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Calcium in PDB 6bur: Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Barbituric Acid

Enzymatic activity of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Barbituric Acid

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

Protein crystallography data

The structure of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Barbituric Acid, PDB code: 6bur 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) 39.72 / 2.18
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 81.075, 89.121, 199.121, 90.00, 90.00, 90.00
R / Rfree (%) 16.3 / 21.2

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Barbituric Acid (pdb code 6bur). 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 Complexed with Barbituric Acid, PDB code: 6bur:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 6bur

Go back to Calcium Binding Sites List in 6bur
Calcium binding site 1 out of 4 in the Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Barbituric Acid


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 Complexed with Barbituric Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca403

b:37.8
occ:0.78
 OE2 A:GLU301 2.3 44.0 1.0
O A:GLN353 2.4 36.1 1.0
O A:PRO355 2.4 32.3 1.0
O A:GLY358 2.5 38.2 1.0
O A:ALA350 2.5 31.5 1.0
O A:HOH610 2.7 41.0 1.0
O A:GLY354 2.7 41.2 1.0
CD A:GLU301 3.2 43.1 1.0
C A:GLY354 3.3 40.5 1.0
C A:GLN353 3.3 39.0 1.0
C A:PRO355 3.3 36.3 1.0
CB A:ALA350 3.5 31.2 1.0
C A:ALA350 3.6 34.9 1.0
C A:GLY358 3.6 38.9 1.0
OE1 A:GLU301 3.8 39.9 1.0
CA A:GLY354 3.9 38.2 1.0
N A:GLN353 4.0 32.3 1.0
N A:PRO355 4.0 39.4 1.0
N A:GLY354 4.0 36.9 1.0
N A:GLY358 4.1 33.6 1.0
N A:ASP356 4.1 40.0 1.0
CA A:ALA350 4.2 31.7 1.0
CA A:PRO355 4.2 38.7 1.0
CA A:GLN353 4.2 36.9 1.0
N A:GLY357 4.3 34.7 1.0
CG A:GLU301 4.3 40.6 1.0
CA A:ASP356 4.3 38.7 1.0
O A:HOH592 4.3 42.5 1.0
CA A:GLY358 4.4 34.8 1.0
N A:GLY359 4.5 38.6 1.0
CA A:GLY359 4.6 33.5 1.0
C A:ASP356 4.7 35.4 1.0
N A:GLU351 4.7 34.4 1.0
CB A:GLN353 4.7 31.8 1.0
N A:HIS352 4.8 38.6 1.0
C A:GLY357 4.9 34.9 1.0
CD A:PRO355 5.0 42.0 1.0

Calcium binding site 2 out of 4 in 6bur

Go back to Calcium Binding Sites List in 6bur
Calcium binding site 2 out of 4 in the Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Barbituric Acid


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 Complexed with Barbituric Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca402

b:47.5
occ:0.93
 O B:PRO355 2.4 34.2 1.0
OE2 B:GLU301 2.4 41.2 1.0
O B:GLN353 2.5 41.5 1.0
O B:GLY358 2.5 39.8 1.0
O B:ALA350 2.5 38.1 1.0
O B:HOH580 2.8 50.1 1.0
O B:GLY354 3.0 39.9 1.0
CD B:GLU301 3.2 43.1 1.0
C B:PRO355 3.3 42.0 1.0
C B:GLY354 3.3 44.7 1.0
C B:GLN353 3.4 39.6 1.0
CB B:ALA350 3.5 27.6 1.0
C B:GLY358 3.5 40.9 1.0
C B:ALA350 3.6 39.7 1.0
OE1 B:GLU301 3.6 40.1 1.0
N B:PRO355 3.9 49.2 1.0
N B:GLY358 3.9 42.7 1.0
N B:GLN353 4.0 37.5 1.0
CA B:GLY354 4.0 42.6 1.0
N B:ASP356 4.1 42.2 1.0
N B:GLY354 4.1 44.1 1.0
CA B:PRO355 4.1 48.0 1.0
CA B:ALA350 4.2 38.4 1.0
N B:GLY357 4.2 42.9 1.0
O B:HOH556 4.2 41.6 1.0
CA B:GLN353 4.3 34.6 1.0
CA B:ASP356 4.3 42.5 1.0
CA B:GLY358 4.3 36.9 1.0
CG B:GLU301 4.3 40.6 1.0
O B:HOH582 4.4 45.0 1.0
N B:GLY359 4.5 42.0 1.0
C B:ASP356 4.6 43.4 1.0
CA B:GLY359 4.6 40.0 1.0
N B:GLU351 4.7 35.8 1.0
N B:HIS352 4.7 39.3 1.0
CB B:GLN353 4.8 32.4 1.0
C B:GLY357 4.9 41.5 1.0
CD B:PRO355 4.9 48.5 1.0
CA B:GLU351 5.0 34.2 1.0

