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:
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
|