Chlorine 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:

Iron

(Fe)

2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 3 binding sites of Chlorine 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 Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 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 Chlorine with other atoms in the Cl 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:Cl402 b:42.8 occ:1.00 HH12 A:ARG210 2.5 55.2 1.0 H A:SER129 2.5 43.5 1.0 HH22 A:ARG210 2.8 52.1 1.0 HH2 A:TRP284 3.0 41.0 1.0 HA A:ASP128 3.0 45.7 1.0 O A:HOH616 3.2 49.4 1.0 NH1 A:ARG210 3.3 45.9 1.0 N A:SER129 3.3 36.1 1.0 HG21 A:VAL179 3.3 51.7 1.0 O A:HOH573 3.4 39.7 1.0 HB2 A:SER129 3.4 46.2 1.0 HZ2 A:TRP284 3.4 41.7 1.0 NH2 A:ARG210 3.5 43.4 1.0 HG11 A:VAL179 3.6 51.4 1.0 CH2 A:TRP284 3.6 34.0 1.0 HB A:VAL179 3.6 54.9 1.0 OG A:SER129 3.6 39.5 1.0 CZ2 A:TRP284 3.8 34.6 1.0 HG A:SER129 3.8 47.5 1.0 CA A:ASP128 3.8 38.0 1.0 CB A:SER129 3.9 38.4 1.0 CZ A:ARG210 3.9 43.2 1.0 HH11 A:ARG210 3.9 55.2 1.0 C A:ASP128 4.1 37.7 1.0 HE2 A:TYR207 4.1 48.4 1.0 CG2 A:VAL179 4.1 43.0 1.0 CB A:VAL179 4.2 45.6 1.0 HB3 A:ASP128 4.2 43.9 1.0 CA A:SER129 4.2 35.9 1.0 HH21 A:ARG210 4.3 52.1 1.0 O A:ILE127 4.3 39.4 1.0 CG1 A:VAL179 4.3 42.8 1.0 CB A:ASP128 4.4 36.5 1.0 HG23 A:VAL179 4.5 51.7 1.0 HD2 A:TYR207 4.5 49.0 1.0 OD1 A:ASP128 4.6 34.5 1.0 CG A:ASP128 4.7 36.5 1.0 CZ3 A:TRP284 4.7 33.7 1.0 HB3 A:SER129 4.8 46.2 1.0 HA A:SER129 4.8 43.2 1.0 HG12 A:VAL179 4.8 51.4 1.0 HG22 A:VAL179 4.8 51.7 1.0 CE2 A:TYR207 4.9 40.2 1.0 N A:ASP128 4.9 33.2 1.0 HZ3 A:TRP284 5.0 40.5 1.0

