Iron in PDB 6y0p: Isopenicillin N Synthase in Complex with Ipn and Fe Using Ft-Ssx Methods

Enzymatic activity of Isopenicillin N Synthase in Complex with Ipn and Fe Using Ft-Ssx Methods

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

Protein crystallography data

The structure of Isopenicillin N Synthase in Complex with Ipn and Fe Using Ft-Ssx Methods, PDB code: 6y0p 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) 60.51 / 1.98
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 41.766, 75.231, 101.82, 90, 90, 90
R / Rfree (%) 18.9 / 22

Iron Binding Sites:

The binding sites of Iron atom in the Isopenicillin N Synthase in Complex with Ipn and Fe Using Ft-Ssx Methods (pdb code 6y0p). 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 Ipn and Fe Using Ft-Ssx Methods, PDB code: 6y0p:

Iron binding site 1 out of 1 in 6y0p

Go back to Iron Binding Sites List in 6y0p
Iron binding site 1 out of 1 in the Isopenicillin N Synthase in Complex with Ipn and Fe 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 Ipn and Fe Using Ft-Ssx Methods within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe403

b:77.7
occ:0.60
OD1 A:ASP216 2.1 44.5 1.0
NE2 A:HIS214 2.1 59.9 1.0
NE2 A:HIS270 2.3 19.4 1.0
O A:HOH529 2.4 35.1 1.0
H373 A:IP1402 2.7 63.2 1.0
S17 A:IP1402 2.8 53.0 1.0
CE1 A:HIS214 3.1 59.8 1.0
CD2 A:HIS214 3.1 59.7 1.0
CG A:ASP216 3.1 37.8 1.0
CD2 A:HIS270 3.2 19.5 1.0
CE1 A:HIS270 3.2 19.7 1.0
HE1 A:HIS214 3.2 71.8 1.0
HD2 A:HIS214 3.3 71.7 1.0
HD2 A:HIS270 3.3 23.5 1.0
H371 A:IP1402 3.4 63.2 1.0
C37 A:IP1402 3.4 52.6 1.0
HE1 A:HIS270 3.4 23.7 1.0
OD2 A:ASP216 3.5 38.2 1.0
H16 A:IP1402 3.6 65.8 1.0
C32 A:IP1402 3.7 53.2 1.0
H331 A:IP1402 3.8 63.9 1.0
C16 A:IP1402 3.8 54.8 1.0
O A:HOH598 4.1 40.0 1.0
ND1 A:HIS214 4.2 60.2 1.0
CG A:HIS214 4.2 56.5 1.0
HA A:ASP216 4.3 23.7 1.0
ND1 A:HIS270 4.3 20.0 1.0
C33 A:IP1402 4.3 53.2 1.0
CG A:HIS270 4.3 19.6 1.0
H372 A:IP1402 4.4 63.2 1.0
HE1 A:PHE285 4.4 22.1 1.0
CB A:ASP216 4.5 27.5 1.0
O A:HOH605 4.6 38.8 1.0
H11 A:IP1402 4.7 64.8 1.0
CA A:ASP216 4.8 19.7 1.0
H333 A:IP1402 4.8 63.9 1.0
HG21 A:THR221 4.9 17.6 1.0
N A:ASP216 4.9 35.6 1.0
HD1 A:HIS214 4.9 72.2 1.0
N29 A:IP1402 5.0 55.3 1.0
HD21 A:ASN252 5.0 21.3 1.0
HB2 A:ASP216 5.0 33.1 1.0

Reference:

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. Isopenicillin N Synthase in Complex with Ipn and Fe Under Aerobic Environment Using Ft-Ssx Methods To Be Published.
Page generated: Wed Mar 3 13:59:30 2021

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