Calcium in PDB 6n2b: The Crystal Structure of Caldicellulosiruptor Kristjanssonii Tapirin C-Terminal Domain

The structure of The Crystal Structure of Caldicellulosiruptor Kristjanssonii Tapirin C-Terminal Domain, PDB code: 6n2b was solved by P.M.Alahuhta, V.V.Lunin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.43 / 2.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.093, 98.317, 196.053, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 25.1

The binding sites of Calcium atom in the The Crystal Structure of Caldicellulosiruptor Kristjanssonii Tapirin C-Terminal Domain (pdb code 6n2b). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The Crystal Structure of Caldicellulosiruptor Kristjanssonii Tapirin C-Terminal Domain, PDB code: 6n2b:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The Crystal Structure of Caldicellulosiruptor Kristjanssonii Tapirin C-Terminal Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Crystal Structure of Caldicellulosiruptor Kristjanssonii Tapirin C-Terminal Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:51.6 occ:1.00 O A:VAL431 2.2 29.0 1.0 OD1 A:ASP429 2.5 18.8 0.6 OE1 A:GLU465 2.5 26.1 1.0 O A:ASP429 2.5 29.8 0.4 O A:ASP429 2.6 30.2 0.6 O A:LEU436 2.7 27.8 1.0 O A:ALA433 2.7 30.3 1.0 OE2 A:GLU465 3.0 19.2 1.0 CD A:GLU465 3.1 25.4 1.0 CG A:ASP429 3.4 27.9 0.6 C A:ASP429 3.4 30.9 0.6 C A:ASP429 3.4 31.1 0.4 C A:VAL431 3.4 27.1 1.0 C A:LEU436 3.7 22.8 1.0 C A:ALA433 3.7 34.0 1.0 N A:ASP429 3.8 31.2 0.6 N A:ASP429 3.8 31.3 0.4 CA A:ASP429 3.9 33.8 0.6 CB A:ASP429 3.9 33.8 0.6 N A:ALA433 4.0 33.8 1.0 C A:GLY432 4.0 41.4 1.0 CA A:ASP429 4.0 33.7 0.4 N A:VAL431 4.2 25.0 1.0 CB A:ASP429 4.2 33.4 0.4 CA A:GLY432 4.3 33.4 1.0 CA A:VAL431 4.3 35.1 1.0 N A:GLY432 4.3 30.8 1.0 C A:PRO430 4.3 37.2 1.0 OD2 A:ASP429 4.4 18.4 0.6 O A:GLY432 4.4 41.1 1.0 N A:PRO430 4.4 38.4 1.0 CA A:ALA433 4.4 35.5 1.0 CA A:GLY437 4.4 24.8 1.0 N A:GLY437 4.5 21.9 1.0 CA A:LEU436 4.6 24.7 1.0 CG A:GLU465 4.6 17.8 1.0 N A:LEU436 4.6 26.2 1.0 N A:THR434 4.6 30.7 1.0 CA A:PRO430 4.7 37.4 1.0 CA A:THR434 4.7 34.3 1.0 CB A:LEU436 4.8 16.7 1.0 O A:PRO430 4.8 39.1 1.0 CB A:VAL431 4.8 37.5 1.0

Calcium binding site 2 out of 2 in the The Crystal Structure of Caldicellulosiruptor Kristjanssonii Tapirin C-Terminal Domain


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Crystal Structure of Caldicellulosiruptor Kristjanssonii Tapirin C-Terminal Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca601 b:50.9 occ:1.00 OD1 B:ASP429 2.2 39.0 1.0 O B:ALA433 2.4 39.1 1.0 O B:VAL431 2.4 33.7 1.0 O B:LEU436 2.5 28.6 1.0 O B:ASP429 2.5 35.3 1.0 OE2 B:GLU465 2.6 25.9 1.0 CD B:GLU465 3.3 28.9 1.0 CG B:ASP429 3.4 42.0 1.0 C B:ALA433 3.4 31.0 1.0 C B:ASP429 3.4 30.7 1.0 OE1 B:GLU465 3.4 21.7 1.0 C B:LEU436 3.5 26.1 1.0 N B:ALA433 3.6 32.5 1.0 C B:VAL431 3.6 30.2 1.0 N B:ASP429 3.9 31.3 1.0 CA B:ASP429 4.0 30.6 1.0 C B:GLY432 4.1 28.9 1.0 CA B:ALA433 4.1 31.9 1.0 N B:LEU436 4.2 28.9 1.0 CB B:ASP429 4.2 43.6 1.0 CA B:LEU436 4.2 28.4 1.0 N B:THR434 4.3 29.9 1.0 OD2 B:ASP429 4.3 32.9 1.0 CA B:GLY432 4.3 33.9 1.0 CA B:THR434 4.4 34.7 1.0 N B:PRO430 4.4 37.7 1.0 N B:GLY432 4.4 31.6 1.0 N B:GLY437 4.4 24.1 1.0 CB B:LEU436 4.4 22.6 1.0 C B:PRO430 4.4 35.7 1.0 N B:VAL431 4.4 25.9 1.0 CA B:GLY437 4.6 30.7 1.0 C B:THR434 4.6 29.8 1.0 CA B:VAL431 4.7 38.3 1.0 CA B:PRO430 4.7 38.8 1.0 O B:THR434 4.7 36.4 1.0 O B:PRO430 4.8 31.7 1.0 CG B:GLU465 4.8 16.4 1.0 CB B:ALA433 4.8 29.1 1.0 O B:GLY432 4.8 34.0 1.0 CG1 B:VAL431 4.9 35.8 1.0 C B:ALA428 5.0 34.1 1.0

L.L.Lee, W.S.Hart, V.V.Lunin, M.Alahuhta, Y.J.Bomble, M.E.Himmel, S.E.Blumer-Schuette, M.W.W.Adams, R.M.Kelly. Comparative Biochemical and Structural Analysis of Novel Cellulose Binding Proteins (Tapirins) From Extremely Thermophiliccaldicellulosiruptorspecies. Appl. Environ. Microbiol. V. 85 2019.
ISSN: ESSN 1098-5336
PubMed: 30478233
DOI: 10.1128/AEM.01983-18