Chlorine in PDB 4odo: Structure of Slyd From Thermus Thermophilus in Complex with FK506

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

The structure of Structure of Slyd From Thermus Thermophilus in Complex with FK506, PDB code: 4odo 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)	27.81 / 1.60
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	48.710, 50.210, 57.670, 85.74, 68.92, 80.12
R / Rfree (%)	18 / 20.4

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

Magnesium

(Mg)

4 atoms

The binding sites of Chlorine atom in the Structure of Slyd From Thermus Thermophilus in Complex with FK506 (pdb code 4odo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of Slyd From Thermus Thermophilus in Complex with FK506, PDB code: 4odo:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of Slyd 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 From Thermus Thermophilus in Complex with FK506 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:15.5 occ:1.00 N A:LEU30 3.2 11.6 1.0 N A:ALA148 3.2 13.7 1.0 ND2 A:ASN35 3.5 17.3 1.0 CB A:HIS147 3.5 19.6 1.0 CA A:TYR29 3.6 11.4 1.0 CG A:ASN35 3.6 19.4 1.0 CA A:HIS147 3.7 12.7 1.0 C A:TYR29 3.9 14.6 1.0 CB A:ASN35 3.9 16.4 1.0 CB A:TYR29 3.9 13.3 1.0 C A:HIS147 4.0 16.2 1.0 O C:HOH347 4.0 43.4 1.0 CB A:ALA148 4.0 14.5 1.0 CB A:LEU30 4.0 12.7 1.0 OD1 A:ASN35 4.1 21.9 1.0 CA A:LEU30 4.2 12.1 1.0 CA A:ALA148 4.2 15.6 1.0 O A:SER28 4.5 15.7 1.0 O A:LEU30 4.7 13.3 1.0 N A:TYR29 4.8 11.7 1.0 CG A:HIS147 4.8 24.2 1.0 O A:GLY146 4.9 17.5 1.0 C A:LEU30 4.9 13.0 1.0 N A:HIS147 5.0 14.4 1.0

Chlorine binding site 2 out of 3 in the Structure of Slyd 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 From Thermus Thermophilus in Complex with FK506 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:13.4 occ:1.00 O B:HOH421 3.1 39.3 1.0 N B:LEU30 3.2 11.6 1.0 O B:HOH493 3.2 24.9 1.0 N B:ALA148 3.3 12.1 1.0 ND2 B:ASN35 3.5 14.7 1.0 CA B:TYR29 3.6 10.6 1.0 CA B:HIS147 3.6 12.8 1.0 CG B:ASN35 3.7 14.8 1.0 CB B:HIS147 3.8 12.8 1.0 CB B:TYR29 3.8 10.5 1.0 C B:TYR29 3.9 13.1 1.0 C B:HIS147 4.0 12.7 1.0 CB B:ASN35 4.0 14.3 1.0 CD2 B:HIS147 4.1 17.0 1.0 CB B:ALA148 4.1 14.3 1.0 CB B:LEU30 4.1 11.3 1.0 CA B:LEU30 4.2 12.2 1.0 CA B:ALA148 4.3 11.8 1.0 CG B:HIS147 4.3 15.4 1.0 OD1 B:ASN35 4.4 19.7 1.0 O B:SER28 4.5 14.2 1.0 O B:LEU30 4.7 13.1 1.0 O B:HOH386 4.7 25.9 1.0 O B:GLY146 4.7 13.9 1.0 N B:TYR29 4.8 10.7 1.0 O B:ALA148 4.9 13.8 1.0 N B:HIS147 4.9 13.1 1.0 C B:LEU30 5.0 11.8 1.0

Chlorine binding site 3 out of 3 in the Structure of Slyd 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 3 of Structure of Slyd From Thermus Thermophilus in Complex with FK506 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:26.3 occ:1.00 ND2 C:ASN35 2.5 45.5 1.0 N C:ALA148 3.1 21.8 1.0 N C:LEU30 3.2 23.6 1.0 O C:HOH354 3.3 46.3 1.0 CG C:ASN35 3.6 40.2 1.0 CA C:TYR29 3.6 23.3 1.0 CA C:HIS147 3.7 29.7 1.0 C C:TYR29 3.9 23.7 1.0 C C:HIS147 3.9 27.0 1.0 CB C:ALA148 3.9 26.4 1.0 CB C:HIS147 3.9 31.4 1.0 CB C:TYR29 4.0 23.9 1.0 CB C:ASN35 4.1 24.9 1.0 CA C:ALA148 4.1 24.4 1.0 CD2 C:HIS147 4.1 46.0 1.0 CB C:LEU30 4.1 30.4 1.0 CA C:LEU30 4.2 24.2 1.0 CG C:HIS147 4.4 43.5 1.0 O C:SER28 4.4 24.3 1.0 OD1 C:ASN35 4.5 60.5 1.0 O C:ALA148 4.6 26.0 1.0 O C:GLY146 4.8 30.1 1.0 N C:TYR29 4.8 23.3 1.0 O C:LEU30 4.8 26.1 1.0 C C:ALA148 4.9 23.7 1.0 N C:HIS147 4.9 25.4 1.0

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