Iron in PDB 2qed: Crystal Structure of Salmonella Thyphimurium LT2 Glyoxalase II

All present enzymatic activity of Crystal Structure of Salmonella Thyphimurium LT2 Glyoxalase II:
3.1.2.6;

The structure of Crystal Structure of Salmonella Thyphimurium LT2 Glyoxalase II, PDB code: 2qed was solved by N.R.Leite, V.A.Campos Bermudez, R.Krogh, G.Oliva, F.C.Soncini, A.J.Vila, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.40 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.376, 57.176, 53.937, 90.00, 111.94, 90.00
R / Rfree (%)	15.3 / 17.5

The binding sites of Iron atom in the Crystal Structure of Salmonella Thyphimurium LT2 Glyoxalase II (pdb code 2qed). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Salmonella Thyphimurium LT2 Glyoxalase II, PDB code: 2qed:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Salmonella Thyphimurium LT2 Glyoxalase II


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 Salmonella Thyphimurium LT2 Glyoxalase II within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe252 b:7.0 occ:1.00 NE2 A:HIS165 2.1 6.1 1.0 NE2 A:HIS58 2.1 6.8 1.0 OD2 A:ASP127 2.1 6.4 1.0 O A:HOH692 2.1 11.7 1.0 OD2 A:ASP57 2.2 7.3 1.0 O A:HOH606 2.3 19.2 1.0 CG A:ASP127 2.9 5.8 1.0 CD2 A:HIS58 3.0 6.6 1.0 CE1 A:HIS165 3.0 5.6 1.0 CD2 A:HIS165 3.1 6.2 1.0 OD1 A:ASP127 3.1 6.5 1.0 CE1 A:HIS58 3.1 4.9 1.0 CG A:ASP57 3.1 6.2 1.0 FE A:FE253 3.2 6.0 1.0 OD1 A:ASP57 3.4 7.8 1.0 O A:HOH663 3.8 22.3 1.0 O A:HOH607 3.8 23.5 1.0 CG A:HIS58 4.1 6.6 1.0 ND1 A:HIS165 4.2 6.1 1.0 NE2 A:HIS53 4.2 5.1 1.0 ND2 A:ASN12 4.2 6.0 1.0 CG A:HIS165 4.2 5.8 1.0 ND1 A:HIS58 4.2 5.5 1.0 CE1 A:HIS53 4.3 4.3 1.0 O A:HOH574 4.3 27.9 1.0 CB A:ASP127 4.3 7.1 1.0 CB A:ASP57 4.5 5.9 1.0 O A:HOH551 4.7 29.6 1.0 NE2 A:HIS110 4.8 5.6 1.0 CB A:ALA164 4.8 6.2 1.0 ND1 A:HIS55 5.0 6.8 1.0 CB A:HIS55 5.0 6.2 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Salmonella Thyphimurium LT2 Glyoxalase II


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 Salmonella Thyphimurium LT2 Glyoxalase II within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe253 b:6.0 occ:1.00 O A:HOH692 2.0 11.7 1.0 NE2 A:HIS110 2.0 5.6 1.0 NE2 A:HIS53 2.1 5.1 1.0 ND1 A:HIS55 2.1 6.8 1.0 OD2 A:ASP127 2.3 6.4 1.0 O A:HOH607 2.6 23.5 1.0 CD2 A:HIS110 3.0 6.1 1.0 CD2 A:HIS53 3.0 5.0 1.0 CE1 A:HIS110 3.1 6.5 1.0 CE1 A:HIS55 3.1 5.7 1.0 CG A:HIS55 3.1 5.5 1.0 CE1 A:HIS53 3.1 4.3 1.0 FE A:FE252 3.2 7.0 1.0 CG A:ASP127 3.3 5.8 1.0 CB A:HIS55 3.5 6.2 1.0 O A:HOH606 3.7 19.2 1.0 CB A:ASP127 3.7 7.1 1.0 NE2 A:HIS58 3.8 6.8 1.0 CD2 A:HIS58 4.0 6.6 1.0 O A:HOH551 4.1 29.6 1.0 CG A:HIS110 4.1 6.5 1.0 ND1 A:HIS110 4.1 6.2 1.0 NE2 A:HIS55 4.2 6.7 1.0 CG A:HIS53 4.2 5.8 1.0 ND1 A:HIS53 4.2 4.2 1.0 O A:HOH663 4.2 22.3 1.0 CD2 A:HIS55 4.2 6.3 1.0 OD1 A:ASP127 4.3 6.5 1.0 OD1 A:ASP57 4.4 7.8 1.0 CE1 A:HIS58 4.7 4.9 1.0 OD2 A:ASP57 4.8 7.3 1.0 CA A:HIS55 4.9 6.0 1.0

V.A.Campos-Bermudez, N.R.Leite, R.Krog, A.J.Costa-Filho, F.C.Soncini, G.Oliva, A.J.Vila. Biochemical and Structural Characterization of Salmonella Typhimurium Glyoxalase II: New Insights Into Metal Ion Selectivity Biochemistry V. 46 11069 2007.
ISSN: ISSN 0006-2960
PubMed: 17764159
DOI: 10.1021/BI7007245