Iron in PDB 7n7v: Crystal Structure of Ttnm, A Fe(II)-Alpha-Ketoglutarate-Dependent Hydroxylase From the Tautomycetin Biosynthesis Pathway in Streptomyces Griseochromogenes at 2 A.

The structure of Crystal Structure of Ttnm, A Fe(II)-Alpha-Ketoglutarate-Dependent Hydroxylase From the Tautomycetin Biosynthesis Pathway in Streptomyces Griseochromogenes at 2 A., PDB code: 7n7v was solved by L.Han, W.Xu, M.Ma, M.D.Miller, B.Shen, G.N.Phillips Jr., Enzyme Discoveryfor Natural Product Biosynthesis (Natpro), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.45 / 1.99
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.57, 84.516, 168.92, 90, 90, 90
R / Rfree (%)	18.7 / 22.3

The structure of Crystal Structure of Ttnm, A Fe(II)-Alpha-Ketoglutarate-Dependent Hydroxylase From the Tautomycetin Biosynthesis Pathway in Streptomyces Griseochromogenes at 2 A. also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Iron atom in the Crystal Structure of Ttnm, A Fe(II)-Alpha-Ketoglutarate-Dependent Hydroxylase From the Tautomycetin Biosynthesis Pathway in Streptomyces Griseochromogenes at 2 A. (pdb code 7n7v). 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 Ttnm, A Fe(II)-Alpha-Ketoglutarate-Dependent Hydroxylase From the Tautomycetin Biosynthesis Pathway in Streptomyces Griseochromogenes at 2 A., PDB code: 7n7v:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Ttnm, A Fe(II)-Alpha-Ketoglutarate-Dependent Hydroxylase From the Tautomycetin Biosynthesis Pathway in Streptomyces Griseochromogenes at 2 A.


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 Ttnm, A Fe(II)-Alpha-Ketoglutarate-Dependent Hydroxylase From the Tautomycetin Biosynthesis Pathway in Streptomyces Griseochromogenes at 2 A. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:44.9 occ:0.29 O A:HOH565 2.0 46.5 1.0 O A:HOH582 2.1 54.1 1.0 NE2 A:HIS264 2.2 42.2 1.0 OD1 A:ASP128 2.2 34.5 1.0 O A:HOH556 2.3 41.0 1.0 NE2 A:HIS126 2.6 39.6 1.0 HE1 A:HIS264 2.7 46.1 1.0 CE1 A:HIS264 2.8 38.3 1.0 CG A:ASP128 3.1 36.5 1.0 OD2 A:ASP128 3.3 39.5 1.0 CD2 A:HIS126 3.4 41.1 1.0 HD2 A:HIS126 3.4 49.5 1.0 CD2 A:HIS264 3.4 38.9 1.0 CE1 A:HIS126 3.6 41.4 1.0 O A:HOH618 3.6 39.6 1.0 HD2 A:HIS264 3.8 46.8 1.0 HH11 A:ARG282 3.8 57.2 1.0 HE1 A:HIS126 3.9 49.8 1.0 ND1 A:HIS264 4.0 39.0 1.0 O A:HOH613 4.3 39.1 1.0 CG A:HIS264 4.4 39.9 1.0 CB A:ASP128 4.5 36.5 1.0 NH1 A:ARG282 4.5 47.6 1.0 CG A:HIS126 4.6 41.4 1.0 HH12 A:ARG282 4.6 57.2 1.0 ND1 A:HIS126 4.7 44.8 1.0 HA A:ASP128 4.7 45.7 1.0 HD2 A:ARG282 4.7 42.0 1.0 HD1 A:HIS264 4.7 46.9 1.0 N A:ASP128 4.8 33.2 1.0 HB2 A:ASP128 4.8 43.9 1.0 HG21 A:VAL133 4.8 42.6 1.0 H A:ASP128 4.9 40.0 1.0 CA A:ASP128 4.9 38.0 1.0 C A:ILE127 5.0 33.3 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Ttnm, A Fe(II)-Alpha-Ketoglutarate-Dependent Hydroxylase From the Tautomycetin Biosynthesis Pathway in Streptomyces Griseochromogenes at 2 A.


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 Ttnm, A Fe(II)-Alpha-Ketoglutarate-Dependent Hydroxylase From the Tautomycetin Biosynthesis Pathway in Streptomyces Griseochromogenes at 2 A. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:45.7 occ:0.32 O B:HOH511 2.1 52.5 1.0 O B:HOH579 2.1 56.3 1.0 NE2 B:HIS264 2.1 44.1 1.0 OD1 B:ASP128 2.1 37.8 1.0 O B:HOH537 2.2 43.6 1.0 NE2 B:HIS126 2.5 45.1 1.0 HE1 B:HIS264 2.6 51.5 1.0 CE1 B:HIS264 2.7 42.8 1.0 CG B:ASP128 3.0 34.6 1.0 OD2 B:ASP128 3.2 35.1 1.0 CD2 B:HIS126 3.3 42.1 1.0 HD2 B:HIS126 3.3 50.7 1.0 CD2 B:HIS264 3.4 44.1 1.0 CE1 B:HIS126 3.5 43.9 1.0 HE1 B:HIS126 3.7 52.8 1.0 HD2 B:HIS264 3.8 53.0 1.0 O B:HOH613 3.9 45.7 1.0 ND1 B:HIS264 3.9 41.6 1.0 HH11 B:ARG282 3.9 62.1 1.0 CG B:HIS264 4.3 44.9 1.0 CB B:ASP128 4.4 36.5 1.0 O B:HOH611 4.5 41.3 1.0 CG B:HIS126 4.5 41.7 1.0 O B:HOH507 4.5 57.3 1.0 ND1 B:HIS126 4.5 45.5 1.0 HA B:ASP128 4.6 45.6 1.0 HD1 B:HIS264 4.6 50.0 1.0 NH1 B:ARG282 4.6 51.7 1.0 HH12 B:ARG282 4.7 62.1 1.0 N B:ASP128 4.7 36.7 1.0 HB2 B:ASP128 4.7 43.9 1.0 CA B:ASP128 4.8 37.9 1.0 H B:ASP128 4.8 44.2 1.0 HD2 B:ARG282 4.9 41.2 1.0 C B:ILE127 4.9 38.5 1.0 O B:ILE127 4.9 41.6 1.0 HG21 B:VAL133 4.9 41.6 1.0

D.Yang, W.Yan, G.Li, L.Han, Y.-C.Lui, M.Ma, S.Meng, G.Xie, W.Xu, M.D.Miller, G.N.Phillips Jr., B.Shen. Structure of Ttnm, A Fe(II)-Alpha-Ketoglutarate-Dependent Hydroxylase From the Tautomycetin Biosynthesis Pathway in Streptomyces Griseochromogenes. To Be Published.