Chlorine binding site 2 out of 3 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 Chlorine with other atoms in the Cl 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 A:Cl403 b:57.3 occ:1.00 HE A:ARG210 2.4 51.4 1.0 HH11 A:ARG213 2.6 66.9 1.0 HD3 A:ARG209 2.8 66.3 0.6 HG2 A:ARG209 2.9 65.2 0.6 HD3 A:ARG213 3.0 74.8 1.0 NE A:ARG210 3.2 42.8 1.0 HD3 A:ARG210 3.2 54.9 1.0 NH1 A:ARG213 3.3 55.7 1.0 CD A:ARG209 3.3 55.2 0.6 NE A:ARG209 3.4 70.9 0.6 HB3 A:ARG209 3.4 59.4 0.4 HE A:ARG209 3.5 85.2 0.6 CG A:ARG209 3.5 54.2 0.6 HB3 A:ARG209 3.6 58.5 0.6 HH12 A:ARG213 3.6 66.9 1.0 CD A:ARG210 3.7 45.7 1.0 HG2 A:ARG210 3.8 51.3 1.0 HB2 A:ARG209 3.8 59.4 0.4 CD A:ARG213 3.8 62.3 1.0 HD2 A:ARG213 3.8 74.8 1.0 HH21 A:ARG210 3.9 52.1 1.0 CZ A:ARG209 3.9 70.3 0.6 CB A:ARG209 4.1 49.4 0.4 CB A:ARG209 4.1 48.6 0.6 CZ A:ARG210 4.2 43.2 1.0 CZ A:ARG213 4.3 60.4 1.0 HD2 A:ARG209 4.3 66.3 0.6 HA A:ARG210 4.3 49.0 1.0 CG A:ARG210 4.3 42.6 1.0 HH11 A:ARG209 4.4 89.3 0.6 HD3 A:ARG209 4.4 74.3 0.4 HG3 A:ARG209 4.4 65.2 0.6 HD2 A:ARG209 4.4 74.3 0.4 NH2 A:ARG210 4.4 43.4 1.0 NH1 A:ARG209 4.4 74.3 0.6 OH A:TYR207 4.4 52.3 1.0 NE A:ARG213 4.4 57.4 1.0 HD2 A:ARG210 4.5 54.9 1.0 CZ A:TYR207 4.5 44.4 1.0 NH2 A:ARG209 4.6 68.6 0.6 HE1 A:TYR207 4.6 52.4 1.0 N A:ARG210 4.6 43.9 1.0 C A:ARG209 4.6 46.7 0.6 HH21 A:ARG209 4.6 82.4 0.6 CE1 A:TYR207 4.6 43.5 1.0 C A:ARG209 4.6 46.6 0.4 HH A:TYR207 4.7 62.9 1.0 CD A:ARG209 4.8 61.8 0.4 H A:ARG210 4.8 52.8 1.0 HB2 A:ARG209 4.8 58.5 0.6 O A:ARG209 4.8 48.6 0.6 CA A:ARG210 4.8 40.8 1.0 O A:ARG209 4.9 48.6 0.4 HG3 A:ARG213 5.0 70.1 1.0 HG3 A:ARG210 5.0 51.3 1.0

Chlorine binding site 3 out of 3 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 Chlorine with other atoms in the Cl binding site number 3 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:Cl402 b:40.4 occ:1.00 HH22 B:ARG210 2.5 52.2 1.0 HH12 B:ARG210 2.6 53.1 1.0 H B:SER129 2.6 42.3 1.0 HH2 B:TRP284 2.9 45.4 1.0 HA B:ASP128 3.0 45.6 1.0 O B:HOH614 3.2 40.2 1.0 HZ2 B:TRP284 3.3 42.6 1.0 NH2 B:ARG210 3.3 44.0 1.0 NH1 B:ARG210 3.4 44.1 1.0 HG21 B:VAL179 3.4 56.0 1.0 O B:HOH549 3.4 39.9 1.0 N B:SER129 3.4 35.1 1.0 HB2 B:SER129 3.5 41.4 1.0 CH2 B:TRP284 3.6 37.8 1.0 HB B:VAL179 3.7 53.2 1.0 CZ2 B:TRP284 3.7 35.4 1.0 HG11 B:VAL179 3.7 47.9 1.0 OG B:SER129 3.8 38.3 1.0 CZ B:ARG210 3.8 44.5 1.0 HE2 B:TYR207 3.9 52.2 1.0 CA B:ASP128 3.9 37.9 1.0 HH21 B:ARG210 4.0 52.2 1.0 HG B:SER129 4.0 46.1 1.0 CB B:SER129 4.0 34.4 1.0 HH11 B:ARG210 4.1 53.1 1.0 C B:ASP128 4.2 38.6 1.0 CG2 B:VAL179 4.2 46.6 1.0 HB3 B:ASP128 4.2 43.9 1.0 CB B:VAL179 4.3 44.2 1.0 O B:ILE127 4.3 41.6 1.0 CA B:SER129 4.3 36.5 1.0 CB B:ASP128 4.5 36.5 1.0 CG1 B:VAL179 4.5 39.8 1.0 OD1 B:ASP128 4.5 37.8 1.0 HG23 B:VAL179 4.6 56.0 1.0 CG B:ASP128 4.6 34.6 1.0 HD2 B:TYR207 4.6 57.4 1.0 CE2 B:TYR207 4.7 43.4 1.0 CZ3 B:TRP284 4.8 37.8 1.0 HB3 B:SER129 4.9 41.4 1.0 HG22 B:VAL179 4.9 56.0 1.0 HG12 B:VAL179 5.0 47.9 1.0 HA B:SER129 5.0 44.0 1.0 N B:ASP128 5.0 36.7 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.