Iron in PDB 6zae: Room Temperature Xfel Isopenicillin N Synthase Structure in Complex with Fe and Acv Under Anaerobic Conditions.

Enzymatic activity of Room Temperature Xfel Isopenicillin N Synthase Structure in Complex with Fe and Acv Under Anaerobic Conditions.

All present enzymatic activity of Room Temperature Xfel Isopenicillin N Synthase Structure in Complex with Fe and Acv Under Anaerobic Conditions.:
1.21.3.1;

Protein crystallography data

The structure of Room Temperature Xfel Isopenicillin N Synthase Structure in Complex with Fe and Acv Under Anaerobic Conditions., PDB code: 6zae 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) 20.16 / 1.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 41.826, 75.938, 101.944, 90, 90, 90
R / Rfree (%) 17.7 / 21.5

Iron Binding Sites:

The binding sites of Iron atom in the Room Temperature Xfel Isopenicillin N Synthase Structure in Complex with Fe and Acv Under Anaerobic Conditions. (pdb code 6zae). 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 Under Anaerobic Conditions., PDB code: 6zae:

Iron binding site 1 out of 1 in 6zae

Go back to Iron Binding Sites List in 6zae
Iron binding site 1 out of 1 in the Room Temperature Xfel Isopenicillin N Synthase Structure in Complex with Fe and Acv Under Anaerobic Conditions.


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 Under Anaerobic Conditions. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe402

b:18.1
occ:1.00
 OD1 A:ASP216 2.0 18.7 1.0
O A:HOH595 2.1 26.8 1.0
NE2 A:HIS214 2.2 16.9 1.0
NE2 A:HIS270 2.2 15.6 1.0
S17 A:ACV403 2.4 18.3 1.0
CG A:ASP216 2.9 19.6 1.0
CD2 A:HIS214 3.1 19.3 1.0
CE1 A:HIS270 3.1 19.7 1.0
HD2 A:HIS214 3.2 23.1 1.0
H333 A:ACV403 3.2 31.6 1.0
HE1 A:HIS270 3.2 23.6 1.0
CE1 A:HIS214 3.2 19.9 1.0
CD2 A:HIS270 3.3 15.8 1.0
OD2 A:ASP216 3.3 20.8 1.0
H161 A:ACV403 3.3 23.2 1.0
C16 A:ACV403 3.4 19.3 1.0
HE1 A:HIS214 3.4 23.9 1.0
HD2 A:HIS270 3.5 19.0 1.0
H371 A:ACV403 3.7 32.3 1.0
H162 A:ACV403 3.7 23.2 1.0
H331 A:ACV403 3.8 31.6 1.0
C33 A:ACV403 4.0 26.3 1.0
HA A:ASP216 4.1 20.0 1.0
H373 A:ACV403 4.1 32.3 1.0
O A:HOH632 4.2 27.7 1.0
ND1 A:HIS270 4.2 18.4 1.0
CG A:HIS214 4.2 17.7 1.0
ND1 A:HIS214 4.3 15.3 1.0
CB A:ASP216 4.3 16.4 1.0
CG A:HIS270 4.3 16.7 1.0
C37 A:ACV403 4.3 26.9 1.0
HE1 A:PHE285 4.4 23.2 1.0
CA A:ASP216 4.6 16.6 1.0
O A:HOH593 4.7 21.2 1.0
HG21 A:THR221 4.7 22.0 1.0
H332 A:ACV403 4.8 31.6 1.0
HB3 A:ASP216 4.8 19.6 1.0
C12 A:ACV403 4.8 18.4 1.0
HD21 A:ASN252 4.8 20.0 1.0
C32 A:ACV403 4.8 24.6 1.0
HNT A:ACV403 4.8 24.3 1.0
HB2 A:ASP216 4.9 19.6 1.0
HG1 A:THR221 4.9 21.9 1.0
N A:ASP216 4.9 17.8 1.0
N29 A:ACV403 4.9 20.2 1.0
HD1 A:HIS270 5.0 22.1 1.0
HNB A:ACV403 5.0 22.2 1.0
C13 A:ACV403 5.0 20.3 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 Under Anaerobic Conditions. To Be Published.
Page generated: Sat Jul 10 15:08:31 2021

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