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Iron in PDB 6y0o: Isopenicillin N Synthase in Complex with Acv and Fe Under Anaerobic Environment Using Ft-Ssx Methods

Enzymatic activity of Isopenicillin N Synthase in Complex with Acv and Fe Under Anaerobic Environment Using Ft-Ssx Methods

All present enzymatic activity of Isopenicillin N Synthase in Complex with Acv and Fe Under Anaerobic Environment Using Ft-Ssx Methods:
1.21.3.1;

Protein crystallography data

The structure of Isopenicillin N Synthase in Complex with Acv and Fe Under Anaerobic Environment Using Ft-Ssx Methods, PDB code: 6y0o was solved by P.Rabe, J.H.Beale, P.A.Lang, A.S.Dirr, T.M.Leissing, A.Butryn, P.Aller, J.J.A.G.Kamps, D.Axford, M.A.Mcdonough, A.M.Orville, R.Owen, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 60.85 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 41.889, 75.797, 102.034, 90.00, 90.00, 90.00
R / Rfree (%) 20.9 / 24.7

Iron Binding Sites:

The binding sites of Iron atom in the Isopenicillin N Synthase in Complex with Acv and Fe Under Anaerobic Environment Using Ft-Ssx Methods (pdb code 6y0o). 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 Acv and Fe Under Anaerobic Environment Using Ft-Ssx Methods, PDB code: 6y0o:

Iron binding site 1 out of 1 in 6y0o

Go back to Iron Binding Sites List in 6y0o
Iron binding site 1 out of 1 in the Isopenicillin N Synthase in Complex with Acv and Fe Under Anaerobic Environment Using Ft-Ssx Methods


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 Acv and Fe Under Anaerobic Environment Using Ft-Ssx Methods within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe404

b:27.0
occ:1.00
 OD1 A:ASP216 1.9 36.2 1.0
O A:HOH578 2.0 19.5 1.0
NE2 A:HIS214 2.1 18.1 1.0
NE2 A:HIS270 2.2 29.1 1.0
S17 A:ACV403 2.5 24.4 1.0
HS7 A:ACV403 2.7 29.3 1.0
H332 A:ACV403 2.9 41.1 1.0
CG A:ASP216 3.0 36.3 1.0
CD2 A:HIS214 3.0 17.2 1.0
CE1 A:HIS270 3.1 23.5 1.0
CE1 A:HIS214 3.1 16.1 1.0
HD2 A:HIS214 3.2 20.7 1.0
CD2 A:HIS270 3.2 22.6 1.0
HE1 A:HIS270 3.2 28.2 1.0
HE1 A:HIS214 3.3 19.4 1.0
OD2 A:ASP216 3.3 38.4 1.0
H161 A:ACV403 3.3 33.3 1.0
HD2 A:HIS270 3.4 27.1 1.0
C16 A:ACV403 3.5 27.8 1.0
H331 A:ACV403 3.5 41.1 1.0
C33 A:ACV403 3.7 34.2 1.0
H162 A:ACV403 3.9 33.3 1.0
HA A:ASP216 4.0 24.4 1.0
O A:HOH599 4.1 25.8 1.0
H373 A:ACV403 4.1 42.2 1.0
ND1 A:HIS270 4.2 23.5 1.0
ND1 A:HIS214 4.2 17.6 1.0
CG A:HIS214 4.2 17.6 1.0
CG A:HIS270 4.3 21.9 1.0
CB A:ASP216 4.3 25.9 1.0
H333 A:ACV403 4.4 41.1 1.0
H371 A:ACV403 4.5 42.2 1.0
HE1 A:PHE285 4.5 21.3 1.0
CA A:ASP216 4.6 20.4 1.0
O A:HOH598 4.6 25.7 1.0
C37 A:ACV403 4.7 35.2 1.0
N A:ASP216 4.8 17.4 1.0
HB3 A:ASP216 4.8 31.1 1.0
HD21 A:ASN252 4.8 18.1 1.0
C32 A:ACV403 4.8 33.0 1.0
HG21 A:THR221 4.8 23.1 1.0
HNT A:ACV403 4.9 29.0 1.0
HB2 A:ASP216 4.9 31.1 1.0
H A:ASP216 4.9 20.9 1.0
HG1 A:THR221 4.9 25.1 1.0
C12 A:ACV403 4.9 27.1 1.0
HD1 A:HIS270 4.9 28.2 1.0
HD1 A:HIS214 4.9 21.1 1.0
N29 A:ACV403 5.0 24.2 1.0

Reference:

P.Rabe, J.H.Beale, A.Butryn, P.Aller, A.Dirr, P.A.Lang, D.N.Axford, S.B.Carr, T.M.Leissing, M.A.Mcdonough, B.Davy, A.Ebrahim, J.Orlans, S.L.S.Storm, A.M.Orville, C.J.Schofield, R.L.Owen. Anaerobic Fixed-Target Serial Crystallography. Iucrj V. 7 901 2020.
ISSN: ESSN 2052-2525
PubMed: 32939282
DOI: 10.1107/S2052252520010374
Page generated: Wed Aug 7 15:48:51 2024

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