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Iron in PDB 6zaq: Room Temperature Xfel Isopenicillin N Synthase Structure in Complex with Fe and Ipn After Dioxygen Exposure

Enzymatic activity of Room Temperature Xfel Isopenicillin N Synthase Structure in Complex with Fe and Ipn After Dioxygen Exposure

All present enzymatic activity of Room Temperature Xfel Isopenicillin N Synthase Structure in Complex with Fe and Ipn After Dioxygen Exposure:
1.21.3.1;

Protein crystallography data

The structure of Room Temperature Xfel Isopenicillin N Synthase Structure in Complex with Fe and Ipn After Dioxygen Exposure, PDB code: 6zaq 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) 42.37 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 41.991, 75.552, 102.348, 90, 90, 90
R / Rfree (%) 17.6 / 20.6

Iron Binding Sites:

The binding sites of Iron atom in the Room Temperature Xfel Isopenicillin N Synthase Structure in Complex with Fe and Ipn After Dioxygen Exposure (pdb code 6zaq). 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 Ipn After Dioxygen Exposure, PDB code: 6zaq:

Iron binding site 1 out of 1 in 6zaq

Go back to Iron Binding Sites List in 6zaq
Iron binding site 1 out of 1 in the Room Temperature Xfel Isopenicillin N Synthase Structure in Complex with Fe and Ipn After Dioxygen Exposure


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 Ipn After Dioxygen Exposure within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:29.9
occ:0.50
 NE2 A:HIS214 2.1 24.7 1.0
NE2 A:HIS270 2.2 22.9 1.0
O A:HOH528 2.2 29.3 1.0
OD1 A:ASP216 2.2 20.1 1.0
H333 A:IP1403 2.8 61.2 1.0
S17 A:IP1403 3.0 62.4 1.0
CE1 A:HIS214 3.0 23.6 1.0
CD2 A:HIS270 3.1 19.9 1.0
HE1 A:HIS214 3.1 28.5 1.0
CE1 A:HIS270 3.1 18.9 1.0
CD2 A:HIS214 3.2 21.9 1.0
CG A:ASP216 3.2 19.6 1.0
HD2 A:HIS270 3.3 24.1 1.0
HE1 A:HIS270 3.3 22.9 1.0
HD2 A:HIS214 3.4 26.4 1.0
C33 A:IP1403 3.5 50.9 1.0
OD2 A:ASP216 3.5 20.0 1.0
H331 A:IP1403 3.5 61.2 1.0
H16 A:IP1403 3.7 92.6 1.0
C32 A:IP1403 3.8 58.6 1.0
H373 A:IP1403 3.8 69.6 1.0
O A:HOH592 4.0 30.0 1.0
C16 A:IP1403 4.0 77.0 1.0
ND1 A:HIS214 4.1 23.9 1.0
ND1 A:HIS270 4.2 20.3 1.0
CG A:HIS270 4.2 18.6 1.0
CG A:HIS214 4.2 23.1 1.0
C37 A:IP1403 4.3 57.9 1.0
HA A:ASP216 4.4 20.1 1.0
H332 A:IP1403 4.4 61.2 1.0
CB A:ASP216 4.6 17.8 1.0
HE1 A:PHE285 4.6 22.1 1.0
H11 A:IP1403 4.8 98.4 1.0
CA A:ASP216 4.9 16.6 1.0
HG21 A:THR221 4.9 18.8 1.0
HD1 A:HIS214 4.9 28.8 1.0
H372 A:IP1403 4.9 69.6 1.0
H A:ASP216 4.9 20.4 1.0
N A:ASP216 4.9 16.9 1.0
HD1 A:HIS270 5.0 24.5 1.0
HD21 A:ASN252 5.0 22.1 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 Ipn After Dioxygen Exposure To Be Published.
Page generated: Sat Jul 10 15:08:31 2021

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