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Cobalt in PDB 5w3z: Crystal Structure of Ssopox ASC6 Mutant (L72I-Y99F-I122L-L228M-F229S- W263L)

Enzymatic activity of Crystal Structure of Ssopox ASC6 Mutant (L72I-Y99F-I122L-L228M-F229S- W263L)

All present enzymatic activity of Crystal Structure of Ssopox ASC6 Mutant (L72I-Y99F-I122L-L228M-F229S- W263L):
3.1.8.1;

Protein crystallography data

The structure of Crystal Structure of Ssopox ASC6 Mutant (L72I-Y99F-I122L-L228M-F229S- W263L), PDB code: 5w3z 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) 46.31 / 2.55
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 81.650, 105.800, 154.530, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 25.2

Other elements in 5w3z:

The structure of Crystal Structure of Ssopox ASC6 Mutant (L72I-Y99F-I122L-L228M-F229S- W263L) 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 ASC6 Mutant (L72I-Y99F-I122L-L228M-F229S- W263L) (pdb code 5w3z). 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 ASC6 Mutant (L72I-Y99F-I122L-L228M-F229S- W263L), PDB code: 5w3z:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in 5w3z

Go back to Cobalt Binding Sites List in 5w3z
Cobalt binding site 1 out of 4 in the Crystal Structure of Ssopox ASC6 Mutant (L72I-Y99F-I122L-L228M-F229S- W263L)


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 ASC6 Mutant (L72I-Y99F-I122L-L228M-F229S- W263L) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co402

b:16.3
occ:1.00
 OQ2 A:KCX137 1.7 35.2 1.0
O A:HOH504 1.8 13.3 1.0
ND1 A:HIS170 2.1 41.1 1.0
NE2 A:HIS199 2.1 47.4 1.0
CX A:KCX137 2.7 36.2 1.0
CE1 A:HIS199 2.9 48.9 1.0
OQ1 A:KCX137 3.0 36.6 1.0
CG A:HIS170 3.0 40.9 1.0
CE1 A:HIS170 3.1 42.2 1.0
FE A:FE401 3.2 15.2 1.0
CD2 A:HIS199 3.2 47.9 1.0
CB A:HIS170 3.3 39.9 1.0
NH2 A:ARG223 3.6 64.7 1.0
NZ A:KCX137 3.9 35.7 1.0
OD2 A:ASP256 4.0 44.7 1.0
CE2 A:TYR97 4.1 43.8 1.0
ND1 A:HIS199 4.1 47.4 1.0
CE1 A:HIS22 4.1 50.2 1.0
NE2 A:HIS22 4.1 49.3 1.0
CA A:HIS170 4.2 39.8 1.0
CD2 A:HIS170 4.2 41.0 1.0
NE2 A:HIS170 4.2 41.4 1.0
OH A:TYR97 4.3 51.3 1.0
CG A:HIS199 4.3 46.5 1.0
CE A:KCX137 4.5 35.7 1.0
OD1 A:ASP256 4.5 42.7 1.0
CG A:ASP256 4.6 48.4 1.0
CZ A:ARG223 4.6 64.4 1.0
CZ A:TYR97 4.6 46.0 1.0
NE A:ARG223 4.7 63.4 1.0
O A:HOH547 5.0 34.2 1.0

Cobalt binding site 2 out of 4 in 5w3z

Go back to Cobalt Binding Sites List in 5w3z
Cobalt binding site 2 out of 4 in the Crystal Structure of Ssopox ASC6 Mutant (L72I-Y99F-I122L-L228M-F229S- W263L)


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 ASC6 Mutant (L72I-Y99F-I122L-L228M-F229S- W263L) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co402

b:22.4
occ:1.00
 OQ1 B:KCX137 2.0 39.2 1.0
O B:HOH505 2.0 14.9 1.0
NE2 B:HIS199 2.1 50.8 1.0
ND1 B:HIS170 2.2 48.3 1.0
CX B:KCX137 2.8 38.8 1.0
CE1 B:HIS199 3.0 52.7 1.0
OQ2 B:KCX137 3.0 38.7 1.0
CE1 B:HIS170 3.0 50.1 1.0
FE B:FE401 3.1 16.8 1.0
CD2 B:HIS199 3.1 52.4 1.0
CG B:HIS170 3.3 46.9 1.0
CB B:HIS170 3.7 45.6 1.0
NH2 B:ARG223 3.8 70.3 1.0
OD2 B:ASP256 4.0 53.0 1.0
CE1 B:HIS22 4.0 48.5 1.0
NE2 B:HIS22 4.0 48.4 1.0
NZ B:KCX137 4.1 37.2 1.0
ND1 B:HIS199 4.1 51.4 1.0
CE2 B:TYR97 4.1 51.2 1.0
CG B:HIS199 4.2 52.1 1.0
NE2 B:HIS170 4.2 49.1 1.0
OH B:TYR97 4.2 57.4 1.0
CD2 B:HIS170 4.3 48.1 1.0
OD1 B:ASP256 4.4 42.4 1.0
CA B:HIS170 4.4 47.1 1.0
CZ B:ARG223 4.5 74.3 1.0
CG B:ASP256 4.6 51.9 1.0
CZ B:TYR97 4.6 54.1 1.0
CD1 B:LEU263 4.6 92.1 1.0
CE B:KCX137 4.7 36.1 1.0
NE B:ARG223 4.7 75.5 1.0

