Chlorine in PDB 3pvj: Crystal Structure of the Fe(II)/Alpha-Ketoglutarate Dependent Taurine Dioxygenase From Pseudomonas Putida KT2440

All present enzymatic activity of Crystal Structure of the Fe(II)/Alpha-Ketoglutarate Dependent Taurine Dioxygenase From Pseudomonas Putida KT2440:
1.14.11.17;

The structure of Crystal Structure of the Fe(II)/Alpha-Ketoglutarate Dependent Taurine Dioxygenase From Pseudomonas Putida KT2440, PDB code: 3pvj was solved by S.H.Knauer, O.Spiegelhauer, S.Schwarzinger, P.Haenzelmann, H.Dobbek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.57 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	75.249, 105.339, 171.430, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 19.1

The binding sites of Chlorine atom in the Crystal Structure of the Fe(II)/Alpha-Ketoglutarate Dependent Taurine Dioxygenase From Pseudomonas Putida KT2440 (pdb code 3pvj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Fe(II)/Alpha-Ketoglutarate Dependent Taurine Dioxygenase From Pseudomonas Putida KT2440, PDB code: 3pvj:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Fe(II)/Alpha-Ketoglutarate Dependent Taurine Dioxygenase From Pseudomonas Putida KT2440


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 the Fe(II)/Alpha-Ketoglutarate Dependent Taurine Dioxygenase From Pseudomonas Putida KT2440 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl278 b:21.8 occ:1.00 HH22 A:ARG264 2.5 25.7 1.0 HG1 A:THR124 2.5 16.6 1.0 HH12 A:ARG264 2.6 20.5 1.0 OG1 A:THR124 3.1 13.9 1.0 O A:HOH452 3.1 24.7 1.0 O A:HOH451 3.2 19.2 1.0 NH2 A:ARG264 3.3 21.5 1.0 O A:HOH407 3.3 19.7 1.0 NH1 A:ARG264 3.3 17.1 1.0 HE1 A:MET266 3.4 23.3 0.5 HB2 A:ALA255 3.5 24.1 1.0 HD13 A:LEU112 3.6 21.1 1.0 HB1 A:ALA255 3.6 24.1 1.0 HZ2 A:TRP238 3.7 12.6 1.0 CZ A:ARG264 3.8 23.2 1.0 HD11 A:LEU112 3.8 21.1 1.0 HE3 A:MET266 3.8 29.6 0.5 HG21 A:THR124 3.8 18.6 1.0 HG3 A:MET266 3.9 21.7 0.5 HG3 A:MET266 3.9 24.1 0.5 HH21 A:ARG264 4.0 25.7 1.0 CB A:ALA255 4.0 20.1 1.0 HE1 A:TRP238 4.0 15.4 1.0 HH11 A:ARG264 4.0 20.5 1.0 CD1 A:LEU112 4.1 17.6 1.0 CZ2 A:TRP238 4.3 10.6 1.0 HG23 A:THR124 4.3 18.6 1.0 CB A:THR124 4.3 16.3 1.0 CG2 A:THR124 4.3 15.6 1.0 O A:HOH367 4.3 22.5 1.0 CE A:MET266 4.4 19.5 0.5 NE1 A:TRP238 4.4 12.9 1.0 HD22 A:ASN93 4.5 38.3 1.0 HD12 A:LEU112 4.5 21.1 1.0 HB3 A:ALA255 4.5 24.1 1.0 CE2 A:TRP238 4.6 12.8 1.0 O A:HOH356 4.6 18.4 1.0 HB A:THR124 4.6 19.4 1.0 CE A:MET266 4.7 24.7 0.5 HE2 A:MET266 4.7 23.3 0.5 CG A:MET266 4.7 18.2 0.5 CL A:CL279 4.8 24.7 1.0 ND2 A:ASN93 4.8 32.0 1.0 HD21 A:ASN93 4.8 38.3 1.0 CG A:MET266 4.9 20.1 0.5 HE3 A:MET266 4.9 23.3 0.5 SD A:MET266 4.9 18.4 0.5 O A:HOH383 4.9 23.8 1.0 HA A:ALA255 4.9 20.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Fe(II)/Alpha-Ketoglutarate Dependent Taurine Dioxygenase From Pseudomonas Putida KT2440


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 the Fe(II)/Alpha-Ketoglutarate Dependent Taurine Dioxygenase From Pseudomonas Putida KT2440 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl279 b:24.7 occ:1.00 HE A:ARG268 2.4 32.9 1.0 HH11 A:ARG268 2.5 24.0 1.0 HD21 A:ASN93 2.8 38.3 1.0 O A:HOH451 3.1 19.2 1.0 HD11 A:LEU112 3.1 21.1 1.0 O A:HOH452 3.1 24.7 1.0 NE A:ARG268 3.2 27.5 1.0 NH1 A:ARG268 3.2 20.1 1.0 HD21 A:LEU112 3.3 18.5 1.0 HH2 A:TRP246 3.4 22.5 1.0 HE2 A:HIS253 3.4 27.4 1.0 ND2 A:ASN93 3.6 32.0 1.0 CZ A:ARG268 3.7 30.7 1.0 O A:HOH608 3.9 21.6 1.0 HH12 A:ARG268 3.9 24.0 1.0 HD22 A:ASN93 4.0 38.3 1.0 CD1 A:LEU112 4.0 17.6 1.0 HD11 A:LEU83 4.1 24.6 1.0 HD13 A:LEU83 4.1 24.6 1.0 NE2 A:HIS253 4.2 22.9 1.0 CD2 A:LEU112 4.2 15.5 1.0 CH2 A:TRP246 4.2 18.8 1.0 HD12 A:LEU83 4.2 24.6 1.0 OD1 A:ASN93 4.3 32.1 1.0 CG A:ASN93 4.3 34.3 1.0 HD2 A:ARG268 4.3 33.2 1.0 CD1 A:LEU83 4.3 20.6 1.0 CD A:ARG268 4.4 27.8 1.0 HG A:LEU112 4.4 32.0 1.0 HZ2 A:TRP246 4.4 24.1 1.0 CG A:LEU112 4.5 26.8 1.0 HD13 A:LEU112 4.5 21.1 1.0 HD12 A:LEU112 4.6 21.1 1.0 HD22 A:LEU112 4.6 18.5 1.0 HD2 A:HIS253 4.6 16.7 1.0 HG3 A:ARG268 4.6 16.9 1.0 CZ2 A:TRP246 4.7 20.2 1.0 CL A:CL278 4.8 21.8 1.0 CD2 A:HIS253 4.8 14.0 1.0 HD23 A:LEU112 4.8 18.5 1.0 NH2 A:ARG268 5.0 27.4 1.0

S.H.Knauer, O.Hartl-Spiegelhauer, S.Schwarzinger, P.Haenzelmann, H.Dobbek. Biochemical and Structural Characterization of the Fe(II)/Alpha-Ketoglutarate Dependent Taurine Dioxygenase From Pseudomonas Putida KT2440 To Be Published.