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Iron in PDB 5vri: Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form

Enzymatic activity of Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form

All present enzymatic activity of Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form:
3.1.8.1;

Protein crystallography data

The structure of Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form, PDB code: 5vri 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) 48.71 / 2.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 87.170, 103.610, 152.610, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 21.4

Other elements in 5vri:

The structure of Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form 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 ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form (pdb code 5vri). 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 ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form, PDB code: 5vri:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 5vri

Go back to Iron Binding Sites List in 5vri
Iron binding site 1 out of 4 in the Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form


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 ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe402

b:8.4
occ:1.00
 NE2 A:HIS22 1.9 15.4 1.0
NE2 A:HIS24 1.9 12.8 1.0
OQ1 A:KCX137 2.0 13.7 1.0
O A:HOH530 2.0 13.7 1.0
OD1 A:ASP256 2.1 13.7 1.0
CE1 A:HIS24 2.8 12.0 1.0
CE1 A:HIS22 2.8 15.9 1.0
CD2 A:HIS22 2.9 14.9 1.0
CX A:KCX137 3.0 13.0 1.0
CD2 A:HIS24 3.0 12.2 1.0
CG A:ASP256 3.0 14.7 1.0
OQ2 A:KCX137 3.3 13.6 1.0
OD2 A:ASP256 3.3 14.3 1.0
CO A:CO401 3.4 12.1 1.0
ND1 A:HIS24 3.9 11.5 1.0
ND1 A:HIS22 3.9 14.7 1.0
O A:HOH630 4.0 27.6 1.0
CG A:HIS22 4.0 14.8 1.0
CG A:HIS24 4.1 12.3 1.0
NZ A:KCX137 4.1 13.0 1.0
O1 A:EDO403 4.1 37.4 1.0
CE1 A:HIS199 4.3 15.7 1.0
CB A:ASP256 4.3 15.9 1.0
CG A:PRO67 4.4 16.2 1.0
NE2 A:HIS199 4.4 16.5 1.0
CA A:ASP256 4.8 16.0 1.0

Iron binding site 2 out of 4 in 5vri

Go back to Iron Binding Sites List in 5vri
Iron binding site 2 out of 4 in the Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form


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 ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe402

b:10.9
occ:1.00
 NE2 B:HIS24 1.9 14.0 1.0
NE2 B:HIS22 1.9 15.2 1.0
OQ2 B:KCX137 2.0 13.7 1.0
O B:HOH523 2.0 12.5 1.0
OD1 B:ASP256 2.0 14.4 1.0
CE1 B:HIS24 2.8 13.9 1.0
CE1 B:HIS22 2.8 14.2 1.0
CD2 B:HIS22 3.0 13.6 1.0
CD2 B:HIS24 3.0 14.7 1.0
CG B:ASP256 3.0 16.6 1.0
CX B:KCX137 3.0 13.6 1.0
OQ1 B:KCX137 3.3 14.4 1.0
OD2 B:ASP256 3.4 14.4 1.0
CO B:CO401 3.5 13.9 1.0
ND1 B:HIS24 3.9 13.4 1.0
ND1 B:HIS22 3.9 14.9 1.0
CG B:HIS24 4.0 14.2 1.0
CG B:HIS22 4.1 15.0 1.0
NZ B:KCX137 4.1 14.1 1.0
O B:HOH518 4.1 26.5 1.0
CE1 B:HIS199 4.3 15.3 1.0
CB B:ASP256 4.3 14.8 1.0
CG B:PRO67 4.3 16.4 1.0
NE2 B:HIS199 4.5 15.1 1.0
O2 B:EDO404 4.5 34.5 1.0
CA B:ASP256 4.8 15.5 1.0
O B:ASP256 4.9 20.8 1.0

Iron binding site 3 out of 4 in 5vri

Go back to Iron Binding Sites List in 5vri
Iron binding site 3 out of 4 in the Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form


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 ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe402

b:9.3
occ:1.00
 NE2 C:HIS24 1.9 13.7 1.0
NE2 C:HIS22 1.9 16.2 1.0
OQ2 C:KCX137 2.0 14.8 1.0
O C:HOH506 2.0 14.8 1.0
OD1 C:ASP256 2.1 14.5 1.0
CE1 C:HIS22 2.7 16.0 1.0
CE1 C:HIS24 2.8 12.8 1.0
CX C:KCX137 2.9 15.0 1.0
CD2 C:HIS24 3.0 12.7 1.0
CD2 C:HIS22 3.0 14.5 1.0
CG C:ASP256 3.0 15.7 1.0
OQ1 C:KCX137 3.2 15.2 1.0
OD2 C:ASP256 3.4 17.0 1.0
CO C:CO401 3.4 12.0 1.0
ND1 C:HIS22 3.9 15.2 1.0
ND1 C:HIS24 3.9 12.2 1.0
CG C:HIS24 4.0 12.9 1.0
NZ C:KCX137 4.1 15.2 1.0
CG C:HIS22 4.1 15.1 1.0
O C:HOH599 4.1 21.4 1.0
CE1 C:HIS199 4.2 16.7 1.0
CB C:ASP256 4.4 16.1 1.0
CG C:PRO67 4.4 16.2 1.0
NE2 C:HIS199 4.4 17.0 1.0
O2 C:EDO403 4.5 38.5 1.0
CA C:ASP256 4.8 14.3 1.0

Iron binding site 4 out of 4 in 5vri

Go back to Iron Binding Sites List in 5vri
Iron binding site 4 out of 4 in the Crystal Structure of Ssopox ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form


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 ASA6 Mutant (F46L-C258A-W263M-I280T) - Closed Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe402

b:9.3
occ:1.00
 NE2 D:HIS24 1.9 16.6 1.0
NE2 D:HIS22 1.9 17.2 1.0
OQ2 D:KCX137 2.0 15.4 1.0
O D:HOH506 2.0 13.3 1.0
OD1 D:ASP256 2.0 16.4 1.0
CE1 D:HIS22 2.8 15.3 1.0
CE1 D:HIS24 2.8 16.6 1.0
CD2 D:HIS24 3.0 15.7 1.0
CD2 D:HIS22 3.0 15.6 1.0
CX D:KCX137 3.0 16.6 1.0
CG D:ASP256 3.0 19.4 1.0
OQ1 D:KCX137 3.3 18.8 1.0
OD2 D:ASP256 3.5 18.9 1.0
CO D:CO401 3.5 14.0 1.0
ND1 D:HIS22 3.9 14.8 1.0
ND1 D:HIS24 3.9 14.8 1.0
O D:HOH610 4.0 25.9 1.0
CG D:HIS24 4.1 15.5 1.0
CG D:HIS22 4.1 15.4 1.0
NZ D:KCX137 4.1 17.0 1.0
CE1 D:HIS199 4.3 24.3 1.0
CB D:ASP256 4.3 18.6 1.0
CG D:PRO67 4.5 16.2 1.0
NE2 D:HIS199 4.5 26.7 1.0
O2 D:EDO404 4.6 39.3 1.0
CA D:ASP256 4.7 19.9 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 10:30:52 2024

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