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Cobalt in PDB 3uf9: Crystal Structure of Ssopox in Complex with the Phosphotriester Fensulfothion

Enzymatic activity of Crystal Structure of Ssopox in Complex with the Phosphotriester Fensulfothion

All present enzymatic activity of Crystal Structure of Ssopox in Complex with the Phosphotriester Fensulfothion:
3.1.8.1;

Protein crystallography data

The structure of Crystal Structure of Ssopox in Complex with the Phosphotriester Fensulfothion, PDB code: 3uf9 was solved by M.Elias, G.Gotthard, J.Hiblot, E.Chabriere, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.47 / 2.68
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 85.730, 103.760, 151.760, 90.00, 90.00, 90.00
R / Rfree (%) 23.9 / 27.5

Other elements in 3uf9:

The structure of Crystal Structure of Ssopox in Complex with the Phosphotriester Fensulfothion also contains other interesting chemical elements:

Iron (Fe) 4 atoms

Cobalt Binding Sites:

The binding sites of Cobalt atom in the Crystal Structure of Ssopox in Complex with the Phosphotriester Fensulfothion (pdb code 3uf9). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 4 binding sites of Cobalt where determined in the Crystal Structure of Ssopox in Complex with the Phosphotriester Fensulfothion, PDB code: 3uf9:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in 3uf9

Go back to Cobalt Binding Sites List in 3uf9
Cobalt binding site 1 out of 4 in the Crystal Structure of Ssopox in Complex with the Phosphotriester Fensulfothion


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure of Ssopox in Complex with the Phosphotriester Fensulfothion within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co316

b:12.2
occ:1.00
ND1 A:HIS170 1.9 21.3 1.0
OQ1 A:KCX137 1.9 20.0 1.0
O A:HOH362 2.1 25.1 1.0
O A:HOH359 2.1 9.1 1.0
NE2 A:HIS199 2.3 27.5 1.0
CE1 A:HIS170 2.8 20.5 1.0
CX A:KCX137 2.9 20.0 1.0
CG A:HIS170 3.0 21.6 1.0
OQ2 A:KCX137 3.1 21.6 1.0
CD2 A:HIS199 3.3 27.2 1.0
CE1 A:HIS199 3.3 29.1 1.0
NH1 A:ARG223 3.3 24.2 1.0
CB A:HIS170 3.4 20.8 1.0
FE A:FE2315 3.7 19.6 1.0
O3 A:FST317 3.9 28.4 0.9
NE2 A:HIS170 4.0 20.0 1.0
CE2 A:TYR97 4.1 19.7 1.0
NZ A:KCX137 4.1 20.0 1.0
CD2 A:HIS170 4.1 21.5 1.0
CE1 A:HIS22 4.1 29.8 1.0
CA A:HIS170 4.2 21.6 1.0
OH A:TYR97 4.3 18.0 1.0
CZ A:ARG223 4.3 27.7 1.0
NE2 A:HIS22 4.4 27.7 1.0
ND1 A:HIS199 4.5 29.7 1.0
CG A:HIS199 4.5 27.5 1.0
S2 A:FST317 4.5 36.1 0.9
OD1 A:ASP256 4.5 24.7 1.0
NE A:ARG223 4.6 28.0 1.0
CE A:KCX137 4.6 19.1 1.0
CZ A:TYR97 4.7 18.4 1.0
OD2 A:ASP256 4.7 26.6 1.0
CG A:ASP256 4.9 26.2 1.0

Cobalt binding site 2 out of 4 in 3uf9

Go back to Cobalt Binding Sites List in 3uf9
Cobalt binding site 2 out of 4 in the Crystal Structure of Ssopox in Complex with the Phosphotriester Fensulfothion


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Crystal Structure of Ssopox in Complex with the Phosphotriester Fensulfothion within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co316

b:14.1
occ:1.00
O B:HOH363 1.8 7.9 1.0
ND1 B:HIS170 1.9 24.4 1.0
NE2 B:HIS199 1.9 25.0 1.0
OQ2 B:KCX137 1.9 19.5 1.0
O B:HOH367 2.3 10.4 1.0
CE1 B:HIS199 2.7 26.4 1.0
CE1 B:HIS170 2.8 24.4 1.0
CX B:KCX137 2.9 18.6 1.0
CG B:HIS170 3.0 24.0 1.0
CD2 B:HIS199 3.1 27.0 1.0
OQ1 B:KCX137 3.1 18.0 1.0
CB B:HIS170 3.4 22.5 1.0
FE B:FE2315 3.7 15.6 1.0
NH1 B:ARG223 3.8 21.7 1.0
ND1 B:HIS199 3.9 25.7 1.0
NE2 B:HIS170 4.0 23.1 1.0
CD2 B:HIS170 4.1 23.6 1.0
CG B:HIS199 4.1 26.3 1.0
NZ B:KCX137 4.2 18.4 1.0
CE1 B:HIS22 4.2 28.4 1.0
NE2 B:HIS22 4.2 27.9 1.0
O3 B:FST317 4.2 24.6 0.9
CA B:HIS170 4.2 22.1 1.0
CE2 B:TYR97 4.2 25.1 1.0
OD1 B:ASP256 4.3 22.8 1.0
CZ B:ARG223 4.3 23.1 1.0
OH B:TYR97 4.4 24.3 1.0
NE B:ARG223 4.5 23.9 1.0
S2 B:FST317 4.7 32.1 0.9
OD2 B:ASP256 4.7 23.4 1.0
CE B:KCX137 4.7 18.1 1.0
CG B:ASP256 4.8 24.3 1.0
CZ B:TYR97 4.8 24.4 1.0

