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Iron 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:

Cobalt (Co) 4 atoms

Iron Binding Sites:

The binding sites of Iron 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 Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Ssopox ASC6 Mutant (L72I-Y99F-I122L-L228M-F229S- W263L), PDB code: 5w3z:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 5w3z

Go back to Iron Binding Sites List in 5w3z
Iron 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 Iron with other atoms in the Fe 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:Fe401

b:15.2
occ:1.00
 OQ1 A:KCX137 2.0 36.6 1.0
OD1 A:ASP256 2.1 42.7 1.0
O A:HOH504 2.1 13.3 1.0
NE2 A:HIS24 2.1 41.9 1.0
NE2 A:HIS22 2.2 49.3 1.0
CX A:KCX137 2.8 36.2 1.0
OQ2 A:KCX137 2.8 35.2 1.0
CG A:ASP256 3.0 48.4 1.0
CD2 A:HIS24 3.1 45.1 1.0
CE1 A:HIS24 3.1 42.2 1.0
CD2 A:HIS22 3.1 49.1 1.0
CE1 A:HIS22 3.2 50.2 1.0
CO A:CO402 3.2 16.3 1.0
OD2 A:ASP256 3.4 44.7 1.0
NZ A:KCX137 3.9 35.7 1.0
ND1 A:HIS24 4.2 43.1 1.0
CG A:HIS24 4.2 45.6 1.0
CG A:HIS22 4.2 47.9 1.0
ND1 A:HIS22 4.3 48.7 1.0
CB A:ASP256 4.3 53.2 1.0
CE1 A:HIS199 4.3 48.9 1.0
O A:HOH547 4.5 34.2 1.0
NE2 A:HIS199 4.5 47.4 1.0
CG A:PRO67 4.8 43.2 1.0
CA A:ASP256 4.8 58.8 1.0

Iron binding site 2 out of 4 in 5w3z

Go back to Iron Binding Sites List in 5w3z
Iron 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 Iron with other atoms in the Fe 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:Fe401

b:16.8
occ:1.00
 OQ2 B:KCX137 1.9 38.7 1.0
OD1 B:ASP256 2.1 42.4 1.0
NE2 B:HIS24 2.1 43.0 1.0
NE2 B:HIS22 2.1 48.4 1.0
O B:HOH505 2.2 14.9 1.0
CX B:KCX137 2.8 38.8 1.0
OQ1 B:KCX137 3.0 39.2 1.0
CE1 B:HIS24 3.0 43.0 1.0
CO B:CO402 3.1 22.4 1.0
CE1 B:HIS22 3.1 48.5 1.0
CG B:ASP256 3.1 51.9 1.0
CD2 B:HIS22 3.2 49.1 1.0
CD2 B:HIS24 3.2 46.0 1.0
OD2 B:ASP256 3.4 53.0 1.0
NZ B:KCX137 4.0 37.2 1.0
CD1 B:LEU263 4.1 92.1 1.0
ND1 B:HIS24 4.2 42.1 1.0
ND1 B:HIS22 4.2 48.3 1.0
CG B:HIS22 4.3 46.3 1.0
CG B:HIS24 4.3 45.1 1.0
CE1 B:HIS199 4.3 52.7 1.0
NE2 B:HIS199 4.3 50.8 1.0
CB B:ASP256 4.6 55.1 1.0
CG B:PRO67 4.8 35.5 1.0
CA B:ASP256 5.0 58.1 1.0

Iron binding site 3 out of 4 in 5w3z

Go back to Iron Binding Sites List in 5w3z
Iron 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 Iron with other atoms in the Fe 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:Fe401

b:21.0
occ:1.00
 O C:HOH503 1.5 5.8 1.0
OQ2 C:KCX137 1.9 37.7 1.0
NE2 C:HIS24 2.0 37.2 1.0
OD1 C:ASP256 2.1 44.8 1.0
NE2 C:HIS22 2.2 37.7 1.0
CD2 C:HIS24 2.9 36.8 1.0
CG C:ASP256 3.0 45.7 1.0
CX C:KCX137 3.0 39.7 1.0
CD2 C:HIS22 3.0 36.6 1.0
CE1 C:HIS24 3.1 37.9 1.0
CE1 C:HIS22 3.3 37.0 1.0
CO C:CO402 3.3 14.7 1.0
OQ1 C:KCX137 3.4 36.1 1.0
OD2 C:ASP256 3.4 42.7 1.0
CG C:HIS24 4.1 37.0 1.0
ND1 C:HIS24 4.1 37.5 1.0
NZ C:KCX137 4.1 42.2 1.0
CG C:HIS22 4.2 38.0 1.0
CB C:ASP256 4.3 47.5 1.0
ND1 C:HIS22 4.3 37.4 1.0
CG C:PRO67 4.4 45.4 1.0
CE1 C:HIS199 4.4 36.8 1.0
O C:HOH536 4.4 69.7 1.0
O C:HOH537 4.5 24.0 1.0
NE2 C:HIS199 4.6 37.2 1.0
CA C:ASP256 4.7 52.3 1.0

Iron binding site 4 out of 4 in 5w3z

Go back to Iron Binding Sites List in 5w3z
Iron 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 Iron with other atoms in the Fe 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:Fe401

b:30.7
occ:1.00
 O D:HOH502 1.9 27.5 1.0
OQ1 D:KCX137 2.0 66.9 1.0
OD1 D:ASP256 2.0 71.9 1.0
NE2 D:HIS24 2.1 61.6 1.0
NE2 D:HIS22 2.2 56.4 1.0
CG D:ASP256 2.9 70.4 1.0
CX D:KCX137 2.9 70.2 1.0
CD2 D:HIS24 3.1 59.7 1.0
CD2 D:HIS22 3.1 55.7 1.0
CE1 D:HIS24 3.1 59.6 1.0
OQ2 D:KCX137 3.1 70.6 1.0
OD2 D:ASP256 3.1 66.1 1.0
CE1 D:HIS22 3.2 55.4 1.0
CO D:CO402 3.6 39.0 1.0
NZ D:KCX137 4.0 73.2 1.0
CB D:ASP256 4.2 70.1 1.0
ND1 D:HIS24 4.2 57.1 1.0
CG D:HIS24 4.2 57.5 1.0
CG D:HIS22 4.3 56.5 1.0
ND1 D:HIS22 4.3 56.7 1.0
CG D:PRO67 4.4 59.2 1.0
CD1 D:LEU263 4.4 90.8 1.0
CD2 D:LEU263 4.5 92.2 1.0
CE1 D:HIS199 4.6 79.5 1.0
CA D:ASP256 4.6 70.7 1.0
NE2 D:HIS199 4.7 78.5 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 Aug 6 11:05:51 2024

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