Calcium in PDB 3tec: Calcium Binding to Thermitase. Crystallographic Studies of Thermitase at 0, 5 and 100 Mm Calcium

All present enzymatic activity of Calcium Binding to Thermitase. Crystallographic Studies of Thermitase at 0, 5 and 100 Mm Calcium:
3.4.21.66;

The structure of Calcium Binding to Thermitase. Crystallographic Studies of Thermitase at 0, 5 and 100 Mm Calcium, PDB code: 3tec was solved by P.Gros, K.H.Kalk, W.G.J.Hol, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.240, 71.770, 88.990, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / n/a

The binding sites of Calcium atom in the Calcium Binding to Thermitase. Crystallographic Studies of Thermitase at 0, 5 and 100 Mm Calcium (pdb code 3tec). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Calcium Binding to Thermitase. Crystallographic Studies of Thermitase at 0, 5 and 100 Mm Calcium, PDB code: 3tec:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Calcium Binding to Thermitase. Crystallographic Studies of Thermitase at 0, 5 and 100 Mm Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Calcium Binding to Thermitase. Crystallographic Studies of Thermitase at 0, 5 and 100 Mm Calcium within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca343 b:0.5 occ:1.00 O E:VAL82 2.3 15.9 1.0 OD1 E:ASN85 2.3 7.8 1.0 OD2 E:ASP5 2.3 18.5 1.0 O E:THR87 2.4 17.4 1.0 OD2 E:ASP47 2.4 12.3 1.0 O E:ILE89 2.4 15.4 1.0 OD1 E:ASP47 2.6 14.9 1.0 CG E:ASP47 2.8 16.5 1.0 CG E:ASP5 3.3 14.4 1.0 C E:VAL82 3.4 10.5 1.0 CG E:ASN85 3.5 14.9 1.0 C E:THR87 3.5 7.2 1.0 C E:ILE89 3.6 14.6 1.0 N E:ILE89 3.7 13.9 1.0 ND2 E:ASN85 3.8 18.9 1.0 CB E:ASP5 4.1 13.0 1.0 CA E:THR83 4.1 20.1 1.0 C E:GLY88 4.1 17.7 1.0 N E:THR83 4.2 13.1 1.0 CA E:ILE89 4.3 8.2 1.0 OD1 E:ASP5 4.3 16.0 1.0 CB E:ASP47 4.4 6.7 1.0 CB E:THR87 4.4 16.0 1.0 N E:GLY88 4.4 9.2 1.0 CA E:THR87 4.4 15.9 1.0 CA E:GLY88 4.4 13.4 1.0 N E:THR87 4.4 22.7 1.0 CA E:VAL82 4.5 7.1 1.0 C E:THR83 4.7 17.5 1.0 N E:ALA90 4.7 14.1 1.0 CB E:VAL82 4.7 9.8 1.0 CB E:ASN85 4.7 13.8 1.0 N E:ASN85 4.7 10.0 1.0 N E:VAL82 4.8 7.6 1.0 N E:ASN84 4.8 11.6 1.0 O E:GLY88 4.8 13.2 1.0 CB E:ALA81 5.0 9.0 1.0 CA E:ALA90 5.0 13.8 1.0

Calcium binding site 2 out of 3 in the Calcium Binding to Thermitase. Crystallographic Studies of Thermitase at 0, 5 and 100 Mm Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Calcium Binding to Thermitase. Crystallographic Studies of Thermitase at 0, 5 and 100 Mm Calcium within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca344 b:0.5 occ:1.00 OD2 E:ASP57 2.3 12.8 1.0 O E:THR64 2.3 17.2 1.0 OE1 E:GLN66 2.4 23.6 1.0 O E:HOH430 2.4 23.7 1.0 OD2 E:ASP62 2.4 24.1 1.0 OD1 E:ASP60 2.4 24.9 1.0 OD1 E:ASP62 2.7 19.9 1.0 OG1 E:THR64 2.7 30.6 1.0 CG E:ASP62 2.9 22.8 1.0 CG E:ASP57 3.4 10.1 1.0 C E:THR64 3.4 10.3 1.0 CG E:ASP60 3.5 19.5 1.0 CD E:GLN66 3.5 22.8 1.0 CB E:THR64 3.8 24.9 1.0 CB E:ASP57 3.8 12.5 1.0 NE2 E:GLN66 3.8 33.3 1.0 CB E:ASP60 3.8 13.6 1.0 O E:HOH406 3.9 37.8 1.0 CA E:THR64 4.0 16.0 1.0 N E:THR64 4.1 21.2 1.0 CB E:ASP62 4.4 17.6 1.0 OD1 E:ASP57 4.5 17.7 1.0 N E:PRO65 4.5 15.4 1.0 N E:GLN66 4.5 20.3 1.0 NH1 E:ARG102 4.5 22.5 1.0 OD2 E:ASP60 4.6 24.9 1.0 CG E:GLN66 4.8 14.7 1.0 CA E:PRO65 4.8 13.8 1.0 O E:HOH371 5.0 30.7 1.0

Calcium binding site 3 out of 3 in the Calcium Binding to Thermitase. Crystallographic Studies of Thermitase at 0, 5 and 100 Mm Calcium


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Calcium Binding to Thermitase. Crystallographic Studies of Thermitase at 0, 5 and 100 Mm Calcium within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca345 b:0.5 occ:1.00 O E:HOH357 2.3 10.4 1.0 O E:VAL199 2.3 16.0 1.0 O E:HOH359 2.4 16.2 1.0 O E:HOH452 2.4 15.4 1.0 OD1 E:ASP201 2.5 16.3 1.0 OD2 E:ASP201 2.5 16.5 1.0 O E:HOH375 2.5 18.7 1.0 CG E:ASP201 2.8 15.9 1.0 C E:VAL199 3.5 17.9 1.0 O E:ALA178 4.1 13.7 1.0 CB E:ASP201 4.3 12.6 1.0 CA E:VAL199 4.3 18.3 1.0 NH2 E:ARG249 4.5 11.9 1.0 CB E:ALA180 4.5 7.8 1.0 N E:ASP201 4.5 7.2 1.0 N E:VAL200 4.5 13.8 1.0 O E:HOH436 4.6 31.3 1.0 N E:ALA180 4.7 9.5 1.0 O E:ALA173 4.8 12.5 1.0 CA E:ASP201 4.8 4.5 1.0 C E:VAL200 4.9 12.4 1.0 CA E:VAL200 4.9 15.2 1.0 O E:TYR174 4.9 16.5 1.0 CA E:SER176 4.9 23.3 1.0 O E:SER176 4.9 17.2 1.0 O E:HOH382 5.0 26.2 1.0

P.Gros, K.H.Kalk, W.G.Hol. Calcium Binding to Thermitase. Crystallographic Studies of Thermitase at 0, 5, and 100 Mm Calcium. J.Biol.Chem. V. 266 2953 1991.
ISSN: ISSN 0021-9258
PubMed: 1993669