Zinc 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:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc 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 Zinc atom.
In total 3 binding sites of Zinc where determined in the Structure of Slyd Delta-if From Thermus Thermophilus in Complex with FK506, PDB code: 4odr:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Structure of Slyd Delta-if From Thermus Thermophilus in Complex with FK506


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn 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:Zn202 b:28.5 occ:1.00 ND1 A:HIS97 2.0 27.4 1.0 NE2 A:HIS101 2.0 31.4 1.0 NE2 A:HIS99 2.0 29.4 1.0 NE2 B:HIS68 2.1 30.8 1.0 CE1 A:HIS97 2.9 29.1 1.0 CE1 A:HIS101 3.0 29.5 1.0 CD2 A:HIS101 3.0 25.8 1.0 CD2 B:HIS68 3.0 27.9 1.0 CD2 A:HIS99 3.0 24.4 1.0 CE1 A:HIS99 3.0 39.0 1.0 CG A:HIS97 3.0 28.7 1.0 CE1 B:HIS68 3.1 27.9 1.0 CB A:HIS97 3.4 25.5 1.0 O A:HOH384 3.7 46.9 1.0 NE2 A:HIS97 4.0 32.8 1.0 ND1 A:HIS101 4.1 28.1 1.0 CD2 A:HIS97 4.1 28.6 1.0 ND1 A:HIS99 4.1 35.3 1.0 CG A:HIS101 4.1 29.2 1.0 CG A:HIS99 4.2 33.4 1.0 CG B:HIS68 4.2 26.9 1.0 ND1 B:HIS68 4.2 28.1 1.0 O B:PRO69 4.3 27.4 1.0 CD1 B:ILE71 4.7 34.5 1.0 O A:GLU93 4.8 28.0 1.0 O A:HOH407 4.8 53.5 1.0 CA A:HIS97 5.0 28.9 1.0

Zinc binding site 2 out of 3 in the Structure of Slyd Delta-if From Thermus Thermophilus in Complex with FK506


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn 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 A:Zn203 b:71.2 occ:1.00 OD1 A:ASP6 2.0 33.2 1.0 NE2 A:HIS33 2.1 36.6 1.0 OXT A:ACT210 2.4 71.0 1.0 OXT A:ACT209 2.4 71.5 1.0 CE1 A:HIS33 2.7 42.6 1.0 CG A:ASP6 2.8 33.8 1.0 OD2 A:ASP6 3.0 33.8 1.0 NE2 A:GLN5 3.1 37.3 1.0 CD2 A:HIS33 3.3 30.7 1.0 C A:ACT210 3.4 72.3 1.0 C A:ACT209 3.5 68.0 1.0 O A:ACT209 3.7 64.8 1.0 O A:ACT210 3.8 85.2 1.0 ND1 A:HIS33 3.9 39.0 1.0 CD2 A:LEU95 4.1 32.2 1.0 CD A:GLN5 4.2 39.7 1.0 CB A:ASP6 4.2 29.2 1.0 CG A:HIS33 4.2 29.0 1.0 CG A:GLN5 4.5 33.4 1.0 CH3 A:ACT210 4.6 63.3 1.0 CA A:ASP6 4.7 24.4 1.0 CH3 A:ACT209 4.8 55.7 1.0 N A:ASP6 4.9 23.9 1.0 O A:GLY32 5.0 29.2 1.0

Zinc binding site 3 out of 3 in the Structure of Slyd Delta-if From Thermus Thermophilus in Complex with FK506


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 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:Zn202 b:27.1 occ:1.00 NE2 B:HIS101 2.0 28.1 1.0 NE2 B:HIS99 2.0 25.7 1.0 NE2 A:HIS68 2.0 27.6 1.0 ND1 B:HIS97 2.1 29.9 1.0 CD2 B:HIS101 3.0 27.0 1.0 CD2 B:HIS99 3.0 24.3 1.0 CE1 B:HIS97 3.0 29.8 1.0 CE1 B:HIS101 3.0 36.1 1.0 CD2 A:HIS68 3.0 28.0 1.0 CE1 B:HIS99 3.0 35.0 1.0 CE1 A:HIS68 3.0 31.3 1.0 CG B:HIS97 3.1 24.9 1.0 CB B:HIS97 3.4 23.6 1.0 O B:HOH435 3.8 44.2 1.0 ND1 B:HIS101 4.1 23.4 1.0 CG B:HIS101 4.1 25.2 1.0 ND1 B:HIS99 4.1 28.6 1.0 NE2 B:HIS97 4.1 33.8 1.0 ND1 A:HIS68 4.1 29.2 1.0 CG B:HIS99 4.1 28.3 1.0 CG A:HIS68 4.2 27.1 1.0 CD2 B:HIS97 4.2 26.4 1.0 O A:PRO69 4.3 32.0 1.0 CD1 A:ILE71 4.6 33.4 1.0 O B:GLU93 4.7 25.7 1.0 O A:HOH394 4.8 58.0 1.0 CA B:HIS97 4.9 27.5 1.0

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