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Iron in PDB 6zag: Room Temperature Xfel Isopenicillin N Synthase Structure in Complex with Fe and Acv After Exposure to Dioxygen For 500MS.

Enzymatic activity of Room Temperature Xfel Isopenicillin N Synthase Structure in Complex with Fe and Acv After Exposure to Dioxygen For 500MS.

All present enzymatic activity of Room Temperature Xfel Isopenicillin N Synthase Structure in Complex with Fe and Acv After Exposure to Dioxygen For 500MS.:
1.21.3.1;

Protein crystallography data

The structure of Room Temperature Xfel Isopenicillin N Synthase Structure in Complex with Fe and Acv After Exposure to Dioxygen For 500MS., PDB code: 6zag was solved by P.Rabe, J.J.A.G.Kamps, K.Sutherlin, C.Pharm, M.A.Mcdonough, T.M.Leissing, P.Aller, A.Butryn, J.Linyard, P.Lang, J.Brem, F.D.Fuller, A.Batyuk, M.S.Hunter, I.Pettinati, I.J.Clifton, R.Alonso-Mori, S.Gul, I.Young, I.Kim, A.Bhowmick, L.Oriordan, A.S.Brewster, T.D.W.Claridge, N.K.Sauter, V.Yachandra, J.Yano, J.F.Kern, A.M.Orville, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.29 / 1.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 41.898, 75.879, 101.904, 90, 90, 90
R / Rfree (%) 16.8 / 18.1

Iron Binding Sites:

The binding sites of Iron atom in the Room Temperature Xfel Isopenicillin N Synthase Structure in Complex with Fe and Acv After Exposure to Dioxygen For 500MS. (pdb code 6zag). 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 Room Temperature Xfel Isopenicillin N Synthase Structure in Complex with Fe and Acv After Exposure to Dioxygen For 500MS., PDB code: 6zag:

Iron binding site 1 out of 1 in 6zag

Go back to Iron Binding Sites List in 6zag
Iron binding site 1 out of 1 in the Room Temperature Xfel Isopenicillin N Synthase Structure in Complex with Fe and Acv After Exposure to Dioxygen For 500MS.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Room Temperature Xfel Isopenicillin N Synthase Structure in Complex with Fe and Acv After Exposure to Dioxygen For 500MS. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe404

b:18.4
occ:1.00
 OD1 A:ASP216 2.0 19.9 1.0
O A:HOH596 2.1 25.1 1.0
NE2 A:HIS214 2.2 17.9 1.0
NE2 A:HIS270 2.2 17.1 1.0
S17 A:ACV403 2.3 19.8 1.0
CG A:ASP216 3.0 18.6 1.0
H332 A:ACV403 3.0 38.2 1.0
CE1 A:HIS270 3.1 17.7 1.0
CD2 A:HIS214 3.1 17.8 1.0
HE1 A:HIS270 3.2 21.3 1.0
HD2 A:HIS214 3.2 21.4 1.0
CE1 A:HIS214 3.2 19.2 1.0
H161 A:ACV403 3.2 24.0 1.0
CD2 A:HIS270 3.2 17.3 1.0
OD2 A:ASP216 3.3 20.5 1.0
C16 A:ACV403 3.4 20.0 1.0
HE1 A:HIS214 3.5 23.1 1.0
HD2 A:HIS270 3.5 20.8 1.0
H373 A:ACV403 3.6 38.4 1.0
H331 A:ACV403 3.6 38.2 1.0
H162 A:ACV403 3.7 24.0 1.0
C33 A:ACV403 3.8 31.8 1.0
H371 A:ACV403 4.1 38.4 1.0
HA A:ASP216 4.1 20.8 1.0
ND1 A:HIS270 4.2 18.1 1.0
O A:HOH640 4.3 26.2 1.0
CG A:HIS214 4.3 17.7 1.0
C37 A:ACV403 4.3 32.0 1.0
ND1 A:HIS214 4.3 17.5 1.0
CG A:HIS270 4.3 16.0 1.0
CB A:ASP216 4.3 19.4 1.0
HE1 A:PHE285 4.4 22.7 1.0
H333 A:ACV403 4.6 38.2 1.0
CA A:ASP216 4.6 17.3 1.0
C32 A:ACV403 4.6 31.1 1.0
C12 A:ACV403 4.7 21.1 1.0
HG21 A:THR221 4.7 23.7 1.0
O A:HOH592 4.8 24.5 1.0
HNT A:ACV403 4.8 28.0 1.0
HB3 A:ASP216 4.8 23.2 1.0
HD21 A:ASN252 4.8 22.9 1.0
N29 A:ACV403 4.9 23.3 1.0
HG1 A:THR221 4.9 22.0 1.0
HB2 A:ASP216 4.9 23.2 1.0
N A:ASP216 4.9 18.8 1.0
C13 A:ACV403 4.9 23.6 1.0
HD1 A:HIS270 4.9 21.7 1.0
HNB A:ACV403 4.9 25.4 1.0

Reference:

P.Rabe, J.J.A.G.Kamps, K.Sutherlin, C.Pharm, M.A.Mcdonough, T.M.Leissing, P.Aller, A.Butryn, J.Linyard, P.Lang, J.Brem, F.D.Fuller, A.Batyuk, M.S.Hunter, I.Pettinati, I.J.Clifton, R.Alonso-Mori, S.Gul, I.Young, I.Kim, A.Bhowmick, L.Oriordan, A.S.Brewster, T.D.W.Claridge, N.K.Sauter, V.Yachandra, J.Yano, J.F.Kern, A.M.Orville, C.J.Schofield. Room Temperature Xfel Isopenicillin N Synthase Structure in Complex with Fe and Acv After Exposure to Dioxygen For 500MS. To Be Published.
Page generated: Sat Jul 10 15:08:38 2021

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