Cobalt binding site 3 out of 4 in 3uf9

Go back to Cobalt Binding Sites List in 3uf9
Cobalt binding site 3 out of 4 in the Crystal Structure of Ssopox in Complex with the Phosphotriester Fensulfothion


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Crystal Structure of Ssopox in Complex with the Phosphotriester Fensulfothion within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Co316

b:22.0
occ:1.00
NE2 C:HIS199 1.9 36.3 1.0
ND1 C:HIS170 1.9 26.8 1.0
OQ2 C:KCX137 1.9 24.9 1.0
O C:HOH347 2.5 8.8 1.0
O C:HOH348 2.6 21.6 1.0
CD2 C:HIS199 2.9 37.8 1.0
CG C:HIS170 2.9 25.4 1.0
CE1 C:HIS199 2.9 36.5 1.0
CE1 C:HIS170 2.9 26.4 1.0
CX C:KCX137 3.1 24.6 1.0
CB C:HIS170 3.2 24.1 1.0
OQ1 C:KCX137 3.4 25.2 1.0
FE C:FE2315 3.6 20.6 1.0
ND1 C:HIS199 4.0 37.8 1.0
CG C:HIS199 4.0 38.0 1.0
NE2 C:HIS170 4.0 26.5 1.0
CD2 C:HIS170 4.0 26.2 1.0
NH1 C:ARG223 4.2 37.6 1.0
CE1 C:HIS22 4.2 25.0 1.0
NZ C:KCX137 4.2 26.0 1.0
NE2 C:HIS22 4.2 25.2 1.0
CA C:HIS170 4.2 26.2 1.0
OH C:TYR97 4.3 32.1 1.0
OD1 C:ASP256 4.3 24.5 1.0
CZ C:ARG223 4.3 35.3 1.0
CE2 C:TYR97 4.4 32.4 1.0
NH2 C:ARG223 4.4 34.4 1.0
CE C:KCX137 4.6 28.6 1.0
CZ C:TYR97 4.8 33.3 1.0
NE C:ARG223 4.8 33.6 1.0
CG C:ASP256 5.0 25.0 1.0
OD2 C:ASP256 5.0 26.9 1.0

Cobalt binding site 4 out of 4 in 3uf9

Go back to Cobalt Binding Sites List in 3uf9
Cobalt binding site 4 out of 4 in the Crystal Structure of Ssopox in Complex with the Phosphotriester Fensulfothion


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of Crystal Structure of Ssopox in Complex with the Phosphotriester Fensulfothion within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Co316

b:15.9
occ:1.00
O D:HOH349 1.9 22.8 1.0
ND1 D:HIS170 1.9 20.7 1.0
NE2 D:HIS199 1.9 23.9 1.0
OQ2 D:KCX137 1.9 21.9 1.0
O D:HOH345 2.1 23.9 1.0
CE1 D:HIS199 2.7 24.0 1.0
CE1 D:HIS170 2.8 21.4 1.0
CG D:HIS170 2.9 20.4 1.0
CX D:KCX137 3.0 24.9 1.0
CD2 D:HIS199 3.1 23.1 1.0
OQ1 D:KCX137 3.3 21.4 1.0
CB D:HIS170 3.3 20.4 1.0
FE D:FE2315 3.5 13.0 1.0
ND1 D:HIS199 3.9 23.4 1.0
NH1 D:ARG223 3.9 24.3 1.0
CE1 D:HIS22 3.9 25.6 1.0
NE2 D:HIS170 4.0 21.9 1.0
CD2 D:HIS170 4.0 21.7 1.0
CG D:HIS199 4.1 23.7 1.0
NZ D:KCX137 4.2 26.4 1.0
NE2 D:HIS22 4.2 25.4 1.0
OD2 D:ASP256 4.3 21.6 1.0
CA D:HIS170 4.3 21.3 1.0
CE2 D:TYR97 4.4 31.4 1.0
CZ D:ARG223 4.4 23.3 1.0
OH D:TYR97 4.5 33.8 1.0
NE D:ARG223 4.7 21.9 1.0
CE D:KCX137 4.7 25.8 1.0
OD1 D:ASP256 4.7 24.3 1.0
CG D:ASP256 4.8 23.6 1.0
S2 D:FST317 4.8 41.1 0.9
CZ D:TYR97 4.9 31.5 1.0

Reference:

J.Hiblot, G.Gotthard, E.Chabriere, M.Elias. Characterisation of the Organophosphate Hydrolase Catalytic Activity of Ssopox Sci Rep V. 2 779 2012.
ISSN: ESSN 2045-2322
PubMed: 23139857
DOI: 10.1038/SREP00779
Page generated: Tue Jul 30 16:42:00 2024

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