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Iron in PDB 1w2n: Deacetoxycephalosporin C Synthase (with A N-Terminal His- Tag) in Complex with Fe(II) and Ampicillin

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

All present enzymatic activity of Deacetoxycephalosporin C Synthase (with A N-Terminal His- Tag) in Complex with Fe(II) and Ampicillin:
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 Ampicillin, PDB code: 1w2n 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) 45.18 / 2.70
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 138.800, 138.800, 48.600, 90.00, 90.00, 120.00
R / Rfree (%) 24.6 / 28.7

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 Ampicillin (pdb code 1w2n). 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 Ampicillin, PDB code: 1w2n:

Iron binding site 1 out of 1 in 1w2n

Go back to Iron Binding Sites List in 1w2n
Iron binding site 1 out of 1 in the Deacetoxycephalosporin C Synthase (with A N-Terminal His- Tag) in Complex with Fe(II) and Ampicillin


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 Ampicillin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe312

b:68.4
occ:1.00
 O A:HOH2025 2.0 62.6 1.0
S1 A:PN1315 2.1 0.5 1.0
OD2 A:ASP185 2.1 70.6 1.0
NE2 A:HIS243 2.4 52.7 1.0
OD1 A:ASP185 2.8 70.4 1.0
NE2 A:HIS183 2.8 67.8 1.0
CG A:ASP185 2.8 68.2 1.0
CE1 A:HIS243 3.3 54.7 1.0
CD2 A:HIS243 3.3 52.7 1.0
CD2 A:HIS183 3.5 68.6 1.0
C13 A:PN1315 3.5 0.1 1.0
CE1 A:HIS183 3.6 66.9 1.0
C6 A:PN1315 3.6 0.9 1.0
N1 A:PN1315 3.8 0.7 1.0
C1 A:PN1315 3.9 0.1 1.0
C14 A:PN1315 4.2 0.8 1.0
CB A:ASP185 4.3 67.5 1.0
C16 A:PN1315 4.3 0.5 1.0
ND1 A:HIS243 4.4 53.7 1.0
CG A:HIS243 4.5 56.4 1.0
CG A:HIS183 4.5 69.1 1.0
ND1 A:HIS183 4.5 69.5 1.0
C12 A:PN1315 4.6 0.6 1.0
N3 A:PN1315 4.7 0.0 1.0
CE1 A:PHE264 4.8 60.3 1.0
C3 A:PN1315 4.8 0.3 1.0
CA A:ASP185 4.9 67.7 1.0
CE1 A:PHE225 4.9 53.3 1.0
CD1 A:PHE225 5.0 54.8 1.0
CZ A:PHE264 5.0 61.2 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: Sun Dec 13 14:34:51 2020

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