Iron in PDB 1ui1: Crystal Structure of Uracil-Dna Glycosylase From Thermus Thermophilus HB8

The structure of Crystal Structure of Uracil-Dna Glycosylase From Thermus Thermophilus HB8, PDB code: 1ui1 was solved by J.Hoseki, A.Okamoto, R.Masui, T.Shibata, Y.Inoue, S.Yokoyama, S.Kuramitsu, Riken Structural Genomics/Proteomics Initiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.502, 59.034, 81.404, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 27.6

The binding sites of Iron atom in the Crystal Structure of Uracil-Dna Glycosylase From Thermus Thermophilus HB8 (pdb code 1ui1). 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 Uracil-Dna Glycosylase From Thermus Thermophilus HB8, PDB code: 1ui1:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Uracil-Dna Glycosylase From Thermus Thermophilus HB8


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 Uracil-Dna Glycosylase From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe210 b:6.4 occ:1.00 FE1 A:SF4210 0.0 6.4 1.0 S2 A:SF4210 2.2 3.6 1.0 S3 A:SF4210 2.3 4.4 1.0 S4 A:SF4210 2.3 4.6 1.0 SG A:CYS84 2.3 5.4 1.0 FE4 A:SF4210 2.7 6.4 1.0 FE3 A:SF4210 2.7 4.9 1.0 FE2 A:SF4210 2.7 3.8 1.0 CB A:CYS84 3.3 6.4 1.0 NH1 A:ARG22 3.8 21.3 1.0 N A:CYS84 3.8 6.2 1.0 S1 A:SF4210 3.8 3.2 1.0 CA A:CYS84 4.2 6.8 1.0 CB A:LYS83 4.5 6.3 1.0 C A:LYS83 4.5 6.1 1.0 SG A:CYS16 4.6 5.5 1.0 SG A:CYS13 4.7 7.6 1.0 N A:LYS83 4.7 6.7 1.0 CA A:LYS83 4.8 6.4 1.0 SG A:CYS100 4.8 8.7 1.0 O A:CYS13 4.9 9.4 1.0 CB A:LEU18 5.0 13.9 1.0 CZ A:ARG22 5.0 20.9 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Uracil-Dna Glycosylase From Thermus Thermophilus HB8


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 Uracil-Dna Glycosylase From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe210 b:3.8 occ:1.00 FE2 A:SF4210 0.0 3.8 1.0 S4 A:SF4210 2.2 4.6 1.0 S3 A:SF4210 2.2 4.4 1.0 S1 A:SF4210 2.3 3.2 1.0 SG A:CYS16 2.3 5.5 1.0 FE4 A:SF4210 2.7 6.4 1.0 FE3 A:SF4210 2.7 4.9 1.0 FE1 A:SF4210 2.7 6.4 1.0 CB A:CYS16 3.3 7.8 1.0 N A:CYS16 3.8 8.2 1.0 S2 A:SF4210 3.8 3.6 1.0 CA A:CYS16 4.0 7.5 1.0 O A:CYS16 4.3 8.4 1.0 CB A:LEU18 4.4 13.9 1.0 C A:CYS16 4.4 7.2 1.0 CB A:CYS100 4.4 8.2 1.0 SG A:CYS100 4.6 8.7 1.0 SG A:CYS84 4.7 5.4 1.0 C A:ALA15 4.8 9.6 1.0 CD1 A:LEU18 4.9 12.1 1.0 N A:LEU18 4.9 11.6 1.0 SG A:CYS13 4.9 7.6 1.0 CG A:LEU18 5.0 12.8 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Uracil-Dna Glycosylase From Thermus Thermophilus HB8


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 Uracil-Dna Glycosylase From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe210 b:4.9 occ:1.00 FE3 A:SF4210 0.0 4.9 1.0 S1 A:SF4210 2.2 3.2 1.0 S4 A:SF4210 2.3 4.6 1.0 S2 A:SF4210 2.3 3.6 1.0 SG A:CYS13 2.3 7.6 1.0 FE1 A:SF4210 2.7 6.4 1.0 FE4 A:SF4210 2.7 6.4 1.0 FE2 A:SF4210 2.7 3.8 1.0 CB A:CYS13 3.4 5.6 1.0 S3 A:SF4210 3.8 4.4 1.0 N A:ALA15 3.9 9.0 1.0 NE1 A:TRP104 4.1 8.0 1.0 C A:CYS13 4.1 8.3 1.0 O A:CYS13 4.2 9.4 1.0 CB A:ALA15 4.3 8.4 1.0 N A:THR14 4.4 8.9 1.0 CA A:CYS13 4.4 7.7 1.0 N A:CYS16 4.4 8.2 1.0 CA A:ALA15 4.6 8.6 1.0 NH1 A:ARG22 4.7 21.3 1.0 CD1 A:TRP104 4.8 7.4 1.0 SG A:CYS84 4.8 5.4 1.0 C A:THR14 4.8 9.7 1.0 SG A:CYS16 4.8 5.5 1.0 CA A:THR14 4.8 8.8 1.0 SG A:CYS100 4.9 8.7 1.0 C A:ALA15 5.0 9.6 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Uracil-Dna Glycosylase From Thermus Thermophilus HB8


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 Uracil-Dna Glycosylase From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe210 b:6.4 occ:1.00 FE4 A:SF4210 0.0 6.4 1.0 S2 A:SF4210 2.2 3.6 1.0 S3 A:SF4210 2.3 4.4 1.0 S1 A:SF4210 2.3 3.2 1.0 SG A:CYS100 2.4 8.7 1.0 FE1 A:SF4210 2.7 6.4 1.0 FE2 A:SF4210 2.7 3.8 1.0 FE3 A:SF4210 2.7 4.9 1.0 CB A:CYS100 3.0 8.2 1.0 CA A:CYS100 3.8 8.5 1.0 S4 A:SF4210 3.8 4.6 1.0 N A:LYS83 4.0 6.7 1.0 CD1 A:TRP104 4.1 7.4 1.0 NE1 A:TRP104 4.2 8.0 1.0 CB A:LYS83 4.3 6.3 1.0 SG A:CYS13 4.6 7.6 1.0 CA A:LYS83 4.7 6.4 1.0 N A:CYS100 4.7 9.4 1.0 SG A:CYS16 4.8 5.5 1.0 SG A:CYS84 4.8 5.4 1.0 C A:CYS100 4.8 8.0 1.0 N A:CYS84 4.8 6.2 1.0 CA A:VAL82 4.9 6.5 1.0 CD A:LYS83 5.0 9.2 1.0

J.Hoseki, A.Okamoto, R.Masui, T.Shibata, Y.Inoue, S.Yokoyama, S.Kuramitsu. Crystal Structure of A Family 4 Uracil-Dna Glycosylase From Thermus Thermophilus HB8 J.Mol.Biol. V. 333 515 2003.
ISSN: ISSN 0022-2836
PubMed: 14556741
DOI: 10.1016/J.JMB.2003.08.030