1 A:HIS70 2.1 29.8 1.0
NE2 A:HIS74 2.2 36.5 1.0
CE1 A:HIS70 2.8 32.2 1.0
HE1 A:HIS70 2.9 33.1 1.0
HA A:HIS70 3.1 23.9 1.0
CE1 A:HIS74 3.1 38.3 1.0
CG A:HIS70 3.2 28.0 1.0
HE1 A:HIS74 3.2 39.4 1.0
CD2 A:HIS74 3.3 35.0 1.0
HB3 A:HIS70 3.5 25.5 1.0
HD2 A:HIS74 3.6 34.0 1.0
CB A:HIS70 3.7 25.1 1.0
CA A:HIS70 3.8 23.1 1.0
NE2 A:HIS70 3.9 32.1 1.0
CD2 A:HIS70 4.1 29.6 1.0
ND1 A:HIS74 4.3 37.6 1.0
O A:HOH384 4.3 36.2 1.0
CG A:HIS74 4.4 36.0 1.0
HB2 A:HIS70 4.6 24.6 1.0
HE2 A:HIS70 4.7 33.0 1.0
O A:HIS70 4.7 22.5 1.0
C A:HIS70 4.8 22.3 1.0
N A:HIS70 4.8 21.7 1.0
HD2 A:HIS70 5.0 29.4 1.0

Cobalt binding site 2 out of 4 in 6oii

Go back to Cobalt Binding Sites List in 6oii
Cobalt binding site 2 out of 4 in the Structure of Aedes Aegypti OBP22 in the Complex with Arachidonic Acid


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co 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
A:Co205

b:36.1
occ:0.53
OE1 A:GLU79 1.8 44.6 1.0
CD A:GLU79 2.4 43.2 1.0
OE2 A:GLU79 2.4 46.6 1.0
O A:HOH328 2.6 48.6 1.0
HD2 A:ARG82 3.8 27.1 1.0
CG A:GLU79 3.9 41.4 1.0
HG1 A:THR83 4.1 25.2 1.0
OG1 A:THR83 4.2 25.1 1.0
HA A:GLU79 4.3 33.5 1.0
HB3 A:ARG82 4.4 24.4 1.0
O A:GLU79 4.6 30.8 1.0
O A:HOH389 4.6 33.4 1.0
CD A:ARG82 4.8 26.4 1.0
HD11 A:LEU86 4.8 27.9 1.0
CB A:GLU79 4.8 37.6 1.0
CA A:GLU79 5.0 33.7 1.0

Cobalt binding site 3 out of 4 in 6oii

Go back to Cobalt Binding Sites List in 6oii
Cobalt binding site 3 out of 4 in the Structure of Aedes Aegypti OBP22 in the Complex with Arachidonic Acid


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co 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:Co204

b:29.1
occ:1.00
OD1 B:ASP123 2.0 47.5 1.0
ND1 B:HIS74 2.2 27.1 1.0
O B:HOH353 2.2 28.8 1.0
O B:HOH342 2.3 31.5 1.0
CG B:ASP123 2.7 46.9 1.0
OD2 B:ASP123 2.8 45.8 1.0
CE1 B:HIS74 3.1 28.4 1.0
HB3 B:HIS74 3.1 24.7 1.0
HE1 B:HIS74 3.2 29.2 1.0
CG B:HIS74 3.3 26.1 1.0
CB B:HIS74 3.6 24.8 1.0
HB2 B:HIS74 3.8 24.2 1.0
O B:HOH307 4.0 35.8 1.0
CB B:ASP123 4.1 50.8 1.0
O B:ALA118 4.2 32.9 1.0
NE2 B:HIS74 4.3 28.1 1.0
O B:LYS121 4.3 45.3 1.0
HA B:SER119 4.3 30.7 1.0
HA B:ASP123 4.3 54.0 1.0
CD2 B:HIS74 4.4 26.7 1.0
O B:HOH333 4.4 41.3 1.0
O B:HOH326 4.5 26.7 1.0
O B:HOH351 4.7 48.6 1.0
CA B:ASP123 4.8 53.9 1.0
O B:SER119 4.8 32.3 1.0
O B:HOH313 4.9 30.8 1.0

Cobalt binding site 4 out of 4 in 6oii

Go back to Cobalt Binding Sites List in 6oii
Cobalt binding site 4 out of 4 in the Structure of Aedes Aegypti OBP22 in the Complex with Arachidonic Acid


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of Structure of Aedes Aegypti OBP22 in the Complex with Arachidonic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co205

b:31.3
occ:0.55
OE2 B:GLU30 2.5 45.5 1.0
CD B:GLU30 2.9 43.2 1.0
OE1 B:GLU30 2.9 44.3 1.0
HB3 B:GLU30 4.1 39.1 1.0
CG B:GLU30 4.1 40.2 1.0
HG3 B:GLU30 4.4 41.7 1.0
HA B:GLU30 4.6 35.5 1.0
CB B:GLU30 4.6 38.3 1.0
HG2 B:GLU30 4.9 39.4 1.0

Reference:

D.N.Jones, J.Wang. Structure of Aedes Aegypti OBP22 in the Complex with Arachidonic Acid To Be Published.
Page generated: Sun Dec 13 10:51:23 2020

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