Calcium in PDB 8qfr: Ergothioneine Dioxygenase From Thermocatellispora Tengchongensis in Complex with Nickel and Substrate (Anaerobic)

The structure of Ergothioneine Dioxygenase From Thermocatellispora Tengchongensis in Complex with Nickel and Substrate (Anaerobic), PDB code: 8qfr was solved by C.M.Vasseur, F.P.Seebeck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.36 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.633, 59.088, 134.446, 90, 90, 90
R / Rfree (%)	17.9 / 22

The structure of Ergothioneine Dioxygenase From Thermocatellispora Tengchongensis in Complex with Nickel and Substrate (Anaerobic) also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Nickel	(Ni)	2 atoms

The binding sites of Calcium atom in the Ergothioneine Dioxygenase From Thermocatellispora Tengchongensis in Complex with Nickel and Substrate (Anaerobic) (pdb code 8qfr). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Ergothioneine Dioxygenase From Thermocatellispora Tengchongensis in Complex with Nickel and Substrate (Anaerobic), PDB code: 8qfr:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Ergothioneine Dioxygenase From Thermocatellispora Tengchongensis in Complex with Nickel and Substrate (Anaerobic)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Ergothioneine Dioxygenase From Thermocatellispora Tengchongensis in Complex with Nickel and Substrate (Anaerobic) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca305 b:60.0 occ:1.00 O A:HOH409 3.1 37.5 1.0 CG1 A:VAL140 3.8 16.3 1.0 CA A:GLY102 3.9 12.8 1.0 O A:HOH473 3.9 26.3 1.0 N A:GLY102 4.1 17.7 1.0 O A:HIS141 4.3 21.5 1.0 CB A:VAL140 4.7 16.3 1.0 C A:ALA101 4.8 16.4 1.0 OE2 A:GLU122 4.9 17.3 1.0 O A:GLY142 4.9 23.0 1.0

Calcium binding site 2 out of 3 in the Ergothioneine Dioxygenase From Thermocatellispora Tengchongensis in Complex with Nickel and Substrate (Anaerobic)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Ergothioneine Dioxygenase From Thermocatellispora Tengchongensis in Complex with Nickel and Substrate (Anaerobic) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca205 b:19.1 occ:1.00 OG B:SER127 3.0 10.1 1.0 CD B:ARG36 3.4 13.4 1.0 CA B:ARG33 3.6 10.1 1.0 NH1 B:ARG36 3.8 23.7 1.0 CB B:ARG33 3.9 11.1 1.0 CB B:SER127 3.9 9.6 1.0 CG B:ARG33 4.1 15.9 1.0 N B:ARG33 4.2 10.1 1.0 CB B:ARG36 4.2 11.9 1.0 O B:ARG32 4.3 9.9 1.0 CG B:ARG36 4.4 11.2 1.0 C B:ARG32 4.5 11.0 1.0 NE B:ARG36 4.5 22.1 1.0 NE B:ARG32 4.5 12.0 1.0 O B:HOH361 4.6 11.6 1.0 NH2 B:ARG32 4.6 11.8 1.0 CZ B:ARG36 4.6 23.1 1.0 CZ B:ARG32 4.8 14.3 1.0 CG B:ARG32 4.8 10.0 1.0 C B:ARG33 4.8 13.2 1.0 O B:ARG33 4.9 11.6 1.0

Calcium binding site 3 out of 3 in the Ergothioneine Dioxygenase From Thermocatellispora Tengchongensis in Complex with Nickel and Substrate (Anaerobic)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Ergothioneine Dioxygenase From Thermocatellispora Tengchongensis in Complex with Nickel and Substrate (Anaerobic) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca206 b:56.8 occ:1.00 CA B:GLU51 4.7 45.0 1.0 O B:GLU51 4.8 52.7 1.0 O B:ALA50 4.8 47.9 1.0

E.Nalivaiko, C.M.Vasseur, F.P.Seebeck. Ergothioneine Dioxygenase From Thermocatellispora Tengchongensis in Complex with Nickel and Substrate (Anaerobic) To Be Published.