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Calcium in PDB 6cwj: Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with 1,3-Acetone Dicarboxylic Acid

Enzymatic activity of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with 1,3-Acetone Dicarboxylic Acid

All present enzymatic activity of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with 1,3-Acetone Dicarboxylic Acid:
3.5.2.15;

Protein crystallography data

The structure of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with 1,3-Acetone Dicarboxylic Acid, PDB code: 6cwj 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) 95.26 / 2.25
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.140, 88.840, 190.510, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 22.4

Calcium Binding Sites:

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

Calcium binding site 1 out of 4 in 6cwj

Go back to Calcium Binding Sites List in 6cwj
Calcium binding site 1 out of 4 in the Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with 1,3-Acetone Dicarboxylic 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 1,3-Acetone Dicarboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca402

b:29.9
occ:0.57
 O A:ALA345 2.4 33.4 1.0
OE2 A:GLU296 2.5 29.0 1.0
O A:GLN348 2.5 30.1 1.0
O A:PRO350 2.5 26.5 1.0
O A:GLY353 2.6 26.6 1.0
CD A:GLU296 3.1 28.9 1.0
CB A:ALA345 3.2 33.0 1.0
O A:GLY349 3.3 36.9 1.0
C A:GLN348 3.4 32.7 1.0
C A:ALA345 3.4 33.9 1.0
C A:PRO350 3.5 32.5 1.0
C A:GLY353 3.6 27.5 1.0
OE1 A:GLU296 3.6 29.1 1.0
C A:GLY349 3.6 39.1 1.0
N A:GLY353 3.9 27.8 1.0
O A:HOH585 3.9 53.7 1.0
CA A:ALA345 3.9 33.4 1.0
CG A:GLU296 4.0 25.1 1.0
N A:GLN348 4.0 33.6 1.0
N A:GLY352 4.2 30.0 1.0
N A:PRO350 4.2 36.0 1.0
CA A:GLY349 4.2 39.9 1.0
N A:GLY349 4.2 37.2 1.0
CA A:GLN348 4.3 32.6 1.0
N A:ASP351 4.3 35.5 1.0
CA A:GLY353 4.3 26.7 1.0
CA A:ASP351 4.4 36.4 1.0
N A:GLY354 4.4 29.3 1.0
CA A:PRO350 4.4 34.0 1.0
N A:GLU346 4.6 35.5 1.0
CA A:GLY354 4.6 31.5 1.0
C A:ASP351 4.7 33.8 1.0
CB A:GLN348 4.7 30.0 1.0
N A:HIS347 4.8 33.8 1.0
C A:GLY352 4.8 25.6 1.0
N A:ALA345 4.9 32.6 1.0
CA A:GLU346 5.0 33.2 1.0
CA A:GLY352 5.0 24.6 1.0

Calcium binding site 2 out of 4 in 6cwj

Go back to Calcium Binding Sites List in 6cwj
Calcium binding site 2 out of 4 in the Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with 1,3-Acetone Dicarboxylic 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 1,3-Acetone Dicarboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca402

b:28.6
occ:0.54
 OE2 B:GLU296 2.4 31.9 1.0
O B:ALA345 2.4 27.6 1.0
O B:GLY353 2.5 30.1 1.0
O B:GLN348 2.5 25.4 1.0
O B:PRO350 2.5 27.6 1.0
CD B:GLU296 3.0 32.2 1.0
CB B:ALA345 3.1 20.8 1.0
O B:GLY349 3.3 34.2 1.0
C B:ALA345 3.4 28.9 1.0
O B:HOH629 3.4 42.9 1.0
C B:GLN348 3.5 25.4 1.0
C B:GLY353 3.5 27.5 1.0
C B:PRO350 3.6 28.3 1.0
OE1 B:GLU296 3.6 32.7 1.0
C B:GLY349 3.7 32.4 1.0
N B:GLY353 3.9 26.4 1.0
CA B:ALA345 3.9 28.2 1.0
CG B:GLU296 3.9 30.4 1.0
N B:GLN348 4.1 29.1 1.0
N B:GLY352 4.1 26.2 1.0
N B:PRO350 4.3 32.7 1.0
CA B:GLY349 4.3 28.7 1.0
N B:GLY349 4.3 26.9 1.0
CA B:GLY353 4.3 25.7 1.0
CA B:GLN348 4.3 28.0 1.0
N B:ASP351 4.3 31.0 1.0
N B:GLY354 4.4 28.5 1.0
CA B:ASP351 4.4 29.6 1.0
O B:HOH561 4.5 26.4 1.0
CA B:GLY354 4.5 27.2 1.0
CA B:PRO350 4.5 30.7 1.0
N B:GLU346 4.6 29.1 1.0
C B:ASP351 4.7 28.2 1.0
O B:HOH626 4.7 44.3 1.0
CB B:GLN348 4.7 24.0 1.0
C B:GLY352 4.7 27.3 1.0
N B:HIS347 4.8 30.9 1.0
N B:ALA345 4.8 25.2 1.0
CA B:GLY352 4.9 28.0 1.0
CA B:GLU346 5.0 29.9 1.0
CB B:GLU296 5.0 26.4 1.0

