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Iron in PDB 4kez: Crystal Structure of Ssopox W263F

Enzymatic activity of Crystal Structure of Ssopox W263F

All present enzymatic activity of Crystal Structure of Ssopox W263F:
3.1.8.1;

Protein crystallography data

The structure of Crystal Structure of Ssopox W263F, PDB code: 4kez was solved by G.Gotthard, J.Hiblot, E.Chabriere, M.Elias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.03 / 1.85
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 87.130, 103.620, 151.660, 90.00, 90.00, 90.00
R / Rfree (%) 15.1 / 18.6

Other elements in 4kez:

The structure of Crystal Structure of Ssopox W263F 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 W263F (pdb code 4kez). 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 W263F, PDB code: 4kez:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 4kez

Go back to Iron Binding Sites List in 4kez
Iron binding site 1 out of 4 in the Crystal Structure of Ssopox W263F


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 W263F within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:15.2
occ:1.00
O A:HOH773 1.9 17.8 1.0
NE2 A:HIS24 2.0 14.1 1.0
OQ1 A:KCX137 2.0 16.1 1.0
NE2 A:HIS22 2.1 18.0 1.0
OD1 A:ASP256 2.2 15.1 1.0
CX A:KCX137 3.0 15.5 1.0
CE1 A:HIS24 3.0 15.4 1.0
CD2 A:HIS22 3.0 14.9 1.0
CD2 A:HIS24 3.0 15.0 1.0
OQ2 A:KCX137 3.1 12.5 1.0
CE1 A:HIS22 3.1 16.6 1.0
CG A:ASP256 3.2 18.9 1.0
CO A:CO402 3.3 15.7 1.0
OD2 A:ASP256 3.5 17.6 1.0
O A:HOH528 4.0 31.4 1.0
NZ A:KCX137 4.1 14.0 1.0
ND1 A:HIS24 4.1 16.1 1.0
CG A:HIS24 4.2 15.8 1.0
CG A:HIS22 4.2 14.8 1.0
ND1 A:HIS22 4.2 13.8 1.0
CG A:PRO67 4.3 20.2 1.0
CE1 A:HIS199 4.4 14.4 1.0
NE2 A:HIS199 4.5 15.6 1.0
CB A:ASP256 4.5 17.3 1.0
CA A:ASP256 4.9 17.7 1.0

Iron binding site 2 out of 4 in 4kez

Go back to Iron Binding Sites List in 4kez
Iron binding site 2 out of 4 in the Crystal Structure of Ssopox W263F


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 W263F within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe401

b:15.3
occ:1.00
O B:HOH755 2.0 18.8 1.0
OQ1 B:KCX137 2.0 18.6 1.0
NE2 B:HIS24 2.1 16.5 1.0
NE2 B:HIS22 2.1 18.6 1.0
OD1 B:ASP256 2.2 15.8 1.0
CX B:KCX137 3.0 18.1 1.0
CD2 B:HIS22 3.0 17.0 1.0
CD2 B:HIS24 3.1 15.2 1.0
CG B:ASP256 3.1 16.6 1.0
CE1 B:HIS24 3.1 17.2 1.0
CE1 B:HIS22 3.2 16.9 1.0
OQ2 B:KCX137 3.2 15.8 1.0
CO B:CO402 3.3 16.7 1.0
OD2 B:ASP256 3.4 17.0 1.0
O B:HOH548 4.0 36.6 1.0
NZ B:KCX137 4.1 18.3 1.0
CG B:HIS22 4.2 16.2 1.0
ND1 B:HIS24 4.2 17.9 1.0
CG B:HIS24 4.2 18.5 1.0
ND1 B:HIS22 4.3 15.0 1.0
CE1 B:HIS199 4.4 16.8 1.0
CB B:ASP256 4.4 17.4 1.0
CG B:PRO67 4.4 16.9 1.0
NE2 B:HIS199 4.5 17.4 1.0
O B:HOH716 4.7 52.7 1.0
CA B:ASP256 4.8 16.9 1.0

