Calcium in PDB 1thm: Crystal Structure of Thermitase at 1.4 Angstroms Resolution

All present enzymatic activity of Crystal Structure of Thermitase at 1.4 Angstroms Resolution:
3.4.21.66;

The structure of Crystal Structure of Thermitase at 1.4 Angstroms Resolution, PDB code: 1thm was solved by A.V.Teplyakov, I.P.Kuranova, E.H.Harutyunyan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	7.00 / 1.37
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.950, 64.050, 47.550, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The structure of Crystal Structure of Thermitase at 1.4 Angstroms Resolution also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Calcium atom in the Crystal Structure of Thermitase at 1.4 Angstroms Resolution (pdb code 1thm). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Thermitase at 1.4 Angstroms Resolution, PDB code: 1thm:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Thermitase at 1.4 Angstroms Resolution


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 Thermitase at 1.4 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:10.7 occ:1.00 O A:VAL82 2.3 11.4 1.0 O A:ILE89 2.4 12.1 1.0 O A:THR87 2.4 11.5 1.0 OD2 A:ASP5 2.4 13.3 1.0 OD1 A:ASP47 2.4 12.3 1.0 OD1 A:ASN85 2.5 12.3 1.0 OD2 A:ASP47 2.6 11.3 1.0 CG A:ASP47 2.9 12.2 1.0 CG A:ASN85 3.5 13.7 1.0 CG A:ASP5 3.5 12.8 1.0 C A:ILE89 3.5 12.1 1.0 C A:VAL82 3.5 10.2 1.0 C A:THR87 3.6 10.9 1.0 N A:ILE89 3.7 10.1 1.0 ND2 A:ASN85 3.8 11.9 1.0 C A:GLY88 4.1 10.3 1.0 CB A:ASP5 4.1 11.2 1.0 CA A:ILE89 4.2 9.3 1.0 CA A:THR83 4.2 9.3 1.0 N A:THR83 4.3 11.1 1.0 CB A:ASP47 4.4 11.6 1.0 CA A:GLY88 4.4 14.3 1.0 N A:GLY88 4.4 12.0 1.0 OD1 A:ASP5 4.4 12.3 1.0 CA A:THR87 4.5 13.0 1.0 N A:THR87 4.5 11.9 1.0 CB A:THR87 4.6 14.5 1.0 N A:ALA90 4.6 10.5 1.0 CA A:VAL82 4.6 11.8 1.0 O A:GLY88 4.7 12.3 1.0 N A:VAL82 4.8 11.1 1.0 N A:ASN85 4.8 11.6 1.0 CB A:ASN85 4.8 10.6 1.0 C A:THR83 4.8 11.2 1.0 CB A:VAL82 4.9 12.9 1.0 N A:ASN84 4.9 11.7 1.0 CA A:ALA90 4.9 9.9 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Thermitase at 1.4 Angstroms Resolution


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 Thermitase at 1.4 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:18.7 occ:1.00 O A:HOH370 2.2 29.8 1.0 O A:HOH353 2.3 27.9 1.0 O A:THR64 2.3 17.3 1.0 OE1 A:GLN66 2.4 23.0 1.0 OD2 A:ASP57 2.4 17.2 1.0 OD1 A:ASP62 2.5 18.9 1.0 OD2 A:ASP62 2.6 26.9 1.0 CG A:ASP62 2.9 18.1 1.0 CD A:GLN66 3.5 27.4 1.0 C A:THR64 3.5 14.5 1.0 CG A:ASP57 3.5 13.4 1.0 CB A:ASP57 3.9 14.6 1.0 NE2 A:GLN66 3.9 26.4 1.0 CB A:THR64 4.1 19.2 1.0 CA A:THR64 4.2 17.7 1.0 O A:HOH478 4.2 47.8 1.0 CB A:ASP60 4.2 25.9 1.0 OD2 A:ASP60 4.4 28.6 1.0 N A:THR64 4.4 15.2 1.0 CB A:ASP62 4.4 16.7 1.0 NH1 A:ARG102 4.5 16.8 1.0 O A:HOH445 4.5 41.4 1.0 N A:PRO65 4.5 13.0 1.0 OD1 A:ASP57 4.6 14.9 1.0 N A:GLN66 4.6 14.1 1.0 CG2 A:THR64 4.6 27.2 1.0 CA A:PRO65 4.7 14.8 1.0 CG A:GLN66 4.8 24.3 1.0 CG A:ASP60 4.9 27.2 1.0 O A:HOH427 5.0 37.6 1.0

A.V.Teplyakov, I.P.Kuranova, E.H.Harutyunyan, B.K.Vainshtein, C.Frommel, W.E.Hohne, K.S.Wilson. Crystal Structure of Thermitase at 1.4 A Resolution. J.Mol.Biol. V. 214 261 1990.
ISSN: ISSN 0022-2836
PubMed: 2196375
DOI: 10.1016/0022-2836(90)90160-N