Calcium binding site 3 out of 4 in 6cwj

Go back to Calcium Binding Sites List in 6cwj
Calcium binding site 3 out of 4 in the Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with 1,3-Acetone Dicarboxylic 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 1,3-Acetone Dicarboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca402

b:34.5
occ:0.69
 O C:GLN348 2.3 32.9 1.0
O C:PRO350 2.5 34.8 1.0
OE2 C:GLU296 2.5 30.9 1.0
O C:ALA345 2.5 28.1 1.0
O C:GLY353 2.7 32.1 1.0
O C:GLY349 3.1 29.3 1.0
C C:GLN348 3.2 32.9 1.0
CD C:GLU296 3.2 31.2 1.0
C C:GLY349 3.4 29.1 1.0
CB C:ALA345 3.4 24.3 1.0
C C:PRO350 3.4 33.1 1.0
C C:ALA345 3.6 25.6 1.0
C C:GLY353 3.6 31.9 1.0
OE1 C:GLU296 3.8 31.0 1.0
N C:GLN348 3.9 30.1 1.0
CA C:GLY349 3.9 28.0 1.0
N C:GLY349 3.9 30.6 1.0
O C:HOH585 3.9 39.5 1.0
N C:PRO350 4.0 32.9 1.0
N C:GLY353 4.0 26.3 1.0
CA C:GLN348 4.1 32.8 1.0
CA C:ALA345 4.1 24.1 1.0
CG C:GLU296 4.2 24.1 1.0
N C:ASP351 4.3 33.0 1.0
CA C:PRO350 4.3 31.7 1.0
N C:GLY352 4.3 29.7 1.0
CA C:GLY353 4.4 27.9 1.0
CA C:ASP351 4.4 33.1 1.0
N C:GLY354 4.4 29.9 1.0
CA C:GLY354 4.5 27.8 1.0
O C:HOH579 4.6 37.6 1.0
CB C:GLN348 4.6 28.4 1.0
N C:HIS347 4.7 26.0 1.0
N C:GLU346 4.7 26.6 1.0
C C:ASP351 4.7 30.3 1.0
C C:HIS347 4.9 29.4 1.0
C C:GLY352 5.0 28.0 1.0

Calcium binding site 4 out of 4 in 6cwj

Go back to Calcium Binding Sites List in 6cwj
Calcium binding site 4 out of 4 in the Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with 1,3-Acetone Dicarboxylic 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 1,3-Acetone Dicarboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca403

b:53.1
occ:0.79
 O D:PRO350 2.4 34.6 1.0
OE2 D:GLU296 2.4 44.7 1.0
O D:GLN348 2.5 35.9 1.0
O D:ALA345 2.5 43.6 1.0
O D:GLY353 2.7 35.1 1.0
CD D:GLU296 3.1 42.1 1.0
O D:GLY349 3.2 33.4 1.0
CB D:ALA345 3.3 36.4 1.0
C D:GLN348 3.4 38.0 1.0
C D:PRO350 3.4 33.5 1.0
C D:ALA345 3.5 40.8 1.0
C D:GLY349 3.6 34.1 1.0
OE1 D:GLU296 3.6 44.0 1.0
C D:GLY353 3.7 33.8 1.0
N D:GLN348 4.0 38.1 1.0
CG D:GLU296 4.0 33.8 1.0
CA D:ALA345 4.0 40.5 1.0
N D:GLY353 4.1 37.6 1.0
N D:PRO350 4.1 35.4 1.0
CA D:GLY349 4.1 34.2 1.0
N D:GLY349 4.2 36.1 1.0
O D:HOH521 4.2 39.3 1.0
CA D:GLN348 4.3 40.1 1.0
N D:ASP351 4.3 35.1 1.0
N D:GLY352 4.3 34.6 1.0
CA D:PRO350 4.3 34.6 1.0
CA D:ASP351 4.4 30.5 1.0
CA D:GLY353 4.5 36.0 1.0
N D:GLY354 4.6 32.6 1.0
CA D:GLY354 4.7 33.9 1.0
N D:GLU346 4.7 39.6 1.0
CB D:GLN348 4.7 40.9 1.0
N D:HIS347 4.7 38.9 1.0
C D:ASP351 4.7 33.0 1.0
N D:ALA345 5.0 38.8 1.0
C D:GLY352 5.0 33.3 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 17:29:30 2024

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