Cobalt binding site 3 out of 4 in 5w3z

Go back to Cobalt Binding Sites List in 5w3z
Cobalt binding site 3 out of 4 in the Crystal Structure of Ssopox ASC6 Mutant (L72I-Y99F-I122L-L228M-F229S- W263L)


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 ASC6 Mutant (L72I-Y99F-I122L-L228M-F229S- W263L) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Co402

b:14.7
occ:1.00
 OQ1 C:KCX137 2.0 36.1 1.0
O C:HOH503 2.0 5.8 1.0
ND1 C:HIS170 2.0 36.0 1.0
NE2 C:HIS199 2.1 37.2 1.0
CX C:KCX137 2.9 39.7 1.0
CE1 C:HIS170 2.9 36.5 1.0
CE1 C:HIS199 2.9 36.8 1.0
CG C:HIS170 3.1 37.9 1.0
OQ2 C:KCX137 3.1 37.7 1.0
CD2 C:HIS199 3.2 37.9 1.0
FE C:FE401 3.3 21.0 1.0
CB C:HIS170 3.5 40.3 1.0
OD2 C:ASP256 4.0 42.7 1.0
NH2 C:ARG223 4.0 48.9 1.0
NE2 C:HIS22 4.0 37.7 1.0
OH C:TYR97 4.0 37.8 1.0
NE2 C:HIS170 4.1 36.4 1.0
CE1 C:HIS22 4.1 37.0 1.0
ND1 C:HIS199 4.1 38.2 1.0
CE2 C:TYR97 4.1 40.9 1.0
NZ C:KCX137 4.2 42.2 1.0
CD2 C:HIS170 4.2 38.2 1.0
CG C:HIS199 4.3 39.2 1.0
CA C:HIS170 4.4 42.3 1.0
CZ C:ARG223 4.5 47.5 1.0
OD1 C:ASP256 4.6 44.8 1.0
CG C:ASP256 4.6 45.7 1.0
CZ C:TYR97 4.6 39.3 1.0
NE C:ARG223 4.7 47.1 1.0
CE C:KCX137 4.7 44.9 1.0
O C:HOH537 4.9 24.0 1.0

Cobalt binding site 4 out of 4 in 5w3z

Go back to Cobalt Binding Sites List in 5w3z
Cobalt binding site 4 out of 4 in the Crystal Structure of Ssopox ASC6 Mutant (L72I-Y99F-I122L-L228M-F229S- W263L)


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 ASC6 Mutant (L72I-Y99F-I122L-L228M-F229S- W263L) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Co402

b:39.0
occ:1.00
 O D:HOH502 1.9 27.5 1.0
OQ2 D:KCX137 1.9 70.6 1.0
ND1 D:HIS170 2.0 67.9 1.0
NE2 D:HIS199 2.1 78.5 1.0
CE1 D:HIS170 2.8 69.2 1.0
CE1 D:HIS199 3.0 79.5 1.0
CX D:KCX137 3.1 70.2 1.0
CD2 D:HIS199 3.1 81.1 1.0
CG D:HIS170 3.1 69.5 1.0
OQ1 D:KCX137 3.5 66.9 1.0
CB D:HIS170 3.6 72.2 1.0
FE D:FE401 3.6 30.7 1.0
OD2 D:ASP256 3.8 66.1 1.0
NH2 D:ARG223 3.8 70.7 1.0
NE2 D:HIS170 4.0 68.8 1.0
OH D:TYR97 4.0 62.4 1.0
CD1 D:LEU263 4.0 90.8 1.0
ND1 D:HIS199 4.1 79.9 1.0
CD2 D:HIS170 4.1 70.3 1.0
NZ D:KCX137 4.2 73.2 1.0
CG D:HIS199 4.2 81.2 1.0
CE2 D:TYR97 4.2 59.9 1.0
CE1 D:HIS22 4.3 55.4 1.0
CZ D:ARG223 4.3 71.6 1.0
NE2 D:HIS22 4.3 56.4 1.0
CA D:HIS170 4.4 74.0 1.0
CG D:ASP256 4.6 70.4 1.0
NE D:ARG223 4.6 71.3 1.0
CE D:KCX137 4.6 76.0 1.0
CZ D:TYR97 4.6 58.8 1.0
OD1 D:ASP256 4.8 71.9 1.0
NH1 D:ARG223 4.9 76.4 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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