Chlorine in PDB 1otj: Crystal Structure of Apo (Iron-Free) Taud

All present enzymatic activity of Crystal Structure of Apo (Iron-Free) Taud:
1.14.11.17;

The structure of Crystal Structure of Apo (Iron-Free) Taud, PDB code: 1otj was solved by J.R.O'brien, D.J.Schuller, V.S.Yang, B.D.Dillard, W.N.Lanzilotta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	95.848, 117.845, 118.262, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 24.9

The binding sites of Chlorine atom in the Crystal Structure of Apo (Iron-Free) Taud (pdb code 1otj). 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 Apo (Iron-Free) Taud, PDB code: 1otj:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Apo (Iron-Free) Taud


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 Apo (Iron-Free) Taud within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl900 b:51.3 occ:1.00 CD2 A:LEU114 3.5 33.2 1.0 NH2 A:ARG266 3.5 31.5 1.0 OG1 A:THR126 3.7 24.2 1.0 NH1 A:ARG266 3.7 30.8 1.0 CB A:ALA257 3.9 22.7 1.0 CZ A:ARG266 4.1 31.6 1.0 CE A:MET268 4.3 31.8 1.0 CG A:MET268 4.3 32.6 1.0 CG2 A:THR126 4.5 24.9 1.0 O A:HOH1139 4.5 37.3 1.0 CG A:LEU114 4.6 32.9 1.0 CD1 A:LEU114 4.7 32.1 1.0 CB A:THR126 4.8 24.9 1.0 CZ2 A:TRP240 4.8 27.1 1.0 CD1 A:LEU85 4.9 41.6 1.0 O A:HOH1000 4.9 26.2 1.0 CB A:MET268 5.0 33.7 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Apo (Iron-Free) Taud


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 Apo (Iron-Free) Taud within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl901 b:50.0 occ:1.00 O B:HOH1064 2.7 51.0 1.0 OG1 B:THR126 3.1 28.1 1.0 NH2 B:ARG266 3.2 29.1 1.0 CD2 B:LEU114 3.4 35.1 1.0 NH1 B:ARG266 3.7 29.6 1.0 CB B:ALA257 3.8 26.0 1.0 CZ B:ARG266 3.9 30.5 1.0 CG2 B:THR126 4.1 27.8 1.0 CB B:THR126 4.2 27.9 1.0 CZ2 B:TRP240 4.3 31.0 1.0 CE B:MET268 4.4 39.3 1.0 CG B:MET268 4.5 37.4 1.0 NE1 B:TRP240 4.6 30.3 1.0 O B:HOH978 4.6 35.4 1.0 CE2 B:TRP240 4.7 31.2 1.0 CG B:LEU114 4.7 33.7 1.0 O B:HOH1063 4.9 37.6 1.0 CD1 B:LEU114 4.9 33.3 1.0 SD B:MET268 5.0 38.4 1.0 CA B:ALA257 5.0 25.9 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Apo (Iron-Free) Taud


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 Apo (Iron-Free) Taud within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl902 b:42.4 occ:1.00 NH2 D:ARG266 3.2 18.4 1.0 OG1 D:THR126 3.3 17.4 1.0 NH1 D:ARG266 3.5 19.8 1.0 CD2 D:LEU114 3.5 24.0 1.0 O D:HOH978 3.8 32.8 1.0 CZ D:ARG266 3.8 21.3 1.0 CB D:ALA257 3.9 16.6 1.0 CG2 D:THR126 4.3 18.0 1.0 CB D:THR126 4.4 16.5 1.0 CZ2 D:TRP240 4.5 20.5 1.0 O D:HOH916 4.5 17.9 1.0 CE D:MET268 4.6 22.0 1.0 CG D:MET268 4.6 22.7 1.0 O D:HOH1102 4.7 29.2 1.0 NE1 D:TRP240 4.8 20.9 1.0 CG D:LEU114 4.8 23.4 1.0 CE2 D:TRP240 4.9 20.4 1.0 O D:HOH1117 4.9 34.7 1.0

J.R.O'brien, D.J.Schuller, V.S.Yang, B.D.Dillard, W.N.Lanzilotta. Substrate-Induced Conformational Changes in Escherichia Coli Taurine/Alpha-Ketoglutarate Dioxygenase and Insight Into the Oligomeric Structure Biochemistry V. 42 5547 2003.
ISSN: ISSN 0006-2960
PubMed: 12741810
DOI: 10.1021/BI0341096