Iron in PDB 6y0p: 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;

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

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 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

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.