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Iron in PDB 8rdb: Isopenicillin N Synthase N252E Variant in Complex with Fe and Acv Under Anaerobic Conditions

Enzymatic activity of Isopenicillin N Synthase N252E Variant in Complex with Fe and Acv Under Anaerobic Conditions

All present enzymatic activity of Isopenicillin N Synthase N252E Variant in Complex with Fe and Acv Under Anaerobic Conditions:
1.21.3.1;

Protein crystallography data

The structure of Isopenicillin N Synthase N252E Variant in Complex with Fe and Acv Under Anaerobic Conditions, PDB code: 8rdb was solved by A.Stead, P.Rabe, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.83 / 1.37
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 41.27, 74.56, 101.07, 90, 90, 90
R / Rfree (%) 15.6 / 19.3

Iron Binding Sites:

The binding sites of Iron atom in the Isopenicillin N Synthase N252E Variant in Complex with Fe and Acv Under Anaerobic Conditions (pdb code 8rdb). 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 N252E Variant in Complex with Fe and Acv Under Anaerobic Conditions, PDB code: 8rdb:

Iron binding site 1 out of 1 in 8rdb

Go back to Iron Binding Sites List in 8rdb
Iron binding site 1 out of 1 in the Isopenicillin N Synthase N252E Variant in Complex with Fe and Acv Under Anaerobic Conditions


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 N252E Variant in Complex with Fe and Acv Under Anaerobic Conditions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe405

b:16.0
occ:1.00
 O A:HOH636 2.0 25.4 1.0
OD1 A:ASP216 2.0 18.9 1.0
NE2 A:HIS270 2.2 16.0 1.0
NE2 A:HIS214 2.2 15.8 1.0
S17 A:ACV406 2.3 15.8 1.0
CG A:ASP216 3.0 17.6 1.0
CE1 A:HIS270 3.0 17.5 1.0
CD2 A:HIS214 3.0 13.6 1.0
CD2 A:HIS270 3.2 16.4 1.0
CE1 A:HIS214 3.2 16.2 1.0
OD2 A:ASP216 3.3 18.6 1.0
C16 A:ACV406 3.4 14.5 1.0
C33 A:ACV406 3.4 25.4 1.0
ND1 A:HIS270 4.2 16.1 1.0
CG A:HIS214 4.2 14.5 1.0
C37 A:ACV406 4.3 23.9 1.0
ND1 A:HIS214 4.3 15.8 1.0
CG A:HIS270 4.3 16.4 1.0
CB A:ASP216 4.3 15.8 1.0
C32 A:ACV406 4.5 22.0 1.0
OE2 A:GLU252 4.5 23.7 0.5
OE2 A:GLU252 4.5 22.4 0.5
CA A:ASP216 4.6 15.0 1.0
C12 A:ACV406 4.7 15.3 1.0
OE1 A:GLU252 4.7 20.4 0.5
N A:ASP216 4.8 15.7 1.0
N29 A:ACV406 4.8 17.7 1.0
C13 A:ACV406 4.8 16.9 1.0
O A:HOH713 4.9 19.0 1.0
CD A:GLU252 4.9 21.7 0.5

Reference:

A.Stead, P.Rabe, C.J.Schofield. Isopenicillin N Synthase N252E Variant in Complex with Fe and Acv Under Anaerobic Conditions To Be Published.
Page generated: Thu Aug 7 21:59:42 2025

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