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Iron in PDB 4np7: Structure of Phosphotriesterase Mutant (S308L/Y309A) From Agrobacterium Radiobacter with Diethyl Thiophosphate Bound in the Active Site

Enzymatic activity of Structure of Phosphotriesterase Mutant (S308L/Y309A) From Agrobacterium Radiobacter with Diethyl Thiophosphate Bound in the Active Site

All present enzymatic activity of Structure of Phosphotriesterase Mutant (S308L/Y309A) From Agrobacterium Radiobacter with Diethyl Thiophosphate Bound in the Active Site:
3.1.8.1;

Protein crystallography data

The structure of Structure of Phosphotriesterase Mutant (S308L/Y309A) From Agrobacterium Radiobacter with Diethyl Thiophosphate Bound in the Active Site, PDB code: 4np7 was solved by C.J.Jackson, P.D.Carr, E.Sugrue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.22 / 1.99
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 109.134, 109.134, 63.428, 90.00, 90.00, 120.00
R / Rfree (%) 20.6 / 25.1

Other elements in 4np7:

The structure of Structure of Phosphotriesterase Mutant (S308L/Y309A) From Agrobacterium Radiobacter with Diethyl Thiophosphate Bound in the Active Site also contains other interesting chemical elements:

Cobalt (Co) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Phosphotriesterase Mutant (S308L/Y309A) From Agrobacterium Radiobacter with Diethyl Thiophosphate Bound in the Active Site (pdb code 4np7). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Structure of Phosphotriesterase Mutant (S308L/Y309A) From Agrobacterium Radiobacter with Diethyl Thiophosphate Bound in the Active Site, PDB code: 4np7:

Iron binding site 1 out of 1 in 4np7

Go back to Iron Binding Sites List in 4np7
Iron binding site 1 out of 1 in the Structure of Phosphotriesterase Mutant (S308L/Y309A) From Agrobacterium Radiobacter with Diethyl Thiophosphate Bound in the Active Site


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Phosphotriesterase Mutant (S308L/Y309A) From Agrobacterium Radiobacter with Diethyl Thiophosphate Bound in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:17.1
occ:0.90
 O4 A:DPJ403 1.9 20.8 0.6
OQ1 A:KCX169 2.2 24.6 1.0
NE2 A:HIS57 2.2 15.8 1.0
CE1 A:HIS55 2.3 15.2 1.0
OD1 A:ASP301 2.3 14.5 1.0
P2 A:DPJ403 3.0 30.0 0.6
CG A:ASP301 3.1 15.5 1.0
CD2 A:HIS57 3.1 16.1 1.0
CX A:KCX169 3.2 31.9 1.0
O5 A:DPJ403 3.2 27.7 0.6
ND1 A:HIS55 3.2 16.8 1.0
OD2 A:ASP301 3.2 19.9 1.0
CE1 A:HIS57 3.2 16.1 1.0
NE2 A:HIS55 3.3 16.5 1.0
CO A:CO402 3.7 22.0 0.9
OQ2 A:KCX169 3.8 35.7 1.0
O A:HOH659 3.8 30.0 1.0
NZ A:KCX169 4.1 30.2 1.0
NE2 A:HIS230 4.2 23.1 1.0
O3 A:DPJ403 4.2 29.4 0.6
CG2 A:VAL101 4.3 14.3 1.0
CG A:HIS57 4.3 15.7 1.0
ND1 A:HIS57 4.3 15.6 1.0
S1 A:DPJ403 4.3 27.3 0.6
CG A:HIS55 4.4 16.1 1.0
CD2 A:HIS55 4.4 15.0 1.0
C6 A:DPJ403 4.4 24.0 0.6
C8 A:DPJ403 4.4 24.3 0.6
CB A:ASP301 4.5 15.0 1.0
CE A:KCX169 4.5 28.2 1.0
CE1 A:HIS230 4.6 19.0 1.0
C7 A:DPJ403 4.7 30.1 0.6
CA A:ASP301 4.9 13.9 1.0

Reference:

T.Naqvi, A.C.Warden, N.French, E.Sugrue, P.D.Carr, C.J.Jackson, C.Scott. A 5000-Fold Increase in the Specificity of A Bacterial Phosphotriesterase For Malathion Through Combinatorial Active Site Mutagenesis Plos One V. 9 94177 2014.
ISSN: ESSN 1932-6203
PubMed: 24721933
DOI: 10.1371/JOURNAL.PONE.0094177
Page generated: Tue Aug 5 13:24:30 2025

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