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Iron in PDB 5w3w: Crystal Structure of Ssopox ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open Form

Enzymatic activity of Crystal Structure of Ssopox ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open Form

All present enzymatic activity of Crystal Structure of Ssopox ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open Form:
3.1.8.1;

Protein crystallography data

The structure of Crystal Structure of Ssopox ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open Form, PDB code: 5w3w 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) 49.67 / 2.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 82.340, 105.010, 153.150, 90.00, 90.00, 90.00
R / Rfree (%) 22.9 / 28.8

Other elements in 5w3w:

The structure of Crystal Structure of Ssopox ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open 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 ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open Form (pdb code 5w3w). 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 ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open Form, PDB code: 5w3w:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 5w3w

Go back to Iron Binding Sites List in 5w3w
Iron binding site 1 out of 4 in the Crystal Structure of Ssopox ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open 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 ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:13.8
occ:1.00
 OQ2 A:KCX137 2.0 46.5 1.0
NE2 A:HIS24 2.0 43.0 1.0
OD1 A:ASP256 2.1 55.4 1.0
NE2 A:HIS22 2.1 57.2 1.0
O A:HOH508 2.3 18.3 1.0
CX A:KCX137 2.9 49.5 1.0
CG A:ASP256 2.9 53.3 1.0
CE1 A:HIS24 3.0 42.8 1.0
CD2 A:HIS22 3.1 56.9 1.0
CD2 A:HIS24 3.1 46.4 1.0
CE1 A:HIS22 3.1 55.4 1.0
OD2 A:ASP256 3.2 51.8 1.0
OQ1 A:KCX137 3.2 47.0 1.0
CO A:CO402 3.2 13.8 1.0
CE1 A:HIS199 4.0 50.8 1.0
NZ A:KCX137 4.1 53.3 1.0
ND1 A:HIS24 4.1 46.4 1.0
CG A:HIS24 4.2 50.4 1.0
NE2 A:HIS199 4.2 56.5 1.0
ND1 A:HIS22 4.2 55.6 1.0
CG A:HIS22 4.2 56.3 1.0
CB A:ASP256 4.3 55.2 1.0
CG A:PRO67 4.6 58.6 1.0
CA A:ASP256 4.8 57.6 1.0
O A:ASP256 5.0 61.1 1.0

Iron binding site 2 out of 4 in 5w3w

Go back to Iron Binding Sites List in 5w3w
Iron binding site 2 out of 4 in the Crystal Structure of Ssopox ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open 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 ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe401

b:44.6
occ:1.00
 NE2 B:HIS24 2.1 71.9 1.0
OD1 B:ASP256 2.1 92.8 1.0
OQ1 B:KCX137 2.1 59.2 1.0
NE2 B:HIS22 2.1 79.9 1.0
O B:HOH503 2.5 37.3 1.0
CX B:KCX137 2.9 62.6 1.0
CG B:ASP256 3.0 98.3 1.0
CD2 B:HIS24 3.0 76.6 1.0
CD2 B:HIS22 3.0 76.8 1.0
CE1 B:HIS24 3.1 69.2 1.0
OQ2 B:KCX137 3.2 70.5 1.0
CE1 B:HIS22 3.2 73.8 1.0
CO B:CO402 3.3 49.3 1.0
OD2 B:ASP256 3.4 95.4 1.0
NZ B:KCX137 4.1 59.5 1.0
CE1 B:HIS199 4.1 85.9 1.0
ND1 B:HIS24 4.2 67.2 1.0
CG B:HIS24 4.2 73.1 1.0
NE2 B:HIS199 4.2 87.9 1.0
CG B:HIS22 4.2 70.7 1.0
ND1 B:HIS22 4.2 69.7 1.0
CB B:ASP256 4.3 95.6 1.0
CG B:PRO67 4.5 69.2 1.0
CA B:ASP256 4.7 90.7 1.0
O B:ASP256 4.9 92.2 1.0

Iron binding site 3 out of 4 in 5w3w

Go back to Iron Binding Sites List in 5w3w
Iron binding site 3 out of 4 in the Crystal Structure of Ssopox ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open 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 ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open Form within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe401

b:50.8
occ:1.00
 OQ2 C:KCX137 2.0 95.6 1.0
NE2 C:HIS24 2.0 85.1 1.0
NE2 C:HIS22 2.1 0.6 1.0
OD1 C:ASP256 2.1 0.3 1.0
O C:HOH502 2.3 53.7 1.0
CD2 C:HIS22 3.0 0.2 1.0
CD2 C:HIS24 3.0 86.9 1.0
CE1 C:HIS24 3.0 79.7 1.0
CX C:KCX137 3.0 0.6 1.0
CE1 C:HIS22 3.1 0.9 1.0
CG C:ASP256 3.2 0.1 1.0
CO C:CO402 3.4 66.5 1.0
OQ1 C:KCX137 3.4 0.9 1.0
OD2 C:ASP256 3.7 0.2 1.0
NZ C:KCX137 4.0 0.6 1.0
ND1 C:HIS24 4.1 77.2 1.0
CG C:HIS24 4.1 84.2 1.0
CG C:HIS22 4.1 0.5 1.0
ND1 C:HIS22 4.2 0.7 1.0
CE1 C:HIS199 4.2 0.4 1.0
NE2 C:HIS199 4.4 0.3 1.0
CG C:PRO67 4.4 97.0 1.0
CB C:ASP256 4.4 0.7 1.0
CA C:ASP256 4.7 0.6 1.0
O C:ASP256 4.8 0.0 1.0

Iron binding site 4 out of 4 in 5w3w

Go back to Iron Binding Sites List in 5w3w
Iron binding site 4 out of 4 in the Crystal Structure of Ssopox ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open 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 ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe401

b:19.7
occ:1.00
 OQ1 D:KCX137 2.0 45.0 1.0
NE2 D:HIS24 2.0 52.3 1.0
OD1 D:ASP256 2.1 67.8 1.0
NE2 D:HIS22 2.1 53.1 1.0
O D:HOH503 2.4 23.5 1.0
CX D:KCX137 2.9 47.6 1.0
CD2 D:HIS24 3.0 54.7 1.0
CG D:ASP256 3.0 71.1 1.0
CD2 D:HIS22 3.0 54.4 1.0
CE1 D:HIS24 3.0 47.9 1.0
CE1 D:HIS22 3.1 52.9 1.0
OQ2 D:KCX137 3.2 52.1 1.0
O2 D:GOL407 3.3 65.7 1.0
OD2 D:ASP256 3.4 69.2 1.0
CO D:CO402 3.4 28.3 1.0
NZ D:KCX137 4.0 46.2 1.0
ND1 D:HIS24 4.1 48.3 1.0
CG D:HIS24 4.1 51.5 1.0
CE1 D:HIS199 4.2 68.3 1.0
CG D:HIS22 4.2 55.0 1.0
ND1 D:HIS22 4.2 55.4 1.0
CB D:ASP256 4.3 73.6 1.0
NE2 D:HIS199 4.3 66.5 1.0
CG D:PRO67 4.4 53.8 1.0
C2 D:GOL407 4.5 62.5 1.0
CA D:ASP256 4.7 76.2 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 11:05:45 2024

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