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Iron in PDB 2r1l: Opda From Agrobacterium Radiobacter with Bound Diethyl Thiophosphate From Crystal Soaking with the Compound- 1.95 A

Enzymatic activity of Opda From Agrobacterium Radiobacter with Bound Diethyl Thiophosphate From Crystal Soaking with the Compound- 1.95 A

All present enzymatic activity of Opda From Agrobacterium Radiobacter with Bound Diethyl Thiophosphate From Crystal Soaking with the Compound- 1.95 A:
3.1.8.1;

Protein crystallography data

The structure of Opda From Agrobacterium Radiobacter with Bound Diethyl Thiophosphate From Crystal Soaking with the Compound- 1.95 A, PDB code: 2r1l was solved by D.L.Ollis, C.J.Jackson, J.L.Foo, H.K.Kim, P.D.Carr, J.W.Liu, G.Salem, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.95
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 108.923, 108.923, 62.647, 90.00, 90.00, 120.00
R / Rfree (%) 15.4 / 19.7

Other elements in 2r1l:

The structure of Opda From Agrobacterium Radiobacter with Bound Diethyl Thiophosphate From Crystal Soaking with the Compound- 1.95 A also contains other interesting chemical elements:

Cobalt (Co) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Opda From Agrobacterium Radiobacter with Bound Diethyl Thiophosphate From Crystal Soaking with the Compound- 1.95 A (pdb code 2r1l). 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 Opda From Agrobacterium Radiobacter with Bound Diethyl Thiophosphate From Crystal Soaking with the Compound- 1.95 A, PDB code: 2r1l:

Iron binding site 1 out of 1 in 2r1l

Go back to Iron Binding Sites List in 2r1l
Iron binding site 1 out of 1 in the Opda From Agrobacterium Radiobacter with Bound Diethyl Thiophosphate From Crystal Soaking with the Compound- 1.95 A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Opda From Agrobacterium Radiobacter with Bound Diethyl Thiophosphate From Crystal Soaking with the Compound- 1.95 A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe800

b:12.5
occ:0.90
 O4 A:DPJ1 1.9 17.0 0.6
OQ1 A:KCX169 2.0 14.1 1.0
NE2 A:HIS57 2.1 10.7 1.0
NE2 A:HIS55 2.2 12.2 1.0
OD1 A:ASP301 2.2 13.4 1.0
CE1 A:HIS57 3.0 13.9 1.0
CX A:KCX169 3.1 17.7 1.0
CD2 A:HIS55 3.1 10.3 1.0
CD2 A:HIS57 3.1 12.6 1.0
CG A:ASP301 3.2 15.5 1.0
CE1 A:HIS55 3.2 11.1 1.0
P2 A:DPJ1 3.2 18.4 0.6
O5 A:DPJ1 3.4 14.8 0.6
OD2 A:ASP301 3.5 16.1 1.0
OQ2 A:KCX169 3.5 17.3 1.0
CO A:CO801 3.7 16.0 0.9
CG2 A:VAL101 4.1 9.9 1.0
NZ A:KCX169 4.1 16.2 1.0
ND1 A:HIS57 4.2 13.4 1.0
CG A:HIS57 4.3 12.4 1.0
CE1 A:HIS230 4.3 11.9 1.0
CG A:HIS55 4.3 12.6 1.0
S1 A:DPJ1 4.3 19.5 0.6
ND1 A:HIS55 4.3 13.1 1.0
O3 A:DPJ1 4.3 15.2 0.6
CB A:ASP301 4.4 12.2 1.0
NE2 A:HIS230 4.5 13.5 1.0
C7 A:DPJ1 4.6 16.7 0.6
C6 A:DPJ1 4.7 21.9 0.6
C8 A:DPJ1 4.9 7.9 0.6
CA A:ASP301 4.9 12.6 1.0

Reference:

C.J.Jackson, J.L.Foo, H.K.Kim, P.D.Carr, J.W.Liu, G.Salem, D.L.Ollis. In Crystallo Capture of A Michaelis Complex and Product-Binding Modes of A Bacterial Phosphotriesterase J.Mol.Biol. V. 375 1189 2008.
ISSN: ISSN 0022-2836
PubMed: 18082180
DOI: 10.1016/J.JMB.2007.10.061
Page generated: Sun Aug 4 01:53:09 2024

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