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Iron in PDB 1w2o: Deacetoxycephalosporin C Synthase (with A N-Terminal His- Tag) in Complex with Fe(II) and Deacetoxycephalosporin C

Enzymatic activity of Deacetoxycephalosporin C Synthase (with A N-Terminal His- Tag) in Complex with Fe(II) and Deacetoxycephalosporin C

All present enzymatic activity of Deacetoxycephalosporin C Synthase (with A N-Terminal His- Tag) in Complex with Fe(II) and Deacetoxycephalosporin C:
1.14.10.1;

Protein crystallography data

The structure of Deacetoxycephalosporin C Synthase (with A N-Terminal His- Tag) in Complex with Fe(II) and Deacetoxycephalosporin C, PDB code: 1w2o 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) 45.64 / 3.0
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 139.100, 139.100, 48.600, 90.00, 90.00, 120.00
R / Rfree (%) 27.2 / 33.4

Iron Binding Sites:

The binding sites of Iron atom in the Deacetoxycephalosporin C Synthase (with A N-Terminal His- Tag) in Complex with Fe(II) and Deacetoxycephalosporin C (pdb code 1w2o). 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 A N-Terminal His- Tag) in Complex with Fe(II) and Deacetoxycephalosporin C, PDB code: 1w2o:

Iron binding site 1 out of 1 in 1w2o

Go back to Iron Binding Sites List in 1w2o
Iron binding site 1 out of 1 in the Deacetoxycephalosporin C Synthase (with A N-Terminal His- Tag) in Complex with Fe(II) and Deacetoxycephalosporin C


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 A N-Terminal His- Tag) in Complex with Fe(II) and Deacetoxycephalosporin C within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1299

b:52.3
occ:1.00
 OD2 A:ASP185 2.1 44.8 1.0
NE2 A:HIS243 2.3 43.0 1.0
C33 A:P1C1300 2.6 99.4 1.0
OD1 A:ASP185 2.6 44.9 1.0
NE2 A:HIS183 2.7 51.9 1.0
CG A:ASP185 2.8 44.9 1.0
CD2 A:HIS243 3.1 44.4 1.0
CE1 A:HIS243 3.4 44.4 1.0
CD2 A:HIS183 3.6 51.6 1.0
CE1 A:HIS183 3.6 51.7 1.0
C32 A:P1C1300 3.7 99.8 1.0
C37 A:P1C1300 3.8 99.9 1.0
CB A:ASP185 4.3 44.1 1.0
CG A:HIS243 4.3 45.7 1.0
ND1 A:HIS243 4.5 45.1 1.0
CE1 A:PHE264 4.6 39.2 1.0
ND1 A:HIS183 4.7 50.7 1.0
CG A:HIS183 4.7 50.0 1.0
CZ A:PHE264 4.8 38.8 1.0
C30 A:P1C1300 4.9 99.2 1.0
CA A:ASP185 5.0 44.4 1.0
O42 A:P1C1300 5.0 98.0 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: Sat Aug 3 16:26:16 2024

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