Chlorine in PDB 4odr: Structure of Slyd Delta-if From Thermus Thermophilus in Complex with FK506

All present enzymatic activity of Structure of Slyd Delta-if From Thermus Thermophilus in Complex with FK506:
5.2.1.8;

The structure of Structure of Slyd Delta-if From Thermus Thermophilus in Complex with FK506, PDB code: 4odr was solved by E.M.Quistgaard, C.Low, P.Nordlund, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.48 / 1.93
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	72.500, 72.500, 178.960, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 17

The structure of Structure of Slyd Delta-if From Thermus Thermophilus in Complex with FK506 also contains other interesting chemical elements:

Zinc

(Zn)

3 atoms

The binding sites of Chlorine atom in the Structure of Slyd Delta-if From Thermus Thermophilus in Complex with FK506 (pdb code 4odr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Slyd Delta-if From Thermus Thermophilus in Complex with FK506, PDB code: 4odr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Slyd Delta-if From Thermus Thermophilus in Complex with FK506


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Slyd Delta-if From Thermus Thermophilus in Complex with FK506 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:48.4 occ:1.00 O A:HOH349 2.5 46.5 1.0 OD1 A:ASN35 2.8 29.2 1.0 N A:ALA100 3.1 23.1 1.0 O A:HOH405 3.2 38.8 1.0 O A:HOH336 3.2 44.8 1.0 CB A:HIS99 3.6 28.8 1.0 CA A:TYR29 3.6 24.1 1.0 CB A:ALA100 3.7 26.4 1.0 CA A:HIS99 3.8 25.3 1.0 CG A:ASN35 3.8 31.8 1.0 O A:SER28 3.8 27.6 1.0 N A:LEU30 3.9 26.1 1.0 C A:HIS99 3.9 29.7 1.0 CA A:ALA100 4.0 25.9 1.0 CB A:TYR29 4.2 23.9 1.0 C A:TYR29 4.2 24.3 1.0 O A:ALA100 4.5 27.1 1.0 N A:TYR29 4.6 23.6 1.0 CB A:ASN35 4.6 28.8 1.0 C A:SER28 4.6 33.3 1.0 ND2 A:ASN35 4.6 26.4 1.0 O B:HOH427 4.7 53.8 1.0 C A:ALA100 4.7 29.3 1.0 CG A:HIS99 4.8 33.4 1.0 O B:HOH358 4.9 41.6 1.0 CB A:LEU30 5.0 25.3 1.0

Chlorine binding site 2 out of 2 in the Structure of Slyd Delta-if From Thermus Thermophilus in Complex with FK506


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Slyd Delta-if From Thermus Thermophilus in Complex with FK506 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:53.7 occ:1.00 OD1 B:ASN35 2.8 33.6 1.0 O B:HOH437 2.9 55.1 1.0 O B:HOH434 3.1 48.0 1.0 N B:ALA100 3.1 26.1 1.0 O B:HOH345 3.5 39.0 1.0 CB B:HIS99 3.5 25.3 1.0 CA B:TYR29 3.5 23.1 1.0 CA B:HIS99 3.7 25.7 1.0 CG B:ASN35 3.8 31.3 1.0 O B:SER28 3.8 25.4 1.0 N B:LEU30 3.8 23.5 1.0 C B:HIS99 3.9 28.3 1.0 CB B:ALA100 3.9 25.2 1.0 CB B:TYR29 4.0 22.1 1.0 CA B:ALA100 4.1 25.6 1.0 C B:TYR29 4.2 23.0 1.0 N B:TYR29 4.5 23.4 1.0 C B:SER28 4.6 26.4 1.0 CB B:ASN35 4.6 29.4 1.0 ND2 B:ASN35 4.6 29.3 1.0 O B:HOH363 4.7 43.1 1.0 O B:ALA100 4.7 26.1 1.0 CG B:HIS99 4.8 28.3 1.0 C B:ALA100 4.9 29.8 1.0 CB B:LEU30 5.0 25.9 1.0

E.M.Quistgaard, C.Low, P.Nordlund. Structure of Slyd Delta-if From Thermus Thermophilus in Complex with FK506 To Be Published.