Iron binding site 3 out of 4 in 4kez

Go back to Iron Binding Sites List in 4kez
Iron binding site 3 out of 4 in the Crystal Structure of Ssopox W263F


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 W263F within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe401

b:14.8
occ:1.00
O C:HOH753 1.9 16.3 1.0
NE2 C:HIS24 2.0 11.7 1.0
OQ2 C:KCX137 2.0 16.2 1.0
NE2 C:HIS22 2.1 17.4 1.0
OD1 C:ASP256 2.2 16.6 1.0
CE1 C:HIS24 3.0 12.7 1.0
CX C:KCX137 3.0 15.9 1.0
CD2 C:HIS22 3.0 16.8 1.0
CD2 C:HIS24 3.0 16.7 1.0
CE1 C:HIS22 3.1 18.9 1.0
CG C:ASP256 3.1 18.7 1.0
OQ1 C:KCX137 3.2 16.2 1.0
CO C:CO402 3.4 17.1 1.0
OD2 C:ASP256 3.5 17.6 1.0
O1 C:EDO405 3.9 39.2 1.0
ND1 C:HIS24 4.1 15.2 1.0
NZ C:KCX137 4.1 15.7 1.0
CG C:HIS24 4.2 12.9 1.0
ND1 C:HIS22 4.2 17.5 1.0
CG C:HIS22 4.2 17.9 1.0
C2 C:EDO405 4.3 48.0 1.0
CG C:PRO67 4.4 20.3 1.0
CE1 C:HIS199 4.4 14.5 1.0
CB C:ASP256 4.5 15.4 1.0
NE2 C:HIS199 4.5 16.4 1.0
C1 C:EDO405 4.6 31.0 1.0
CA C:ASP256 4.8 14.1 1.0

Iron binding site 4 out of 4 in 4kez

Go back to Iron Binding Sites List in 4kez
Iron binding site 4 out of 4 in the Crystal Structure of Ssopox W263F


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 W263F within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe401

b:17.2
occ:1.00
O D:HOH759 2.0 18.6 1.0
OQ2 D:KCX137 2.0 16.9 1.0
NE2 D:HIS24 2.1 15.8 1.0
NE2 D:HIS22 2.2 16.0 1.0
OD1 D:ASP256 2.2 18.4 1.0
CX D:KCX137 3.0 15.5 1.0
CD2 D:HIS24 3.0 17.5 1.0
CD2 D:HIS22 3.0 15.3 1.0
CE1 D:HIS24 3.1 14.8 1.0
CG D:ASP256 3.2 21.4 1.0
OQ1 D:KCX137 3.2 17.6 1.0
CE1 D:HIS22 3.2 16.4 1.0
CO D:CO402 3.3 18.4 1.0
OD2 D:ASP256 3.5 19.4 1.0
O D:HOH541 4.0 33.5 1.0
NZ D:KCX137 4.1 15.9 1.0
ND1 D:HIS24 4.2 15.1 1.0
CG D:HIS24 4.2 15.3 1.0
CG D:HIS22 4.3 16.7 1.0
ND1 D:HIS22 4.3 15.2 1.0
CG D:PRO67 4.4 19.3 1.0
CE1 D:HIS199 4.4 23.1 1.0
CB D:ASP256 4.5 18.5 1.0
NE2 D:HIS199 4.5 22.7 1.0
O D:HOH750 4.8 55.8 1.0
CA D:ASP256 4.9 16.8 1.0

Reference:

J.Hiblot, G.Gotthard, M.Elias, E.Chabriere. Differential Active Site Loop Conformations Mediate Promiscuous Activities in the Lactonase Ssopox. Plos One V. 8 75272 2013.
ISSN: ESSN 1932-6203
PubMed: 24086491
DOI: 10.1371/JOURNAL.PONE.0075272
Page generated: Mon Aug 5 05:24:07 2024

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