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Iron 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:

Cobalt (Co) 4 atoms

Iron Binding Sites:

The binding sites of Iron 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 Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Ssopox ASB5 Mutant (V27A-I76T-Y97W-Y99F-L130P- L226V), PDB code: 5w3u:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 5w3u

Go back to Iron Binding Sites List in 5w3u
Iron 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 Iron with other atoms in the Fe 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:Fe401

b:65.2
occ:1.00
 NE2 A:HIS24 2.1 67.4 1.0
OQ1 A:KCX137 2.3 62.6 1.0
OD1 A:ASP256 2.4 77.4 1.0
NE2 A:HIS22 2.5 50.2 1.0
O A:HOH506 2.5 83.9 1.0
CO A:CO402 2.7 92.3 1.0
CE1 A:HIS24 3.0 46.7 1.0
CD2 A:HIS24 3.1 57.8 1.0
CX A:KCX137 3.2 48.9 1.0
OQ2 A:KCX137 3.4 58.2 1.0
CD2 A:HIS22 3.4 69.1 1.0
CE1 A:HIS22 3.5 46.7 1.0
CG A:ASP256 3.5 91.8 1.0
OD2 A:ASP256 4.0 98.6 1.0
ND1 A:HIS24 4.1 50.0 1.0
CG A:HIS24 4.2 50.8 1.0
NZ A:KCX137 4.4 74.8 1.0
CE1 A:HIS199 4.5 86.9 1.0
NE2 A:HIS199 4.5 93.9 1.0
ND1 A:HIS22 4.6 64.6 1.0
CG A:HIS22 4.6 63.4 1.0
CG A:PRO67 4.7 58.9 1.0
CB A:ASP256 4.8 97.6 1.0
CD1 A:LEU72 4.9 40.8 1.0
O A:HOH529 4.9 73.1 1.0

Iron binding site 2 out of 4 in 5w3u

Go back to Iron Binding Sites List in 5w3u
Iron 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 Iron with other atoms in the Fe 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:Fe401

b:46.8
occ:1.00
 NE2 B:HIS24 2.1 59.5 1.0
O B:HOH509 2.2 68.6 1.0
OQ2 B:KCX137 2.3 53.3 1.0
NE2 B:HIS22 2.3 45.4 1.0
OD1 B:ASP256 2.4 81.8 1.0
CE1 B:HIS24 3.0 57.0 1.0
CD2 B:HIS24 3.0 46.0 1.0
CO B:CO402 3.1 55.6 1.0
CX B:KCX137 3.1 59.0 1.0
CE1 B:HIS22 3.1 41.8 1.0
CG B:ASP256 3.2 79.8 1.0
OQ1 B:KCX137 3.3 67.5 1.0
CD2 B:HIS22 3.4 68.1 1.0
OD2 B:ASP256 3.5 78.5 1.0
O B:HOH527 4.0 73.0 1.0
ND1 B:HIS24 4.1 50.2 1.0
CG B:HIS24 4.2 72.2 1.0
NZ B:KCX137 4.3 60.9 1.0
ND1 B:HIS22 4.3 57.2 1.0
CE1 B:HIS199 4.4 69.9 1.0
NE2 B:HIS199 4.4 63.4 1.0
CG B:HIS22 4.5 58.0 1.0
CB B:ASP256 4.5 78.6 1.0
CG B:PRO67 4.7 47.6 1.0
CD1 B:LEU72 5.0 42.4 1.0

Iron binding site 3 out of 4 in 5w3u

Go back to Iron Binding Sites List in 5w3u
Iron 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 Iron with other atoms in the Fe 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:Fe401

b:78.4
occ:1.00
 NE2 C:HIS24 2.1 74.9 1.0
OQ1 C:KCX137 2.3 94.7 1.0
NE2 C:HIS22 2.3 86.9 1.0
OD1 C:ASP256 2.4 0.4 1.0
CE1 C:HIS24 3.0 66.2 1.0
CX C:KCX137 3.0 84.2 1.0
CO C:CO402 3.0 0.0 1.0
CD2 C:HIS24 3.2 70.6 1.0
CD2 C:HIS22 3.2 78.6 1.0
OQ2 C:KCX137 3.2 93.0 1.0
CE1 C:HIS22 3.3 62.5 1.0
CG C:ASP256 3.6 0.9 1.0
OD2 C:ASP256 4.1 0.4 1.0
NZ C:KCX137 4.1 80.9 1.0
ND1 C:HIS24 4.1 70.2 1.0
CG C:HIS24 4.3 65.6 1.0
NH2 C:ARG223 4.3 0.3 1.0
CG C:HIS22 4.4 76.2 1.0
ND1 C:HIS22 4.4 66.2 1.0
CG C:PRO67 4.7 63.4 1.0
CE1 C:HIS199 4.7 0.3 1.0
CB C:ASP256 4.7 0.3 1.0
CA C:ASP256 4.9 0.3 1.0

Iron binding site 4 out of 4 in 5w3u

Go back to Iron Binding Sites List in 5w3u
Iron 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 Iron with other atoms in the Fe 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:Fe401

b:0.5
occ:1.00
 NE2 D:HIS24 2.1 75.5 1.0
OQ1 D:KCX137 2.3 99.2 1.0
NE2 D:HIS22 2.4 1.0 1.0
OD1 D:ASP256 2.6 1.0 1.0
CD2 D:HIS24 3.0 75.0 1.0
CE1 D:HIS22 3.1 0.9 1.0
CE1 D:HIS24 3.1 71.2 1.0
CX D:KCX137 3.2 0.9 1.0
CO D:CO402 3.2 0.2 1.0
CG D:ASP256 3.4 0.3 1.0
OQ2 D:KCX137 3.4 0.0 1.0
CD2 D:HIS22 3.5 0.8 1.0
OD2 D:ASP256 3.7 0.7 1.0
NE2 D:HIS199 3.9 0.9 1.0
CE1 D:HIS199 4.2 0.4 1.0
CG D:HIS24 4.2 68.7 1.0
ND1 D:HIS24 4.2 56.4 1.0
ND1 D:HIS22 4.3 0.9 1.0
NZ D:KCX137 4.4 0.1 1.0
CG D:HIS22 4.6 0.8 1.0
CB D:ASP256 4.7 0.4 1.0
CG D:PRO67 4.9 65.6 1.0
CD1 D:LEU72 4.9 68.3 1.0
ND1 D:HIS170 5.0 0.4 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 Aug 6 11:04:33 2024

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