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Iron in PDB 4keu: Crystal Structure of Ssopox W263M

Enzymatic activity of Crystal Structure of Ssopox W263M

All present enzymatic activity of Crystal Structure of Ssopox W263M:
3.1.8.1;

Protein crystallography data

The structure of Crystal Structure of Ssopox W263M, PDB code: 4keu 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) 49.14 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 86.820, 103.880, 151.610, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 21.5

Other elements in 4keu:

The structure of Crystal Structure of Ssopox W263M 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 W263M (pdb code 4keu). 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 W263M, PDB code: 4keu:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 4keu

Go back to Iron Binding Sites List in 4keu
Iron binding site 1 out of 4 in the Crystal Structure of Ssopox W263M


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 W263M within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:18.9
occ:1.00
NE2 A:HIS24 1.9 17.4 1.0
OQ1 A:KCX137 2.0 21.3 1.0
NE2 A:HIS22 2.0 21.4 1.0
OD1 A:ASP256 2.0 23.0 1.0
O A:HOH580 2.0 22.2 1.0
CE1 A:HIS24 2.8 16.0 1.0
CX A:KCX137 2.9 20.6 1.0
CE1 A:HIS22 3.0 20.2 1.0
CD2 A:HIS22 3.0 17.9 1.0
CD2 A:HIS24 3.0 16.5 1.0
CG A:ASP256 3.0 22.3 1.0
OQ2 A:KCX137 3.1 18.4 1.0
OD2 A:ASP256 3.4 23.6 1.0
CO A:CO402 3.4 21.7 1.0
ND1 A:HIS24 4.0 16.7 1.0
NZ A:KCX137 4.0 19.9 1.0
ND1 A:HIS22 4.1 17.8 1.0
CG A:HIS24 4.1 18.9 1.0
CG A:HIS22 4.2 17.7 1.0
CE1 A:HIS199 4.3 22.9 1.0
NE2 A:HIS199 4.4 23.5 1.0
CG A:PRO67 4.4 22.2 1.0
CB A:ASP256 4.4 23.9 1.0
CA A:ASP256 4.8 24.2 1.0

Iron binding site 2 out of 4 in 4keu

Go back to Iron Binding Sites List in 4keu
Iron binding site 2 out of 4 in the Crystal Structure of Ssopox W263M


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 W263M within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe402

b:21.6
occ:1.00
O B:HOH582 1.7 25.7 1.0
OQ2 B:KCX137 1.9 22.1 1.0
NE2 B:HIS24 2.0 22.3 1.0
OD1 B:ASP256 2.0 23.8 1.0
NE2 B:HIS22 2.0 23.4 1.0
CX B:KCX137 2.9 21.2 1.0
CD2 B:HIS24 2.9 19.7 1.0
CE1 B:HIS24 3.0 21.0 1.0
CD2 B:HIS22 3.0 21.4 1.0
CE1 B:HIS22 3.0 21.4 1.0
CG B:ASP256 3.1 26.5 1.0
OQ1 B:KCX137 3.2 20.7 1.0
CO B:CO403 3.4 25.0 1.0
OD2 B:ASP256 3.5 27.9 1.0
NZ B:KCX137 4.0 21.8 1.0
ND1 B:HIS24 4.1 20.4 1.0
CG B:HIS24 4.1 21.3 1.0
ND1 B:HIS22 4.2 20.8 1.0
CG B:HIS22 4.2 21.1 1.0
CG B:PRO67 4.3 25.6 1.0
CE1 B:HIS199 4.4 23.4 1.0
CB B:ASP256 4.5 26.3 1.0
NE2 B:HIS199 4.5 24.2 1.0
CA B:ASP256 4.9 29.6 1.0

Iron binding site 3 out of 4 in 4keu

Go back to Iron Binding Sites List in 4keu
Iron binding site 3 out of 4 in the Crystal Structure of Ssopox W263M


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 W263M within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe401

b:22.7
occ:1.00
OD1 C:ASP256 1.9 29.1 1.0
OQ2 C:KCX137 2.0 24.4 1.0
O C:HOH573 2.0 28.5 1.0
NE2 C:HIS24 2.0 20.6 1.0
NE2 C:HIS22 2.0 22.4 1.0
CX C:KCX137 2.9 25.5 1.0
CG C:ASP256 2.9 31.4 1.0
CD2 C:HIS22 3.0 21.0 1.0
CE1 C:HIS24 3.0 17.8 1.0
CD2 C:HIS24 3.0 18.8 1.0
CE1 C:HIS22 3.1 20.0 1.0
OQ1 C:KCX137 3.1 28.7 1.0
OD2 C:ASP256 3.2 34.2 1.0
CO C:CO402 3.5 30.7 1.0
NZ C:KCX137 4.0 27.2 1.0
ND1 C:HIS24 4.2 19.6 1.0
ND1 C:HIS22 4.2 19.9 1.0
CG C:HIS24 4.2 18.7 1.0
CG C:HIS22 4.2 21.5 1.0
CB C:ASP256 4.3 30.1 1.0
CE1 C:HIS199 4.3 30.0 1.0
NE2 C:HIS199 4.5 33.1 1.0
CG C:PRO67 4.5 20.0 1.0
CA C:ASP256 4.8 29.5 1.0
O C:ASP256 5.0 36.9 1.0

Iron binding site 4 out of 4 in 4keu

Go back to Iron Binding Sites List in 4keu
Iron binding site 4 out of 4 in the Crystal Structure of Ssopox W263M


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 W263M within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe401

b:23.6
occ:1.00
O D:HOH581 1.9 19.8 1.0
NE2 D:HIS24 1.9 20.6 1.0
OQ1 D:KCX137 2.0 25.1 1.0
OD1 D:ASP256 2.0 23.7 1.0
NE2 D:HIS22 2.0 24.8 1.0
CE1 D:HIS24 2.9 19.9 1.0
CX D:KCX137 2.9 24.7 1.0
CD2 D:HIS22 2.9 22.5 1.0
CD2 D:HIS24 3.0 21.4 1.0
CG D:ASP256 3.0 25.6 1.0
CE1 D:HIS22 3.0 22.7 1.0
OQ2 D:KCX137 3.1 22.2 1.0
OD2 D:ASP256 3.4 28.3 1.0
CO D:CO402 3.5 24.6 1.0
NZ D:KCX137 4.0 23.9 1.0
ND1 D:HIS24 4.0 19.8 1.0
CG D:HIS24 4.1 21.7 1.0
CG D:HIS22 4.2 24.1 1.0
ND1 D:HIS22 4.2 22.0 1.0
CB D:ASP256 4.4 24.1 1.0
CE1 D:HIS199 4.4 21.9 1.0
NE2 D:HIS199 4.6 23.2 1.0
CA D:ASP256 4.8 24.4 1.0
CG D:PRO67 4.8 26.5 1.0
O D:ASP256 5.0 30.6 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: Sun Dec 13 15:39:35 2020

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