Iron in PDB 2i9u: Crystal Structure of Guanine Deaminase From C. Acetobutylicum with Bound Guanine in the Active Site

All present enzymatic activity of Crystal Structure of Guanine Deaminase From C. Acetobutylicum with Bound Guanine in the Active Site:
3.5.4.3;

The structure of Crystal Structure of Guanine Deaminase From C. Acetobutylicum with Bound Guanine in the Active Site, PDB code: 2i9u was solved by D.Kumaran, S.K.Burley, S.Swaminathan, New York Sgx Research Center Forstructural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.50 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	87.385, 88.994, 139.596, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 22.4

The binding sites of Iron atom in the Crystal Structure of Guanine Deaminase From C. Acetobutylicum with Bound Guanine in the Active Site (pdb code 2i9u). 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 Guanine Deaminase From C. Acetobutylicum with Bound Guanine in the Active Site, PDB code: 2i9u:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Guanine Deaminase From C. Acetobutylicum with Bound Guanine in the Active Site


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 Guanine Deaminase From C. Acetobutylicum with Bound Guanine in the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:41.8 occ:1.00 NE2 A:HIS73 2.2 26.8 1.0 OD1 A:ASP320 2.3 24.5 1.0 NE2 A:HIS229 2.3 37.9 1.0 NE2 A:HIS75 2.5 18.9 1.0 N2 A:GUN503 2.7 40.3 1.0 C2 A:GUN503 2.9 36.1 1.0 CD2 A:HIS229 3.1 36.8 1.0 CD2 A:HIS75 3.1 18.9 1.0 CE1 A:HIS73 3.2 27.2 1.0 CG A:ASP320 3.2 22.5 1.0 CD2 A:HIS73 3.3 25.9 1.0 N1 A:GUN503 3.3 37.4 1.0 N3 A:GUN503 3.4 37.4 1.0 CE1 A:HIS229 3.5 39.5 1.0 OD2 A:ASP320 3.6 23.3 1.0 CE1 A:HIS75 3.6 20.7 1.0 NE2 A:HIS269 3.7 43.9 1.0 O A:HOH531 4.1 17.2 1.0 C4 A:GUN503 4.2 35.9 1.0 C6 A:GUN503 4.2 33.0 1.0 ND1 A:HIS73 4.3 25.6 1.0 CG A:HIS229 4.3 38.1 1.0 CG A:HIS73 4.4 24.4 1.0 CG A:HIS75 4.4 20.7 1.0 CB A:ASP320 4.4 21.5 1.0 ND1 A:HIS229 4.5 39.0 1.0 CD2 A:HIS269 4.5 45.2 1.0 C5 A:GUN503 4.6 36.5 1.0 CE1 A:HIS269 4.6 45.1 1.0 ND1 A:HIS75 4.6 20.1 1.0 CB A:ALA268 4.8 30.9 1.0 CA A:ASP320 4.9 21.4 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Guanine Deaminase From C. Acetobutylicum with Bound Guanine in the Active Site


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 Guanine Deaminase From C. Acetobutylicum with Bound Guanine in the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe502 b:45.4 occ:0.50 OD1 B:ASP320 2.3 25.9 1.0 NE2 B:HIS73 2.5 26.2 1.0 NE2 B:HIS229 2.6 24.8 1.0 C2 B:GUN504 2.7 34.2 1.0 N2 B:GUN504 2.7 38.5 1.0 NE2 B:HIS75 2.8 27.2 1.0 CG B:ASP320 3.0 25.1 1.0 CD2 B:HIS229 3.0 26.4 1.0 OD2 B:ASP320 3.1 21.8 1.0 N1 B:GUN504 3.1 32.2 1.0 N3 B:GUN504 3.3 32.5 1.0 NE2 B:HIS269 3.3 25.2 1.0 CD2 B:HIS73 3.3 26.0 1.0 CD2 B:HIS75 3.4 25.3 1.0 CE1 B:HIS73 3.5 22.6 1.0 CE1 B:HIS229 3.9 26.1 1.0 O B:HOH510 3.9 20.0 1.0 CE1 B:HIS75 4.0 27.4 1.0 C6 B:GUN504 4.0 30.5 1.0 C4 B:GUN504 4.0 33.2 1.0 CE1 B:HIS269 4.1 26.2 1.0 CB B:ASP320 4.3 21.6 1.0 CD2 B:HIS269 4.3 25.1 1.0 C5 B:GUN504 4.3 33.0 1.0 CG B:HIS229 4.4 28.1 1.0 CG B:HIS73 4.5 22.9 1.0 ND1 B:HIS73 4.5 23.7 1.0 CG B:HIS75 4.7 25.9 1.0 ND1 B:HIS229 4.7 25.5 1.0 O6 B:GUN504 4.8 27.6 1.0 CB B:ALA268 4.9 24.1 1.0 OE1 B:GLU232 4.9 25.7 1.0 ND1 B:HIS75 4.9 27.8 1.0 CA B:ASP320 5.0 20.4 1.0

D.Kumaran, S.K.Burley, S.Swaminathan. Crystal Structure of Guanine Deaminase From C. Acetobutylicum with Bound Guanine in the Active Site To Be Published.