Iron in PDB 8pya: Isopenicillin N Synthase in Complex with Fe, O2, Acdv or Thioaldehyde After 4S O2 Exposure

Enzymatic activity of Isopenicillin N Synthase in Complex with Fe, O2, Acdv or Thioaldehyde After 4S O2 Exposure

All present enzymatic activity of Isopenicillin N Synthase in Complex with Fe, O2, Acdv or Thioaldehyde After 4S O2 Exposure:
1.21.3.1;

Protein crystallography data

The structure of Isopenicillin N Synthase in Complex with Fe, O2, Acdv or Thioaldehyde After 4S O2 Exposure, PDB code: 8pya was solved by P.Rabe, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.48 / 1.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 41.701, 75.179, 101.711, 90, 90, 90
R / Rfree (%) 18.1 / 20.7

Iron Binding Sites:

The binding sites of Iron atom in the Isopenicillin N Synthase in Complex with Fe, O2, Acdv or Thioaldehyde After 4S O2 Exposure (pdb code 8pya). 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 Isopenicillin N Synthase in Complex with Fe, O2, Acdv or Thioaldehyde After 4S O2 Exposure, PDB code: 8pya:

Iron binding site 1 out of 1 in 8pya

Go back to Iron Binding Sites List in 8pya
Iron binding site 1 out of 1 in the Isopenicillin N Synthase in Complex with Fe, O2, Acdv or Thioaldehyde After 4S O2 Exposure


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Isopenicillin N Synthase in Complex with Fe, O2, Acdv or Thioaldehyde After 4S O2 Exposure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe405

b:19.2
occ:1.00
 OD1 A:ASP216 2.1 18.0 1.0
O A:HOH547 2.1 23.3 1.0
NE2 A:HIS270 2.2 13.6 1.0
NE2 A:HIS214 2.2 15.3 1.0
O1 A:OXY404 2.3 37.6 0.5
O1 A:OXY404 2.3 27.2 0.5
S17 A:ACV403 2.3 20.6 0.5
O2 A:OXY404 2.4 38.4 0.5
CE1 A:HIS270 3.0 13.8 1.0
CG A:ASP216 3.1 17.6 1.0
HE1 A:HIS270 3.1 16.6 1.0
CD2 A:HIS214 3.1 15.4 1.0
CE1 A:HIS214 3.2 16.6 1.0
CD2 A:HIS270 3.2 14.4 1.0
O2 A:OXY404 3.3 38.7 0.5
HD2 A:HIS214 3.3 18.5 1.0
HE1 A:HIS214 3.3 20.0 1.0
C16 A:ACV403 3.4 33.1 0.5
OD2 A:ASP216 3.4 17.5 1.0
HD2 A:HIS270 3.4 17.3 1.0
C16 A:IO0406 4.2 39.5 0.5
ND1 A:HIS270 4.2 14.5 1.0
HA A:ASP216 4.2 21.4 1.0
S A:IO0406 4.3 45.3 0.5
ND1 A:HIS214 4.3 16.8 1.0
CG A:HIS270 4.3 14.9 1.0
CG A:HIS214 4.3 16.1 1.0
O A:HOH670 4.3 31.6 1.0
CB A:ASP216 4.4 17.8 1.0
HE1 A:PHE285 4.4 18.4 1.0
N29 A:ACV403 4.6 34.4 0.5
N29 A:IO0406 4.7 34.5 0.5
CA A:ASP216 4.7 17.8 1.0
C12 A:ACV403 4.7 32.3 0.5
HG21 A:THR221 4.8 17.7 1.0
C13 A:IO0406 4.9 35.5 0.5
HD21 A:ASN252 4.9 18.1 1.0
N A:ASP216 4.9 18.4 1.0
HB3 A:ASP216 4.9 21.4 1.0
HD1 A:HIS270 4.9 17.4 1.0
HB2 A:ASP216 4.9 21.4 1.0
C13 A:ACV403 5.0 34.9 0.5

Reference:

P.Rabe, C.J.Schofield. Isopenicillin N Synthase in Complex with Fe, O2, Acdv or Thioaldehyde After 4S O2 Exposure To Be Published.
Page generated: Sun Aug 11 12:03:24 2024

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