Iron in PDB 1a3l: Catalysis of A Disfavored Reaction: An Antibody Exo Diels- Alderase-Tsa-Inhibitor Complex at 1.95 A Resolution

The structure of Catalysis of A Disfavored Reaction: An Antibody Exo Diels- Alderase-Tsa-Inhibitor Complex at 1.95 A Resolution, PDB code: 1a3l was solved by A.Heine, I.A.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.95
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	182.900, 40.500, 67.700, 90.00, 109.00, 90.00
R / Rfree (%)	18.4 / 26.5

The binding sites of Iron atom in the Catalysis of A Disfavored Reaction: An Antibody Exo Diels- Alderase-Tsa-Inhibitor Complex at 1.95 A Resolution (pdb code 1a3l). 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 Catalysis of A Disfavored Reaction: An Antibody Exo Diels- Alderase-Tsa-Inhibitor Complex at 1.95 A Resolution, PDB code: 1a3l:

Iron binding site 1 out of 1 in the Catalysis of A Disfavored Reaction: An Antibody Exo Diels- Alderase-Tsa-Inhibitor Complex at 1.95 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Catalysis of A Disfavored Reaction: An Antibody Exo Diels- Alderase-Tsa-Inhibitor Complex at 1.95 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ L:Fe213 b:12.1 occ:1.00 FE L:CFC213 0.0 12.1 1.0 C2 L:CFC213 2.0 13.4 1.0 C1 L:CFC213 2.0 9.0 1.0 C7 L:CFC213 2.0 16.6 1.0 C8 L:CFC213 2.0 24.1 1.0 C6 L:CFC213 2.0 13.8 1.0 C9 L:CFC213 2.0 22.9 1.0 C3 L:CFC213 2.0 8.9 1.0 C5 L:CFC213 2.0 12.6 1.0 C10 L:CFC213 2.0 14.0 1.0 C4 L:CFC213 2.0 9.1 1.0 C14 L:CFC213 3.1 19.4 1.0 C11 L:CFC213 3.1 11.8 1.0 O1 L:CFC213 3.5 12.0 1.0 O3 L:CFC213 3.8 21.4 1.0 O2 L:CFC213 3.9 21.2 1.0 N1 L:CFC213 4.1 15.6 1.0 CA H:GLY35 4.6 14.9 1.0 OH L:TYR36 4.6 9.3 1.0 C13 L:CFC213 4.7 13.9 1.0 OD1 H:ASP50 4.7 15.5 1.0 CB H:ALA93 4.8 8.1 1.0

A.Heine, E.A.Stura, J.T.Yli-Kauhaluoma, C.Gao, Q.Deng, B.R.Beno, K.N.Houk, K.D.Janda, I.A.Wilson. An Antibody Exo Diels-Alderase Inhibitor Complex at 1.95 Angstrom Resolution. Science V. 279 1934 1998.
ISSN: ISSN 0036-8075
PubMed: 9506943
DOI: 10.1126/SCIENCE.279.5358.1934