Calcium in PDB 6buo: Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica

All present enzymatic activity of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica:
3.5.2.15;

The structure of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica, PDB code: 6buo was solved by K.Shi, H.Aihara, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.95 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	81.450, 88.822, 202.847, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 17.6

The binding sites of Calcium atom in the Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica (pdb code 6buo). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica, PDB code: 6buo:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:26.7 occ:0.63 OE1 A:GLU301 2.4 22.2 1.0 O A:GLN353 2.4 22.1 1.0 O A:PRO355 2.4 20.7 1.0 O A:ALA350 2.4 19.0 1.0 O A:HOH527 2.6 29.5 1.0 O A:GLY358 2.7 22.1 1.0 HB1 A:ALA350 3.0 25.0 1.0 HB3 A:ALA350 3.0 25.0 1.0 O A:GLY354 3.2 24.5 1.0 CD A:GLU301 3.2 24.1 1.0 HO3 A:PDO404 3.3 40.7 1.0 H A:GLN353 3.3 21.9 1.0 H A:GLY358 3.4 27.7 1.0 C A:PRO355 3.4 19.5 1.0 CB A:ALA350 3.4 20.9 1.0 C A:GLN353 3.4 19.2 1.0 C A:ALA350 3.5 25.9 1.0 C A:GLY354 3.6 25.5 1.0 HA A:ASP356 3.6 28.0 1.0 H A:GLY357 3.6 25.8 1.0 C A:GLY358 3.7 24.1 1.0 HG2 A:GLU301 3.8 24.7 1.0 OE2 A:GLU301 3.8 22.8 1.0 N A:GLY358 4.0 23.1 1.0 N A:GLN353 4.0 18.2 1.0 HA2 A:GLY359 4.0 28.4 1.0 CA A:ALA350 4.0 22.6 1.0 HB2 A:GLN353 4.1 22.1 1.0 HA3 A:GLY354 4.1 25.9 1.0 O3 A:PDO404 4.1 33.9 1.0 N A:PRO355 4.1 24.1 1.0 N A:ASP356 4.1 22.2 1.0 CG A:GLU301 4.2 20.6 1.0 N A:GLY357 4.2 21.5 1.0 CA A:GLY354 4.2 21.6 1.0 HB2 A:ALA350 4.2 25.0 1.0 CA A:ASP356 4.2 23.4 1.0 N A:GLY354 4.2 22.1 1.0 CA A:GLN353 4.3 20.6 1.0 H A:HIS352 4.3 25.9 1.0 CA A:PRO355 4.3 22.1 1.0 CA A:GLY358 4.4 23.1 1.0 O A:HOH556 4.5 32.4 1.0 N A:GLY359 4.5 21.4 1.0 HA A:GLU351 4.5 29.1 1.0 N A:GLU351 4.6 19.0 1.0 H31 A:PDO404 4.6 52.7 1.0 C A:ASP356 4.6 22.9 1.0 CA A:GLY359 4.6 23.7 1.0 N A:HIS352 4.6 21.6 1.0 HA A:ALA350 4.7 27.1 1.0 CB A:GLN353 4.7 18.4 1.0 HA A:PRO355 4.7 26.5 1.0 HG3 A:GLU301 4.7 24.7 1.0 C3 A:PDO404 4.8 43.9 1.0 HA3 A:GLY359 4.8 28.4 1.0 H32 A:PDO404 4.8 52.7 1.0 HA3 A:GLY358 4.8 27.7 1.0 H A:ALA350 4.9 22.7 1.0 H A:ASP356 4.9 26.6 1.0 HD2 A:PRO355 4.9 32.9 1.0 C A:GLY357 4.9 22.4 1.0 CA A:GLU351 4.9 24.2 1.0 HB3 A:GLU301 5.0 24.9 1.0

