Calcium in PDB 1wws: Crystal Structure of TTK003001566 From Thermus Thermophilus HB8

The structure of Crystal Structure of TTK003001566 From Thermus Thermophilus HB8, PDB code: 1wws was solved by H.Wang, K.Murayama, T.Terada, M.Shirouzu, S.Kuramitsu, S.Yokoyama, Rikenstructural Genomics/Proteomics Initiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	90.770, 70.580, 97.900, 90.00, 106.60, 90.00
R / Rfree (%)	20.8 / 25.4

The binding sites of Calcium atom in the Crystal Structure of TTK003001566 From Thermus Thermophilus HB8 (pdb code 1wws). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Crystal Structure of TTK003001566 From Thermus Thermophilus HB8, PDB code: 1wws:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in the Crystal Structure of TTK003001566 From Thermus Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of TTK003001566 From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca149 b:12.1 occ:1.00 O A:HOH229 2.7 35.4 1.0 OH A:TYR49 2.9 20.5 1.0 CZ A:TYR49 3.4 20.5 1.0 CE1 A:TYR49 3.7 16.2 1.0 CE2 B:PHE56 3.7 15.7 1.0 CD2 B:PHE56 3.7 14.8 1.0 CZ B:PHE56 3.9 15.8 1.0 CG B:PHE56 4.0 20.8 1.0 CD B:ARG52 4.1 17.7 1.0 CE1 B:PHE56 4.2 13.7 1.0 CD1 B:PHE56 4.2 14.5 1.0 CE2 A:TYR49 4.3 18.1 1.0 NE B:ARG52 4.5 19.4 1.0 CD1 A:TYR49 4.8 21.8 1.0 CB B:PHE56 4.9 18.4 1.0

Calcium binding site 2 out of 6 in the Crystal Structure of TTK003001566 From Thermus Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of TTK003001566 From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca149 b:22.1 occ:1.00 O B:HOH166 2.7 27.8 1.0 O B:HOH153 2.9 19.1 1.0 O B:TYR49 3.1 15.9 1.0 CE1 B:TYR49 3.7 17.3 1.0 CZ B:TYR49 3.9 23.8 1.0 CD1 B:TYR49 4.1 14.3 1.0 OH B:TYR49 4.2 20.3 1.0 C B:TYR49 4.2 23.9 1.0 CE2 B:TYR49 4.4 20.5 1.0 NE A:ARG52 4.6 23.6 1.0 CG B:TYR49 4.6 14.2 1.0 CA B:ASN50 4.6 15.0 1.0 OD1 B:ASN50 4.7 15.6 1.0 CD2 B:TYR49 4.7 23.0 1.0 CD A:ARG52 4.8 16.5 1.0 N B:ASN50 4.9 16.1 1.0

Calcium binding site 3 out of 6 in the Crystal Structure of TTK003001566 From Thermus Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of TTK003001566 From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca149 b:15.4 occ:1.00 O D:HOH193 2.7 31.8 1.0 OH D:TYR49 2.9 20.4 1.0 CZ D:TYR49 3.5 19.8 1.0 CE2 C:PHE56 3.6 20.1 1.0 CD2 C:PHE56 3.8 23.2 1.0 CE1 D:TYR49 3.8 14.7 1.0 CZ C:PHE56 3.9 21.4 1.0 CD C:ARG52 4.1 22.0 1.0 CG C:PHE56 4.2 19.9 1.0 CE1 C:PHE56 4.3 21.9 1.0 CD1 C:PHE56 4.4 17.1 1.0 CE2 D:TYR49 4.5 19.6 1.0 NE C:ARG52 4.6 17.9 1.0 CD1 D:TYR49 4.9 17.2 1.0 CB C:PHE56 5.0 17.7 1.0

Calcium binding site 4 out of 6 in the Crystal Structure of TTK003001566 From Thermus Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of TTK003001566 From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca149 b:11.4 occ:1.00 OH E:TYR49 2.9 17.8 1.0 CZ E:TYR49 3.4 19.4 1.0 CE1 E:TYR49 3.7 21.7 1.0 CE2 F:PHE56 3.8 21.4 1.0 CD2 F:PHE56 3.9 17.1 1.0 CZ F:PHE56 3.9 15.2 1.0 CD F:ARG52 4.1 24.5 1.0 CG F:PHE56 4.1 18.4 1.0 CE1 F:PHE56 4.2 18.7 1.0 CD1 F:PHE56 4.3 15.1 1.0 CE2 E:TYR49 4.3 19.5 1.0 NE F:ARG52 4.5 23.8 1.0 CD1 E:TYR49 4.9 19.8 1.0 CB F:PHE56 4.9 19.6 1.0

Calcium binding site 5 out of 6 in the Crystal Structure of TTK003001566 From Thermus Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of TTK003001566 From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ F:Ca149 b:18.0 occ:1.00 O F:HOH156 3.1 22.6 1.0 O F:TYR49 3.1 19.9 1.0 CE1 F:TYR49 3.7 20.8 1.0 CZ F:TYR49 3.8 18.0 1.0 CD1 F:TYR49 4.1 16.0 1.0 CE2 F:TYR49 4.2 17.4 1.0 OH F:TYR49 4.2 23.9 1.0 C F:TYR49 4.2 16.6 1.0 CG F:TYR49 4.5 18.3 1.0 CD2 F:TYR49 4.5 14.9 1.0 NE E:ARG52 4.5 19.3 1.0 CA F:ASN50 4.7 16.5 1.0 CD E:ARG52 4.7 15.2 1.0 OD1 F:ASN50 4.7 17.6 1.0 N F:ASN50 4.9 17.2 1.0

Calcium binding site 6 out of 6 in the Crystal Structure of TTK003001566 From Thermus Thermophilus HB8


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of TTK003001566 From Thermus Thermophilus HB8 within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca149 b:11.7 occ:1.00 OH G:TYR49 2.9 19.9 1.0 O G:HOH198 2.9 40.7 1.0 CE2 H:PHE56 3.5 25.6 1.0 CZ G:TYR49 3.5 24.0 1.0 O H:HOH198 3.6 32.7 1.0 CD2 H:PHE56 3.6 22.7 1.0 CE1 G:TYR49 3.9 19.5 1.0 CZ H:PHE56 3.9 24.5 1.0 CG H:PHE56 4.1 17.6 1.0 CD H:ARG52 4.2 23.9 1.0 CE1 H:PHE56 4.3 24.8 1.0 CD1 H:PHE56 4.4 15.0 1.0 CE2 G:TYR49 4.4 21.5 1.0 NE H:ARG52 4.6 20.5 1.0 CB H:PHE56 4.9 19.5 1.0 CD1 G:TYR49 5.0 18.0 1.0

H.Wang, K.Murayama, T.Terada, M.Shirouzu, S.Kuramitsu, S.Yokoyama. Crystal Structure of TTK003001566 From Thermus Thermophilus HB8 To Be Published.