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Iron in PDB 6zam: Fluorine Labeled Ipns S55C in Complex with Fe and Acv Under Anaerobic Conditions.

Enzymatic activity of Fluorine Labeled Ipns S55C in Complex with Fe and Acv Under Anaerobic Conditions.

All present enzymatic activity of Fluorine Labeled Ipns S55C in Complex with Fe and Acv Under Anaerobic Conditions.:
1.21.3.1;

Protein crystallography data

The structure of Fluorine Labeled Ipns S55C in Complex with Fe and Acv Under Anaerobic Conditions., PDB code: 6zam 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) 27.18 / 1.55
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 46.41, 70.81, 100.57, 90, 90, 90
R / Rfree (%) 15.7 / 18

Other elements in 6zam:

The structure of Fluorine Labeled Ipns S55C in Complex with Fe and Acv Under Anaerobic Conditions. also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Fluorine Labeled Ipns S55C in Complex with Fe and Acv Under Anaerobic Conditions. (pdb code 6zam). 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 Fluorine Labeled Ipns S55C in Complex with Fe and Acv Under Anaerobic Conditions., PDB code: 6zam:

Iron binding site 1 out of 1 in 6zam

Go back to Iron Binding Sites List in 6zam
Iron binding site 1 out of 1 in the Fluorine Labeled Ipns S55C 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 Fluorine Labeled Ipns S55C in Complex with Fe and Acv Under Anaerobic Conditions. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe402

b:15.4
occ:1.00
 OD1 A:ASP216 2.0 16.5 1.0
O A:HOH747 2.1 24.0 1.0
NE2 A:HIS214 2.1 16.3 1.0
NE2 A:HIS270 2.2 16.5 1.0
S17 A:ACV405 2.3 18.7 1.0
CG A:ASP216 3.0 14.5 1.0
H372 A:ACV405 3.0 35.3 1.0
CE1 A:HIS270 3.0 15.4 1.0
CD2 A:HIS214 3.1 14.7 1.0
CE1 A:HIS214 3.2 15.2 1.0
HE1 A:HIS270 3.2 18.4 1.0
HD2 A:HIS214 3.2 17.6 1.0
H162 A:ACV405 3.2 26.1 1.0
CD2 A:HIS270 3.2 15.2 1.0
OD2 A:ASP216 3.3 14.6 1.0
C16 A:ACV405 3.4 21.7 1.0
HE1 A:HIS214 3.4 18.3 1.0
HD2 A:HIS270 3.4 18.2 1.0
H332 A:ACV405 3.7 32.2 1.0
H161 A:ACV405 3.7 26.1 1.0
H373 A:ACV405 3.8 35.3 1.0
C37 A:ACV405 3.9 29.4 1.0
HA A:ASP216 4.2 13.1 1.0
ND1 A:HIS270 4.2 13.4 1.0
CG A:HIS214 4.2 13.5 1.0
ND1 A:HIS214 4.2 13.3 1.0
O A:HOH712 4.2 23.6 1.0
H331 A:ACV405 4.3 32.2 1.0
CG A:HIS270 4.3 13.1 1.0
CB A:ASP216 4.3 11.9 1.0
C33 A:ACV405 4.4 26.8 1.0
HE1 A:PHE285 4.4 18.4 1.0
HNT A:ACV405 4.5 24.5 1.0
H371 A:ACV405 4.6 35.3 1.0
CA A:ASP216 4.7 10.9 1.0
C12 A:ACV405 4.7 15.8 1.0
C32 A:ACV405 4.7 28.0 1.0
HG21 A:THR221 4.7 17.4 1.0
N29 A:ACV405 4.7 20.4 1.0
O A:HOH722 4.7 19.4 1.0
HB3 A:ASP216 4.8 14.3 1.0
HD21 A:ASN252 4.8 18.4 1.0
C13 A:ACV405 4.9 20.2 1.0
N A:ASP216 4.9 13.6 1.0
HB2 A:ASP216 4.9 14.3 1.0
HD1 A:HIS270 4.9 16.1 1.0
HG1 A:THR221 5.0 14.2 1.0
HE2 A:PHE211 5.0 22.9 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. Fluorine Labeled Ipns S55C in Complex with Fe and Acv Under Anaerobic Conditions. To Be Published.
Page generated: Wed Aug 7 18:22:40 2024

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