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Cobalt in PDB 5w3u: Crystal Structure of Ssopox ASB5 Mutant (V27A-I76T-Y97W-Y99F-L130P- L226V)

Enzymatic activity of Crystal Structure of Ssopox ASB5 Mutant (V27A-I76T-Y97W-Y99F-L130P- L226V)

All present enzymatic activity of Crystal Structure of Ssopox ASB5 Mutant (V27A-I76T-Y97W-Y99F-L130P- L226V):
3.1.8.1;

Protein crystallography data

The structure of Crystal Structure of Ssopox ASB5 Mutant (V27A-I76T-Y97W-Y99F-L130P- L226V), PDB code: 5w3u was solved by J.Hiblot, G.Gotthard, P.Jacquet, D.Daude, C.Bergonzi, E.Chabriere, M.Elias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.64 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 82.930, 105.950, 152.830, 90.00, 90.00, 90.00
R / Rfree (%) 21.2 / 27.2

Other elements in 5w3u:

The structure of Crystal Structure of Ssopox ASB5 Mutant (V27A-I76T-Y97W-Y99F-L130P- L226V) 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 ASB5 Mutant (V27A-I76T-Y97W-Y99F-L130P- L226V) (pdb code 5w3u). 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 ASB5 Mutant (V27A-I76T-Y97W-Y99F-L130P- L226V), PDB code: 5w3u:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in 5w3u

Go back to Cobalt Binding Sites List in 5w3u
Cobalt binding site 1 out of 4 in the Crystal Structure of Ssopox ASB5 Mutant (V27A-I76T-Y97W-Y99F-L130P- L226V)


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 ASB5 Mutant (V27A-I76T-Y97W-Y99F-L130P- L226V) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co402

b:92.3
occ:1.00
 NE2 A:HIS199 2.4 93.9 1.0
OQ2 A:KCX137 2.4 58.2 1.0
O A:HOH506 2.5 83.9 1.0
ND1 A:HIS170 2.7 80.3 1.0
FE A:FE401 2.7 65.2 1.0
CE1 A:HIS199 3.0 86.9 1.0
OQ1 A:KCX137 3.1 62.6 1.0
CX A:KCX137 3.1 48.9 1.0
CE1 A:HIS170 3.4 80.0 1.0
CD2 A:HIS199 3.5 76.9 1.0
CG A:HIS170 3.7 62.3 1.0
NE2 A:HIS22 3.8 50.2 1.0
OD1 A:ASP256 3.8 77.4 1.0
OD2 A:ASP256 3.9 98.6 1.0
O A:HOH520 4.0 82.2 1.0
CB A:HIS170 4.1 41.1 1.0
CE1 A:HIS22 4.2 46.7 1.0
ND1 A:HIS199 4.2 59.9 1.0
CG A:ASP256 4.2 91.8 1.0
NH2 A:ARG223 4.2 0.7 1.0
NE1 A:TRP97 4.4 43.4 1.0
NZ A:KCX137 4.4 74.8 1.0
CG A:HIS199 4.5 64.5 1.0
NE2 A:HIS170 4.6 54.3 1.0
NE2 A:HIS24 4.7 67.4 1.0
CD2 A:HIS170 4.8 40.9 1.0
CZ A:ARG223 4.9 0.6 1.0
CD2 A:HIS22 5.0 69.1 1.0
NE A:ARG223 5.0 0.6 1.0

Cobalt binding site 2 out of 4 in 5w3u

Go back to Cobalt Binding Sites List in 5w3u
Cobalt binding site 2 out of 4 in the Crystal Structure of Ssopox ASB5 Mutant (V27A-I76T-Y97W-Y99F-L130P- L226V)


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 ASB5 Mutant (V27A-I76T-Y97W-Y99F-L130P- L226V) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co402

b:55.6
occ:1.00
 ND1 B:HIS170 2.0 78.0 1.0
OQ1 B:KCX137 2.3 67.5 1.0
NE2 B:HIS199 2.4 63.4 1.0
O B:HOH509 2.4 68.6 1.0
CE1 B:HIS170 2.9 72.4 1.0
FE B:FE401 3.1 46.8 1.0
CG B:HIS170 3.1 45.4 1.0
CX B:KCX137 3.3 59.0 1.0
CE1 B:HIS199 3.3 69.9 1.0
CD2 B:HIS199 3.4 50.5 1.0
OQ2 B:KCX137 3.5 53.3 1.0
CB B:HIS170 3.6 46.7 1.0
O B:HOH527 3.8 73.0 1.0
NE1 B:TRP97 3.9 51.6 1.0
NE2 B:HIS170 4.1 46.9 1.0
OD2 B:ASP256 4.1 78.5 1.0
NH1 B:ARG223 4.2 45.2 1.0
CD2 B:HIS170 4.2 59.0 1.0
CE1 B:HIS22 4.2 41.8 1.0
NE2 B:HIS22 4.3 45.4 1.0
ND1 B:HIS199 4.4 70.1 1.0
NZ B:KCX137 4.5 60.9 1.0
CG B:HIS199 4.5 48.5 1.0
OD1 B:ASP256 4.6 81.8 1.0
CA B:HIS170 4.7 51.3 1.0
CG B:ASP256 4.7 79.8 1.0
CD1 B:TRP97 4.8 50.4 1.0
CE2 B:TRP97 4.8 49.2 1.0
CZ B:ARG223 4.8 59.4 1.0
CE B:KCX137 4.9 57.7 1.0

