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Iron in PDB 1w2a: Deacetoxycephalosporin C Synthase (with His-Tag) Complexed with Fe(II) and Ethylene Glycol

Enzymatic activity of Deacetoxycephalosporin C Synthase (with His-Tag) Complexed with Fe(II) and Ethylene Glycol

All present enzymatic activity of Deacetoxycephalosporin C Synthase (with His-Tag) Complexed with Fe(II) and Ethylene Glycol:
1.14.20.1;

Protein crystallography data

The structure of Deacetoxycephalosporin C Synthase (with His-Tag) Complexed with Fe(II) and Ethylene Glycol, PDB code: 1w2a was solved by L.M.Oster, A.C.Terwisscha Van Scheltinga, K.Valegard, A.Mackenzie Hose, A.Dubus, J.Hajdu, I.Andersson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 59.76 / 2.51
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 137.800, 137.800, 48.600, 90.00, 90.00, 120.00
R / Rfree (%) 22.8 / 25.4

Iron Binding Sites:

The binding sites of Iron atom in the Deacetoxycephalosporin C Synthase (with His-Tag) Complexed with Fe(II) and Ethylene Glycol (pdb code 1w2a). 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 Deacetoxycephalosporin C Synthase (with His-Tag) Complexed with Fe(II) and Ethylene Glycol, PDB code: 1w2a:

Iron binding site 1 out of 1 in 1w2a

Go back to Iron Binding Sites List in 1w2a
Iron binding site 1 out of 1 in the Deacetoxycephalosporin C Synthase (with His-Tag) Complexed with Fe(II) and Ethylene Glycol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Deacetoxycephalosporin C Synthase (with His-Tag) Complexed with Fe(II) and Ethylene Glycol within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Fe1302

b:40.2
occ:1.00
 O2 X:EDO1301 1.7 45.3 1.0
O X:HOH2082 1.9 32.9 1.0
OD2 X:ASP185 2.0 39.2 1.0
NE2 X:HIS243 2.2 37.0 1.0
NE2 X:HIS183 2.4 48.1 1.0
O X:HOH2063 2.4 33.1 1.0
C2 X:EDO1301 2.9 51.4 1.0
CG X:ASP185 2.9 46.0 1.0
CE1 X:HIS243 3.1 38.1 1.0
OD1 X:ASP185 3.2 40.9 1.0
CD2 X:HIS243 3.2 37.4 1.0
CE1 X:HIS183 3.2 46.0 1.0
CD2 X:HIS183 3.3 46.2 1.0
C1 X:EDO1301 4.1 54.4 1.0
O1 X:EDO1301 4.2 55.4 1.0
ND1 X:HIS243 4.2 36.1 1.0
ND1 X:HIS183 4.3 47.7 1.0
CG X:HIS243 4.3 38.2 1.0
CG X:HIS183 4.3 49.1 1.0
CB X:ASP185 4.4 47.6 1.0
CA X:ASP185 4.8 48.2 1.0
CE1 X:PHE264 4.9 38.3 1.0
N X:ASP185 5.0 48.4 1.0

Reference:

L.M.Oster, A.C.Terwisscha Van Scheltinga, K.Valegard, A.Mackenzie Hose, A.Dubus, J.Hajdu, I.Andersson. Conformational Flexibility of the C Terminus with Implications For Substrate Binding and Catalysis Revealed in A New Crystal Form of Deacetoxycephalosporin C Synthase J.Mol.Biol. V. 343 157 2004.
ISSN: ISSN 0022-2836
PubMed: 15381427
DOI: 10.1016/J.JMB.2004.07.049
Page generated: Wed Jul 16 21:47:28 2025

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