Iron in PDB 8p7p: Isopenicillin N Synthase in Complex with Fe and Aad-Val-[(R)-1-Amino- 2-Methylpropane-1-Sulfonic Acid]

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

All present enzymatic activity of Isopenicillin N Synthase in Complex with Fe and Aad-Val-[(R)-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-Val-[(R)-1-Amino- 2-Methylpropane-1-Sulfonic Acid], PDB code: 8p7p 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) 41.80 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 41.23, 74.49, 101.01, 90, 90, 90
R / Rfree (%) 20.7 / 24.2

Iron Binding Sites:

The binding sites of Iron atom in the Isopenicillin N Synthase in Complex with Fe and Aad-Val-[(R)-1-Amino- 2-Methylpropane-1-Sulfonic Acid] (pdb code 8p7p). 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-Val-[(R)-1-Amino- 2-Methylpropane-1-Sulfonic Acid], PDB code: 8p7p:

Iron binding site 1 out of 1 in 8p7p

Go back to Iron Binding Sites List in 8p7p
Iron binding site 1 out of 1 in the Isopenicillin N Synthase in Complex with Fe and Aad-Val-[(R)-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-Val-[(R)-1-Amino- 2-Methylpropane-1-Sulfonic Acid] within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe404

b:18.1
occ:1.00
 O A:HOH676 2.0 20.2 1.0
OD1 A:ASP216 2.1 16.7 1.0
NE2 A:HIS270 2.2 18.3 1.0
NE2 A:HIS214 2.2 16.8 1.0
O A:HOH511 2.3 18.4 1.0
S A:X2R401 2.4 19.6 1.0
CG A:ASP216 3.1 18.8 1.0
CE1 A:HIS270 3.1 18.0 1.0
CE1 A:HIS214 3.1 17.6 1.0
CD2 A:HIS270 3.2 19.7 1.0
CD2 A:HIS214 3.3 16.2 1.0
OD2 A:ASP216 3.4 17.7 1.0
C2 A:X2R401 3.4 18.4 1.0
O A:HOH740 3.9 25.2 1.0
O A:HOH728 4.1 24.2 1.0
O A:HOH748 4.2 24.8 1.0
ND1 A:HIS270 4.2 19.2 1.0
ND1 A:HIS214 4.2 17.5 1.0
CG A:HIS270 4.3 20.0 1.0
CG A:HIS214 4.4 15.3 1.0
CB A:ASP216 4.4 17.3 1.0
O1 A:X2R401 4.5 20.8 1.0
CA A:ASP216 4.7 16.3 1.0
O A:HOH678 4.7 18.3 1.0
C1 A:X2R401 4.8 20.1 1.0
N A:ASP216 5.0 19.8 1.0

Reference:

P.Rabe, C.J.Schofield. Isopenicillin N Synthase in Complex with Fe and Aad-Val-[(R)-1-Amino-2-Methylpropane-1-Sulfonic Acid] To Be Published.
Page generated: Sat Aug 10 08:50:34 2024

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