Atomistry » Iron » PDB 4k5e-4kf2 » 4kes
Atomistry »
  Iron »
    PDB 4k5e-4kf2 »
      4kes »

Iron in PDB 4kes: Crystal Structure of Ssopox W263T

Enzymatic activity of Crystal Structure of Ssopox W263T

All present enzymatic activity of Crystal Structure of Ssopox W263T:
3.1.8.1;

Protein crystallography data

The structure of Crystal Structure of Ssopox W263T, PDB code: 4kes 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) 49.52 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 84.200, 103.600, 151.800, 90.00, 90.00, 90.00
R / Rfree (%) 16.3 / 20.5

Other elements in 4kes:

The structure of Crystal Structure of Ssopox W263T 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 W263T (pdb code 4kes). 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 W263T, PDB code: 4kes:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 4kes

Go back to Iron Binding Sites List in 4kes
Iron binding site 1 out of 4 in the Crystal Structure of Ssopox W263T


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 W263T within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:19.6
occ:1.00
OD1 A:ASP256 1.9 20.4 1.0
O A:HOH591 1.9 23.3 1.0
NE2 A:HIS22 1.9 19.6 1.0
NE2 A:HIS24 2.0 20.9 1.0
OQ1 A:KCX137 2.0 18.9 1.0
CE1 A:HIS24 2.9 19.7 1.0
CG A:ASP256 2.9 22.3 1.0
CX A:KCX137 2.9 19.0 1.0
CD2 A:HIS22 2.9 19.0 1.0
CE1 A:HIS22 3.0 19.5 1.0
CD2 A:HIS24 3.0 16.1 1.0
OQ2 A:KCX137 3.2 19.9 1.0
O1 A:EDO407 3.3 58.0 1.0
OD2 A:ASP256 3.3 21.5 1.0
CO A:CO402 3.4 23.0 1.0
NZ A:KCX137 4.0 21.0 1.0
ND1 A:HIS24 4.1 20.1 1.0
ND1 A:HIS22 4.1 19.6 1.0
CG A:HIS22 4.1 21.0 1.0
CG A:HIS24 4.1 19.1 1.0
CB A:ASP256 4.3 20.5 1.0
CE1 A:HIS199 4.3 20.2 1.0
CG A:PRO67 4.5 22.4 1.0
NE2 A:HIS199 4.5 25.0 1.0
C1 A:EDO407 4.6 58.4 1.0
CA A:ASP256 4.7 21.6 1.0

Iron binding site 2 out of 4 in 4kes

Go back to Iron Binding Sites List in 4kes
Iron binding site 2 out of 4 in the Crystal Structure of Ssopox W263T


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 W263T within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe402

b:19.0
occ:1.00
OD1 B:ASP256 1.9 23.4 1.0
O B:HOH600 1.9 23.3 1.0
NE2 B:HIS24 1.9 22.6 1.0
NE2 B:HIS22 2.0 20.6 1.0
OQ2 B:KCX137 2.0 21.3 1.0
CG B:ASP256 2.9 21.5 1.0
CE1 B:HIS24 2.9 20.0 1.0
CD2 B:HIS22 2.9 17.9 1.0
CX B:KCX137 3.0 18.1 1.0
CE1 B:HIS22 3.0 19.8 1.0
CD2 B:HIS24 3.0 18.4 1.0
OQ1 B:KCX137 3.2 21.6 1.0
OD2 B:ASP256 3.3 22.5 1.0
CO B:CO403 3.4 22.6 1.0
O B:HOH608 3.8 46.3 1.0
NZ B:KCX137 4.0 21.0 1.0
ND1 B:HIS24 4.1 19.4 1.0
ND1 B:HIS22 4.1 20.2 1.0
CG B:HIS22 4.1 19.6 1.0
CG B:HIS24 4.1 21.2 1.0
CB B:ASP256 4.3 20.9 1.0
CG B:PRO67 4.3 21.2 1.0
CE1 B:HIS199 4.4 21.2 1.0
NE2 B:HIS199 4.5 23.2 1.0
CA B:ASP256 4.7 22.8 1.0

