Iron in PDB 8p7o: Isopenicillin N Synthase in Complex with Fe and Aad-Cys-[(S)-1-Amino- 2-Methylpropane-1-Sulfonic Acid]

Enzymatic activity of Isopenicillin N Synthase in Complex with Fe and Aad-Cys-[(S)-1-Amino- 2-Methylpropane-1-Sulfonic Acid]

All present enzymatic activity of Isopenicillin N Synthase in Complex with Fe and Aad-Cys-[(S)-1-Amino- 2-Methylpropane-1-Sulfonic Acid]:
1.21.3.1;

Protein crystallography data

The structure of Isopenicillin N Synthase in Complex with Fe and Aad-Cys-[(S)-1-Amino- 2-Methylpropane-1-Sulfonic Acid], PDB code: 8p7o 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) 59.93 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 41.259, 74.459, 100.994, 90, 90, 90
R / Rfree (%) 19.6 / 22.7

Iron Binding Sites:

The binding sites of Iron atom in the Isopenicillin N Synthase in Complex with Fe and Aad-Cys-[(S)-1-Amino- 2-Methylpropane-1-Sulfonic Acid] (pdb code 8p7o). 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 and Aad-Cys-[(S)-1-Amino- 2-Methylpropane-1-Sulfonic Acid], PDB code: 8p7o:

Iron binding site 1 out of 1 in 8p7o

Go back to Iron Binding Sites List in 8p7o
Iron binding site 1 out of 1 in the Isopenicillin N Synthase in Complex with Fe and Aad-Cys-[(S)-1-Amino- 2-Methylpropane-1-Sulfonic Acid]


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 and Aad-Cys-[(S)-1-Amino- 2-Methylpropane-1-Sulfonic Acid] within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe403

b:13.8
occ:1.00
 O A:HOH704 2.1 16.1 1.0
OD1 A:ASP216 2.1 13.2 1.0
NE2 A:HIS214 2.2 15.2 1.0
O A:HOH523 2.2 15.9 1.0
NE2 A:HIS270 2.2 11.1 1.0
S A:X5L404 2.4 15.8 1.0
CG A:ASP216 3.1 13.1 1.0
CE1 A:HIS214 3.1 12.8 1.0
CD2 A:HIS270 3.2 15.0 1.0
CD2 A:HIS214 3.2 12.2 1.0
CE1 A:HIS270 3.2 12.7 1.0
OD2 A:ASP216 3.4 14.4 1.0
C2 A:X5L404 3.4 17.9 1.0
O A:HOH832 3.8 22.9 1.0
ND1 A:HIS214 4.2 12.8 1.0
O A:HOH838 4.3 22.7 1.0
CG A:HIS214 4.3 12.9 1.0
ND1 A:HIS270 4.3 10.2 1.0
CG A:HIS270 4.3 14.1 1.0
O A:HOH823 4.4 20.1 1.0
CB A:ASP216 4.5 15.0 1.0
O1 A:X5L404 4.5 20.4 1.0
O A:HOH729 4.8 19.7 1.0
CA A:ASP216 4.8 13.1 1.0
C1 A:X5L404 4.8 18.2 1.0

Reference:

P.Rabe, C.J.Schofield. Isopenicillin N Synthase in Complex with Fe and Aad-Cys-[(S)-1-Amino-2-Methylpropane-1-Sulfonic Acid] To Be Published.
Page generated: Sat Aug 10 08:49:05 2024

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