Calcium binding site 3 out of 4 in 6bur

Go back to Calcium Binding Sites List in 6bur
Calcium binding site 3 out of 4 in the Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Barbituric Acid


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 Complexed with Barbituric Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca402

b:37.6
occ:0.79
 OE2 C:GLU301 2.4 41.0 1.0
O C:PRO355 2.5 37.5 1.0
O C:ALA350 2.5 33.3 1.0
O C:GLY358 2.5 41.5 1.0
O C:GLN353 2.5 40.2 1.0
O C:HOH593 2.6 38.5 1.0
O C:GLY354 2.8 41.1 1.0
CD C:GLU301 3.3 40.5 1.0
C C:PRO355 3.3 38.1 1.0
C C:GLY354 3.3 40.2 1.0
C C:GLN353 3.4 40.8 1.0
CB C:ALA350 3.5 36.7 1.0
C C:ALA350 3.5 36.5 1.0
C C:GLY358 3.6 40.6 1.0
OE1 C:GLU301 3.8 41.0 1.0
N C:GLY358 4.0 34.4 1.0
N C:PRO355 4.0 39.6 1.0
N C:GLN353 4.0 39.3 1.0
CA C:GLY354 4.0 37.8 1.0
N C:ASP356 4.1 38.7 1.0
N C:GLY357 4.1 40.7 1.0
N C:GLY354 4.1 41.8 1.0
CA C:ALA350 4.2 35.8 1.0
CA C:PRO355 4.2 41.3 1.0
CA C:ASP356 4.2 39.6 1.0
O C:HOH543 4.3 37.3 1.0
CA C:GLN353 4.3 41.8 1.0
O C:HOH574 4.3 40.0 1.0
CG C:GLU301 4.4 38.2 1.0
CA C:GLY358 4.4 36.7 1.0
N C:GLY359 4.5 42.5 1.0
C C:ASP356 4.6 42.8 1.0
CA C:GLY359 4.6 37.8 1.0
N C:GLU351 4.6 37.6 1.0
N C:HIS352 4.6 39.5 1.0
C C:GLY357 4.8 33.0 1.0
CB C:GLN353 4.9 40.5 1.0
CA C:GLU351 5.0 35.6 1.0

Calcium binding site 4 out of 4 in 6bur

Go back to Calcium Binding Sites List in 6bur
Calcium binding site 4 out of 4 in the Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Barbituric Acid


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 Complexed with Barbituric Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca402

b:66.1
occ:1.00
 O D:HOH546 2.4 46.0 1.0
O D:PRO355 2.5 48.1 1.0
O D:ALA350 2.6 60.5 1.0
O D:GLY358 2.6 56.1 1.0
OE2 D:GLU301 2.6 55.0 1.0
O D:GLN353 3.0 55.9 1.0
O D:GLY354 3.1 57.4 1.0
CD D:GLU301 3.2 54.0 1.0
C D:PRO355 3.3 48.2 1.0
C D:GLY354 3.5 58.2 1.0
CB D:ALA350 3.5 48.8 1.0
OE1 D:GLU301 3.5 55.0 1.0
C D:GLN353 3.6 60.0 1.0
C D:ALA350 3.6 60.0 1.0
C D:GLY358 3.7 54.4 1.0
N D:GLY358 4.0 46.8 1.0
N D:ASP356 4.0 48.6 1.0
CA D:GLY354 4.1 57.6 1.0
N D:PRO355 4.1 61.3 1.0
N D:GLN353 4.1 66.4 1.0
N D:GLY357 4.1 46.9 1.0
CA D:ASP356 4.1 47.9 1.0
CG D:GLU301 4.2 53.0 1.0
N D:GLY354 4.2 59.4 1.0
CA D:ALA350 4.2 53.4 1.0
CA D:PRO355 4.3 57.1 1.0
CA D:GLY358 4.4 49.2 1.0
CA D:GLN353 4.5 65.8 1.0
C D:ASP356 4.5 52.2 1.0
N D:GLY359 4.6 54.9 1.0
N D:HIS352 4.7 63.6 1.0
N D:GLU351 4.7 61.2 1.0
CA D:GLY359 4.8 51.8 1.0
C D:GLY357 4.9 47.6 1.0

Reference:

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.
Page generated: Mon Jul 15 17:10:10 2024

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