Iron in PDB 1gqw: Taurine/Alpha-Ketoglutarate Dioxygenase From Escherichia Coli

All present enzymatic activity of Taurine/Alpha-Ketoglutarate Dioxygenase From Escherichia Coli:
1.14.11.17;

The structure of Taurine/Alpha-Ketoglutarate Dioxygenase From Escherichia Coli, PDB code: 1gqw was solved by J.M.Elkins, M.J.Ryle, I.J.Clifton, J.C.Dunning-Hotopp, J.S.Lloyd, N.I.Burzlaff, J.E.Baldwin, R.P.Hausinger, P.L.Roach, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.44 / 3.00
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	116.850, 116.850, 201.910, 90.00, 90.00, 120.00
R / Rfree (%)	28.1 / 32

The binding sites of Iron atom in the Taurine/Alpha-Ketoglutarate Dioxygenase From Escherichia Coli (pdb code 1gqw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Taurine/Alpha-Ketoglutarate Dioxygenase From Escherichia Coli, PDB code: 1gqw:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Taurine/Alpha-Ketoglutarate Dioxygenase From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Taurine/Alpha-Ketoglutarate Dioxygenase From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:54.7 occ:1.00 O1 A:AKG352 1.9 56.5 1.0 OD1 A:ASP101 2.1 80.0 1.0 NE2 A:HIS255 2.2 23.1 1.0 NE2 A:HIS99 2.2 40.0 1.0 O5 A:AKG352 2.2 56.5 1.0 C1 A:AKG352 2.8 56.5 1.0 C2 A:AKG352 2.9 56.5 1.0 CE1 A:HIS255 3.1 23.1 1.0 CE1 A:HIS99 3.1 40.0 1.0 CG A:ASP101 3.2 80.0 1.0 CD2 A:HIS255 3.2 23.1 1.0 CD2 A:HIS99 3.2 40.0 1.0 OD2 A:ASP101 3.5 80.0 1.0 O2 A:AKG352 4.0 56.5 1.0 NH1 A:ARG270 4.0 41.2 1.0 OD1 A:ASN95 4.0 52.4 1.0 ND1 A:HIS255 4.2 23.1 1.0 ND1 A:HIS99 4.2 40.0 1.0 CG A:HIS255 4.3 23.1 1.0 CG A:HIS99 4.3 40.0 1.0 C2 A:TAU351 4.3 48.9 1.0 C3 A:AKG352 4.4 30.9 1.0 CG A:ASN95 4.4 52.4 1.0 CB A:ASP101 4.5 80.0 1.0 ND2 A:ASN95 4.6 52.4 1.0 CA A:ASP101 4.8 28.5 1.0 O1 A:TAU351 4.8 48.9 1.0 N A:ASP101 4.9 28.5 1.0 C1 A:TAU351 5.0 48.9 1.0

Iron binding site 2 out of 2 in the Taurine/Alpha-Ketoglutarate Dioxygenase From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Taurine/Alpha-Ketoglutarate Dioxygenase From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:84.6 occ:1.00 O1 B:AKG352 1.9 70.4 1.0 OD1 B:ASP101 2.1 59.8 1.0 NE2 B:HIS255 2.2 48.5 1.0 NE2 B:HIS99 2.2 73.2 1.0 O5 B:AKG352 2.2 70.4 1.0 C1 B:AKG352 2.8 70.4 1.0 C2 B:AKG352 3.0 70.4 1.0 CE1 B:HIS255 3.0 48.5 1.0 CE1 B:HIS99 3.1 73.2 1.0 CG B:ASP101 3.1 59.8 1.0 CD2 B:HIS255 3.2 48.5 1.0 CD2 B:HIS99 3.2 73.2 1.0 OD2 B:ASP101 3.5 59.8 1.0 OD1 B:ASN95 4.0 59.1 1.0 O2 B:AKG352 4.0 70.4 1.0 NH1 B:ARG270 4.0 63.3 1.0 ND1 B:HIS255 4.2 48.5 1.0 ND1 B:HIS99 4.2 73.2 1.0 CG B:HIS255 4.2 48.5 1.0 CG B:HIS99 4.3 73.2 1.0 CG B:ASN95 4.4 59.1 1.0 C3 B:AKG352 4.4 44.4 1.0 CB B:ASP101 4.5 59.8 1.0 C2 B:TAU351 4.5 69.7 1.0 ND2 B:ASN95 4.7 59.1 1.0 O1 B:TAU351 4.8 69.7 1.0 CA B:ASP101 4.8 69.2 1.0 N B:ASP101 4.9 69.2 1.0

J.M.Elkins, M.J.Ryle, I.J.Clifton, J.Dunning Hotopp, J.S.Lloyd, N.I.Burzlaff, J.E.Baldwin, R.P.Hausinger, P.L.Roach. X-Ray Crystal Structure of Escherichia Coli Taurine/Alpha-Ketoglutarate Dioxygenase Complexed to Ferrous Iron and Substrates Biochemistry V. 41 5185 2002.
ISSN: ISSN 0006-2960
PubMed: 11955067
DOI: 10.1021/BI016014E