Cobalt binding site 3 out of 4 in 5w3u

Go back to Cobalt Binding Sites List in 5w3u
Cobalt binding site 3 out of 4 in the Crystal Structure of Ssopox ASB5 Mutant (V27A-I76T-Y97W-Y99F-L130P- L226V)


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 ASB5 Mutant (V27A-I76T-Y97W-Y99F-L130P- L226V) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Co402

b:0.0
occ:1.00
 OQ2 C:KCX137 2.2 93.0 1.0
NE2 C:HIS199 2.5 0.3 1.0
CE1 C:HIS199 2.8 0.3 1.0
ND1 C:HIS170 2.9 0.0 1.0
FE C:FE401 3.0 78.4 1.0
CX C:KCX137 3.1 84.2 1.0
OQ1 C:KCX137 3.2 94.7 1.0
CE1 C:HIS170 3.6 0.8 1.0
CG C:HIS170 3.9 0.8 1.0
CD2 C:HIS199 3.9 0.2 1.0
OD1 C:ASP256 4.1 0.4 1.0
ND1 C:HIS199 4.1 0.2 1.0
NE1 C:TRP97 4.2 79.4 1.0
NE2 C:HIS22 4.2 86.9 1.0
CB C:HIS170 4.2 89.2 1.0
OD2 C:ASP256 4.2 0.4 1.0
NZ C:KCX137 4.3 80.9 1.0
CE1 C:HIS22 4.4 62.5 1.0
CG C:ASP256 4.5 0.9 1.0
NH2 C:ARG223 4.6 0.3 1.0
CG C:HIS199 4.6 0.6 1.0
NE2 C:HIS170 4.7 0.1 1.0
CE C:KCX137 4.8 64.7 1.0
CD2 C:HIS170 4.9 0.2 1.0
NE2 C:HIS24 5.0 74.9 1.0

Cobalt binding site 4 out of 4 in 5w3u

Go back to Cobalt Binding Sites List in 5w3u
Cobalt binding site 4 out of 4 in the Crystal Structure of Ssopox ASB5 Mutant (V27A-I76T-Y97W-Y99F-L130P- L226V)


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 ASB5 Mutant (V27A-I76T-Y97W-Y99F-L130P- L226V) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Co402

b:0.2
occ:1.00
 ND1 D:HIS170 1.8 0.4 1.0
CE1 D:HIS170 2.5 0.2 1.0
OQ2 D:KCX137 2.6 0.0 1.0
NE2 D:HIS199 2.7 0.9 1.0
CG D:HIS170 3.0 0.8 1.0
FE D:FE401 3.2 0.5 1.0
NE1 D:TRP97 3.3 0.8 1.0
CD2 D:HIS199 3.4 0.3 1.0
CX D:KCX137 3.5 0.9 1.0
OQ1 D:KCX137 3.5 99.2 1.0
CE1 D:HIS199 3.5 0.4 1.0
CB D:HIS170 3.6 0.3 1.0
NE2 D:HIS170 3.7 0.3 1.0
CD2 D:HIS170 4.0 0.9 1.0
CE2 D:TRP97 4.2 0.2 1.0
CD1 D:TRP97 4.3 98.5 1.0
CZ2 D:TRP97 4.3 0.3 1.0
CG D:HIS199 4.4 0.5 1.0
ND1 D:HIS199 4.5 0.4 1.0
OD2 D:ASP256 4.5 0.7 1.0
CE1 D:HIS22 4.6 0.9 1.0
NZ D:KCX137 4.7 0.1 1.0
NE2 D:HIS22 4.8 1.0 1.0
CA D:HIS170 4.9 0.5 1.0
OD1 D:ASP256 5.0 1.0 1.0

Reference:

P.Jacquet, J.Hiblot, D.Daude, C.Bergonzi, G.Gotthard, N.Armstrong, E.Chabriere, M.Elias. Rational Engineering of A Native Hyperthermostable Lactonase Into A Broad Spectrum Phosphotriesterase. Sci Rep V. 7 16745 2017.
ISSN: ESSN 2045-2322
PubMed: 29196634
DOI: 10.1038/S41598-017-16841-0
Page generated: Tue Jul 30 18:18:07 2024

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