Iron binding site 3 out of 4 in 4kes

Go back to Iron Binding Sites List in 4kes
Iron binding site 3 out of 4 in the Crystal Structure of Ssopox W263T


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 W263T within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe401

b:24.4
occ:1.00
OD1 C:ASP256 1.9 29.3 1.0
O C:HOH572 1.9 25.7 1.0
NE2 C:HIS24 1.9 23.9 1.0
NE2 C:HIS22 2.0 25.0 1.0
OQ1 C:KCX137 2.0 25.0 1.0
CE1 C:HIS24 2.9 20.5 1.0
CG C:ASP256 2.9 31.8 1.0
CE1 C:HIS22 2.9 27.4 1.0
CX C:KCX137 3.0 27.4 1.0
CD2 C:HIS22 3.0 23.7 1.0
CD2 C:HIS24 3.0 20.8 1.0
OQ2 C:KCX137 3.3 27.9 1.0
OD2 C:ASP256 3.3 31.7 1.0
CO C:CO402 3.4 30.0 1.0
NZ C:KCX137 4.0 28.0 1.0
ND1 C:HIS24 4.0 20.6 1.0
ND1 C:HIS22 4.1 23.8 1.0
CG C:HIS24 4.1 21.0 1.0
CG C:HIS22 4.1 26.4 1.0
CB C:ASP256 4.2 28.1 1.0
CE1 C:HIS199 4.3 25.7 1.0
NE2 C:HIS199 4.5 31.4 1.0
CG C:PRO67 4.5 27.8 1.0
CA C:ASP256 4.7 26.5 1.0
O C:HOH619 4.9 47.4 1.0

Iron binding site 4 out of 4 in 4kes

Go back to Iron Binding Sites List in 4kes
Iron binding site 4 out of 4 in the Crystal Structure of Ssopox W263T


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 W263T within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe401

b:23.3
occ:1.00
O D:HOH561 1.8 22.9 1.0
OD1 D:ASP256 1.9 26.7 1.0
NE2 D:HIS24 1.9 24.4 1.0
NE2 D:HIS22 2.0 23.9 1.0
OQ1 D:KCX137 2.0 28.2 1.0
CG D:ASP256 2.9 24.7 1.0
CD2 D:HIS24 2.9 27.0 1.0
CD2 D:HIS22 2.9 24.9 1.0
CX D:KCX137 2.9 28.8 1.0
CE1 D:HIS24 3.0 23.5 1.0
CE1 D:HIS22 3.0 22.6 1.0
OQ2 D:KCX137 3.2 25.3 1.0
OD2 D:ASP256 3.3 27.0 1.0
CO D:CO402 3.5 25.9 1.0
C2 D:EDO403 3.8 44.7 1.0
O2 D:EDO403 3.8 47.1 1.0
NZ D:KCX137 4.0 28.7 1.0
ND1 D:HIS24 4.1 27.8 1.0
CG D:HIS24 4.1 27.2 1.0
ND1 D:HIS22 4.1 23.2 1.0
CG D:HIS22 4.1 27.6 1.0
CB D:ASP256 4.2 25.6 1.0
CE1 D:HIS199 4.3 21.2 1.0
CG D:PRO67 4.4 27.1 1.0
NE2 D:HIS199 4.5 23.1 1.0
CA D:ASP256 4.7 27.9 1.0
O1 D:EDO403 4.9 62.3 1.0
C1 D:EDO403 4.9 55.2 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 05:22:33 2024

Last articles

F in 7MYY
F in 7N13
F in 7MYU
F in 7MYR
F in 7MYO
F in 7MXN
F in 7MXG
F in 7MXH
F in 7MX7
F in 7MVS
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy