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Iron in PDB 1qje: Isopenicillin N Synthase From Aspergillus Nidulans (IP1 - Fe Complex)

Protein crystallography data

The structure of Isopenicillin N Synthase From Aspergillus Nidulans (IP1 - Fe Complex), PDB code: 1qje was solved by N.I.Burzlaff, I.J.Clifton, P.J.Rutledge, P.L.Roach, R.M.Adlington, J.E.Baldwin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 1.35
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 46.670, 71.910, 101.730, 90.00, 90.00, 90.00
R / Rfree (%) 13.1 / 18.7

Iron Binding Sites:

The binding sites of Iron atom in the Isopenicillin N Synthase From Aspergillus Nidulans (IP1 - Fe Complex) (pdb code 1qje). 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 From Aspergillus Nidulans (IP1 - Fe Complex), PDB code: 1qje:

Iron binding site 1 out of 1 in 1qje

Go back to Iron Binding Sites List in 1qje
Iron binding site 1 out of 1 in the Isopenicillin N Synthase From Aspergillus Nidulans (IP1 - Fe Complex)


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 From Aspergillus Nidulans (IP1 - Fe Complex) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1335

b:24.2
occ:1.00
NE2 A:HIS214 2.0 14.1 1.0
OD1 A:ASP216 2.1 13.7 1.0
S17 A:ACV1334 2.2 17.8 0.3
O A:HOH2358 2.2 24.7 1.0
NE2 A:HIS270 2.2 13.5 1.0
C37 A:ACV1334 2.5 15.6 0.3
S17 A:IP11333 2.9 23.5 0.7
CD2 A:HIS214 3.0 13.2 1.0
CE1 A:HIS214 3.1 13.8 1.0
CG A:ASP216 3.1 11.5 1.0
CE1 A:HIS270 3.1 13.3 1.0
CD2 A:HIS270 3.2 13.9 1.0
C16 A:ACV1334 3.3 19.7 0.3
OD2 A:ASP216 3.5 12.3 1.0
C32 A:ACV1334 3.5 18.1 0.3
C37 A:IP11333 3.7 18.4 0.7
C33 A:ACV1334 3.8 17.2 0.3
C16 A:IP11333 3.8 20.0 0.7
C32 A:IP11333 3.8 18.5 0.7
O A:HOH2401 4.1 31.1 1.0
CG A:HIS214 4.2 12.6 1.0
ND1 A:HIS214 4.2 12.3 1.0
N29 A:ACV1334 4.2 19.9 0.3
ND1 A:HIS270 4.2 10.9 1.0
CG A:HIS270 4.3 12.1 1.0
C13 A:ACV1334 4.4 20.0 0.3
CB A:ASP216 4.5 11.1 1.0
C30 A:ACV1334 4.5 18.1 0.3
C33 A:IP11333 4.5 20.1 0.7
C12 A:ACV1334 4.6 19.4 0.3
O A:HOH2360 4.7 35.9 1.0
CA A:ASP216 4.7 11.3 1.0
N A:ASP216 4.8 10.8 1.0
N29 A:IP11333 4.9 20.4 0.7
C12 A:IP11333 4.9 20.4 0.7

Reference:

N.I.Burzlaff, P.J.Rutledge, I.J.Clifton, C.M.H.Hensgens, M.Pickford, R.M.Adlington, P.L.Roach, J.E.Baldwin. The Reaction Cycle of Isopenicillin N Synthase Observed By X-Ray Diffraction Nature V. 401 721 1999.
ISSN: ISSN 0028-0836
PubMed: 10537113
DOI: 10.1038/44400
Page generated: Sat Aug 3 13:29:02 2024

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