Iron in PDB 1os7: Crystal Structure of Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5

All present enzymatic activity of Crystal Structure of Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5:
1.14.11.17;

The structure of Crystal Structure of Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5, PDB code: 1os7 was solved by J.R.O'brien, D.J.Schuller, V.S.Yang, B.D.Dillard, W.N.Lanzilotta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.00 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	92.594, 118.855, 118.832, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 27.8

The binding sites of Iron atom in the Crystal Structure of Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5 (pdb code 1os7). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5, PDB code: 1os7:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:61.7 occ:1.00 O1 A:AKG501 1.7 69.3 1.0 OD1 A:ASP101 2.3 39.0 1.0 O5 A:AKG501 2.4 65.3 1.0 NE2 A:HIS255 2.5 27.1 1.0 C1 A:AKG501 2.6 66.8 1.0 NE2 A:HIS99 2.8 39.5 1.0 C2 A:AKG501 2.9 66.1 1.0 CD2 A:HIS255 3.1 26.5 1.0 CG A:ASP101 3.4 40.3 1.0 CD2 A:HIS99 3.4 37.4 1.0 CE1 A:HIS255 3.7 28.2 1.0 OD1 A:ASN95 3.7 42.4 1.0 O2 A:AKG501 3.7 70.0 1.0 OD2 A:ASP101 3.7 44.4 1.0 CE1 A:HIS99 3.9 38.3 1.0 NH1 A:ARG270 3.9 53.0 1.0 C3 A:AKG501 4.3 63.5 1.0 CG A:HIS255 4.4 28.1 1.0 C2 A:TAU401 4.4 50.3 1.0 CG A:ASN95 4.5 43.1 1.0 ND1 A:HIS255 4.6 27.2 1.0 CG A:HIS99 4.7 37.9 1.0 CB A:ASP101 4.7 37.5 1.0 O1 A:TAU401 4.7 51.8 1.0 CZ2 A:TRP248 4.8 48.1 1.0 O2 A:TAU401 4.8 49.8 1.0 CZ A:ARG270 4.9 54.9 1.0 ND1 A:HIS99 4.9 39.4 1.0 S A:TAU401 4.9 49.2 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:96.0 occ:1.00 O1 B:AKG502 2.1 71.4 1.0 OD1 B:ASP101 2.3 46.7 1.0 NE2 B:HIS255 2.5 38.2 1.0 O5 B:AKG502 2.5 68.2 1.0 NE2 B:HIS99 2.6 49.8 1.0 C1 B:AKG502 2.9 69.6 1.0 CD2 B:HIS255 2.9 37.8 1.0 C2 B:AKG502 3.1 69.1 1.0 CE1 B:HIS99 3.3 49.6 1.0 CG B:ASP101 3.5 50.9 1.0 CD2 B:HIS99 3.6 49.5 1.0 CE1 B:HIS255 3.7 36.7 1.0 NH1 B:ARG270 3.8 66.1 1.0 OD1 B:ASN95 3.9 49.1 1.0 O2 B:AKG502 4.0 69.3 1.0 OD2 B:ASP101 4.1 52.1 1.0 CG B:HIS255 4.2 38.1 1.0 O1 B:TAU402 4.2 57.5 1.0 C1 B:TAU402 4.3 54.5 1.0 ND1 B:HIS99 4.4 50.2 1.0 C3 B:AKG502 4.5 68.7 1.0 ND1 B:HIS255 4.5 36.8 1.0 CB B:ASP101 4.6 50.3 1.0 CG B:HIS99 4.6 49.7 1.0 C2 B:TAU402 4.6 55.7 1.0 CG B:ASN95 4.7 50.5 1.0 CA B:ASP101 4.8 52.0 1.0 N B:ASP101 4.8 52.2 1.0 CZ2 B:TRP248 4.9 54.4 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe302 b:49.2 occ:1.00 O1 C:AKG503 1.9 36.9 1.0 OD1 C:ASP101 2.0 29.4 1.0 NE2 C:HIS255 2.3 30.3 1.0 NE2 C:HIS99 2.5 25.2 1.0 O5 C:AKG503 2.5 28.0 1.0 C1 C:AKG503 2.7 33.4 1.0 C2 C:AKG503 3.0 32.2 1.0 CG C:ASP101 3.0 27.9 1.0 CD2 C:HIS255 3.1 27.7 1.0 CD2 C:HIS99 3.2 24.1 1.0 OD2 C:ASP101 3.3 31.0 1.0 CE1 C:HIS255 3.3 29.2 1.0 CE1 C:HIS99 3.6 24.4 1.0 O2 C:AKG503 3.9 40.1 1.0 NH1 C:ARG270 3.9 32.2 1.0 OD1 C:ASN95 4.2 35.4 1.0 CG C:HIS255 4.2 26.7 1.0 ND1 C:HIS255 4.3 26.4 1.0 CB C:ASP101 4.4 28.2 1.0 CG C:HIS99 4.4 25.0 1.0 C3 C:AKG503 4.4 29.8 1.0 C2 C:TAU403 4.5 34.9 1.0 ND1 C:HIS99 4.6 28.0 1.0 CG C:ASN95 4.6 36.5 1.0 O2 C:TAU403 4.7 34.9 1.0 CZ2 C:TRP248 4.8 22.4 1.0 CA C:ASP101 4.8 27.6 1.0 O1 C:TAU403 4.8 33.3 1.0 N C:ASP101 4.9 27.3 1.0 CZ C:ARG270 5.0 32.9 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5 within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe302 b:53.5 occ:1.00 O1 D:AKG504 2.0 35.8 1.0 NE2 D:HIS99 2.3 24.9 1.0 OD1 D:ASP101 2.4 28.4 1.0 NE2 D:HIS255 2.4 25.3 1.0 O5 D:AKG504 2.5 32.9 1.0 C1 D:AKG504 2.8 34.3 1.0 C2 D:AKG504 3.0 33.1 1.0 CD2 D:HIS99 3.2 25.6 1.0 CE1 D:HIS99 3.2 24.5 1.0 CG D:ASP101 3.3 24.4 1.0 CE1 D:HIS255 3.3 25.6 1.0 CD2 D:HIS255 3.3 22.0 1.0 OD2 D:ASP101 3.5 22.0 1.0 O2 D:AKG504 4.0 35.5 1.0 NH1 D:ARG270 4.2 39.3 1.0 OD1 D:ASN95 4.3 29.0 1.0 ND1 D:HIS99 4.3 25.2 1.0 CG D:HIS99 4.4 25.1 1.0 ND1 D:HIS255 4.4 22.2 1.0 CG D:HIS255 4.4 21.1 1.0 C3 D:AKG504 4.5 31.6 1.0 CB D:ASP101 4.6 25.8 1.0 CG D:ASN95 4.6 31.1 1.0 CA D:ASP101 4.9 25.7 1.0

J.R.O'brien, D.J.Schuller, V.S.Yang, B.D.Dillard, W.N.Lanzilotta. Substrate-Induced Conformational Changes in Escherichia Coli Taurine/Alpha-Ketoglutarate Dioxygenase and Insight Into the Oligomeric Structure Biochemistry V. 42 5547 2003.
ISSN: ISSN 0006-2960
PubMed: 12741810
DOI: 10.1021/BI0341096