Calcium binding site 2 out of 4 in the Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:27.1 occ:0.59 O B:GLN353 2.4 23.9 1.0 O B:PRO355 2.4 23.8 1.0 O B:ALA350 2.4 21.8 1.0 OE1 B:GLU301 2.5 23.2 1.0 O B:GLY358 2.7 21.7 1.0 O B:HOH543 2.9 30.6 1.0 HB3 B:ALA350 2.9 33.6 1.0 HB1 B:ALA350 3.0 33.6 1.0 O B:GLY354 3.2 25.6 1.0 CD B:GLU301 3.3 25.0 1.0 H B:GLY358 3.3 28.5 1.0 H B:GLN353 3.3 26.8 1.0 C B:PRO355 3.3 25.9 1.0 C B:GLN353 3.4 23.1 1.0 CB B:ALA350 3.4 28.0 1.0 C B:ALA350 3.5 23.0 1.0 C B:GLY354 3.5 26.7 1.0 H B:GLY357 3.6 30.1 1.0 C B:GLY358 3.6 26.1 1.0 HA B:ASP356 3.6 30.2 1.0 HO3 B:PDO405 3.7 51.4 1.0 HG2 B:GLU301 3.9 28.1 1.0 OE2 B:GLU301 3.9 21.9 1.0 N B:GLY358 4.0 23.7 1.0 HA2 B:GLY359 4.0 26.3 1.0 N B:GLN353 4.0 22.4 1.0 CA B:ALA350 4.0 23.4 1.0 HA3 B:GLY354 4.0 33.0 1.0 HB2 B:GLN353 4.0 27.2 1.0 N B:PRO355 4.1 26.1 1.0 N B:ASP356 4.1 24.1 1.0 N B:GLY357 4.1 25.0 1.0 CA B:GLY354 4.2 27.5 1.0 N B:GLY354 4.2 24.3 1.0 HB2 B:ALA350 4.2 33.6 1.0 CA B:ASP356 4.2 25.2 1.0 CG B:GLU301 4.2 23.4 1.0 CA B:GLN353 4.2 23.9 1.0 O3 B:PDO405 4.3 42.8 1.0 CA B:PRO355 4.3 26.1 1.0 H B:HIS352 4.3 24.5 1.0 O B:HOH623 4.4 29.3 1.0 CA B:GLY358 4.4 26.5 1.0 N B:GLY359 4.4 23.6 1.0 HA B:GLU351 4.5 26.1 1.0 N B:GLU351 4.6 19.0 1.0 C B:ASP356 4.6 24.9 1.0 CA B:GLY359 4.6 21.9 1.0 N B:HIS352 4.7 20.4 1.0 CB B:GLN353 4.7 22.7 1.0 HA B:PRO355 4.7 31.4 1.0 HA B:ALA350 4.7 28.0 1.0 HA3 B:GLY359 4.8 26.3 1.0 H32 B:PDO405 4.8 58.8 1.0 HA3 B:GLY358 4.8 31.9 1.0 HG3 B:GLU301 4.8 28.1 1.0 H B:ALA350 4.8 22.6 1.0 H B:ASP356 4.8 28.9 1.0 C B:GLY357 4.9 26.4 1.0 HD2 B:PRO355 4.9 34.5 1.0 CA B:GLU351 4.9 21.7 1.0 H31 B:PDO405 4.9 58.8 1.0 C3 B:PDO405 4.9 49.0 1.0 H B:GLY354 5.0 29.2 1.0

Calcium binding site 3 out of 4 in the Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca402 b:27.4 occ:0.59 OE1 C:GLU301 2.4 21.4 1.0 O C:PRO355 2.4 23.6 1.0 O C:ALA350 2.4 22.6 1.0 O C:GLN353 2.4 23.6 1.0 HO1 C:PDO405 2.7 56.0 1.0 O C:GLY358 2.7 23.2 1.0 HB1 C:ALA350 2.9 26.2 1.0 HB3 C:ALA350 2.9 26.2 1.0 H12 C:PDO405 3.0 75.8 1.0 O1 C:PDO405 3.1 46.6 1.0 O C:GLY354 3.2 23.9 1.0 CD C:GLU301 3.3 23.5 1.0 H C:GLN353 3.3 27.3 1.0 CB C:ALA350 3.3 21.8 1.0 H C:GLY358 3.4 25.2 1.0 C C:PRO355 3.4 24.2 1.0 C C:GLN353 3.4 22.4 1.0 C C:ALA350 3.4 24.4 1.0 C1 C:PDO405 3.5 63.1 1.0 C C:GLY354 3.6 23.9 1.0 H C:GLY357 3.6 27.2 1.0 HA C:ASP356 3.6 29.1 1.0 C C:GLY358 3.7 26.5 1.0 OE2 C:GLU301 3.9 24.1 1.0 HG2 C:GLU301 3.9 26.3 1.0 N C:GLY358 4.0 21.0 1.0 N C:GLN353 4.0 22.8 1.0 CA C:ALA350 4.0 24.5 1.0 HB2 C:GLN353 4.0 29.1 1.0 HA2 C:GLY359 4.1 27.1 1.0 N C:PRO355 4.1 25.5 1.0 H22 C:PDO405 4.1 50.9 1.0 HA3 C:GLY354 4.1 28.0 1.0 N C:ASP356 4.1 24.9 1.0 N C:GLY357 4.1 22.7 1.0 HB2 C:ALA350 4.2 26.2 1.0 CG C:GLU301 4.2 21.9 1.0 CA C:GLY354 4.2 23.3 1.0 CA C:ASP356 4.2 24.2 1.0 N C:GLY354 4.2 23.5 1.0 CA C:GLN353 4.3 24.9 1.0 H11 C:PDO405 4.3 75.8 1.0 CA C:PRO355 4.3 23.3 1.0 O C:HOH566 4.3 29.1 1.0 H C:HIS352 4.3 27.9 1.0 CA C:GLY358 4.4 23.0 1.0 C2 C:PDO405 4.4 42.5 1.0 N C:GLY359 4.5 21.4 1.0 HA C:GLU351 4.5 25.2 1.0 N C:GLU351 4.6 22.1 1.0 C C:ASP356 4.6 20.3 1.0 HA C:ALA350 4.7 29.4 1.0 N C:HIS352 4.7 23.2 1.0 CA C:GLY359 4.7 22.6 1.0 CB C:GLN353 4.7 24.2 1.0 HA C:PRO355 4.7 28.0 1.0 HG3 C:GLU301 4.8 26.3 1.0 HA3 C:GLY359 4.8 27.1 1.0 H C:ALA350 4.8 25.8 1.0 HA3 C:GLY358 4.8 27.6 1.0 H C:ASP356 4.9 29.9 1.0 C C:GLY357 4.9 25.2 1.0 CA C:GLU351 4.9 21.0 1.0 HD2 C:PRO355 4.9 30.7 1.0 HB3 C:GLU301 5.0 25.9 1.0

Calcium binding site 4 out of 4 in the Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca402 b:37.6 occ:0.67 OE1 D:GLU301 2.4 27.8 1.0 O D:GLN353 2.5 33.0 1.0 O D:PRO355 2.5 30.9 1.0 O D:ALA350 2.5 41.6 1.0 O D:GLY358 2.7 31.8 1.0 O D:HOH615 2.8 40.8 1.0 HB3 D:ALA350 2.8 41.5 1.0 HB1 D:ALA350 2.9 41.5 1.0 O D:GLY354 3.2 40.2 1.0 CD D:GLU301 3.3 29.6 1.0 CB D:ALA350 3.3 34.6 1.0 H D:GLN353 3.3 50.0 1.0 C D:PRO355 3.4 31.6 1.0 C D:GLN353 3.4 40.4 1.0 H D:GLY358 3.5 34.6 1.0 C D:ALA350 3.5 42.9 1.0 C D:GLY354 3.6 37.2 1.0 HA D:ASP356 3.6 39.7 1.0 H D:GLY357 3.7 31.4 1.0 C D:GLY358 3.7 32.0 1.0 HG2 D:GLU301 3.8 35.5 1.0 OE2 D:GLU301 3.9 29.8 1.0 N D:GLN353 4.0 41.7 1.0 CA D:ALA350 4.0 42.2 1.0 HA2 D:GLY359 4.1 35.3 1.0 HB2 D:GLN353 4.1 55.8 1.0 N D:PRO355 4.1 39.5 1.0 HA3 D:GLY354 4.1 45.7 1.0 N D:GLY358 4.1 28.8 1.0 N D:ASP356 4.1 33.3 1.0 HB2 D:ALA350 4.1 41.5 1.0 CG D:GLU301 4.1 29.6 1.0 CA D:GLY354 4.2 38.1 1.0 N D:GLY354 4.2 40.7 1.0 N D:GLY357 4.2 26.2 1.0 CA D:GLN353 4.2 44.7 1.0 CA D:ASP356 4.3 33.0 1.0 CA D:PRO355 4.3 36.6 1.0 H D:HIS352 4.4 53.2 1.0 O D:HOH630 4.4 43.6 1.0 O D:HOH557 4.5 40.8 1.0 CA D:GLY358 4.5 31.1 1.0 HA D:GLU351 4.6 41.9 1.0 N D:GLY359 4.6 28.9 1.0 N D:GLU351 4.6 43.5 1.0 C D:ASP356 4.7 29.4 1.0 HA D:ALA350 4.7 50.7 1.0 HA D:PRO355 4.7 43.9 1.0 N D:HIS352 4.7 44.3 1.0 CB D:GLN353 4.7 46.5 1.0 CA D:GLY359 4.7 29.4 1.0 HG3 D:GLU301 4.7 35.5 1.0 H D:ALA350 4.8 47.6 1.0 HA3 D:GLY359 4.8 35.3 1.0 H D:ASP356 4.9 40.0 1.0 HD2 D:PRO355 4.9 47.5 1.0 HA3 D:GLY358 4.9 37.4 1.0 HB3 D:GLU301 4.9 38.3 1.0 CA D:GLU351 5.0 34.9 1.0 N D:ALA350 5.0 39.6 1.0 C D:GLY357 5.0 25.0 1.0

K.Shi, S.Cho, B.Asim, J.L.Seffernick, L.P.Wackett, H.Aihara. Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica To Be Published.