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

Enzymatic activity of 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;

Protein crystallography data

The structure of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica, PDB code: 6bun 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) 81.52 / 1.78
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 81.230, 89.330, 199.420, 90.00, 90.00, 90.00
R / Rfree (%) 14.8 / 17.4

Other elements in 6bun:

The structure of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica (pdb code 6bun). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica, PDB code: 6bun:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 6bun

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Calcium binding site 1 out of 8 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:14.8
occ:1.00
 OE2 A:GLU301 2.3 15.5 1.0
O A:GLN353 2.4 10.7 1.0
O A:ALA350 2.4 13.3 1.0
O A:HOH545 2.4 14.6 1.0
O A:PRO355 2.4 14.1 1.0
O A:GLY358 2.4 14.2 1.0
O A:GLY354 2.8 13.2 1.0
CD A:GLU301 3.3 14.4 1.0
C A:GLY354 3.3 18.1 1.0
C A:PRO355 3.3 14.9 1.0
C A:GLN353 3.4 11.3 1.0
CB A:ALA350 3.4 11.4 1.0
C A:ALA350 3.5 14.5 1.0
C A:GLY358 3.6 15.1 1.0
OE1 A:GLU301 3.8 13.9 1.0
CA A:GLY354 4.0 13.8 1.0
N A:PRO355 4.0 18.0 1.0
N A:GLY358 4.0 13.2 1.0
N A:GLN353 4.0 11.1 1.0
O1 A:PDO406 4.1 31.9 1.0
CA A:ALA350 4.1 12.5 1.0
N A:GLY354 4.1 13.6 1.0
N A:ASP356 4.1 16.0 1.0
CA A:PRO355 4.2 13.5 1.0
O A:HOH650 4.2 21.7 1.0
CA A:ASP356 4.2 13.6 1.0
N A:GLY357 4.3 13.3 1.0
CA A:GLN353 4.3 12.6 1.0
CG A:GLU301 4.4 13.7 1.0
CA A:GLY358 4.4 14.9 1.0
N A:GLY359 4.5 11.8 1.0
N A:GLU351 4.6 12.6 1.0
CA A:GLY359 4.6 11.0 1.0
C A:ASP356 4.7 16.2 1.0
N A:HIS352 4.7 11.5 1.0
CB A:GLN353 4.7 10.4 1.0
C A:GLY357 5.0 14.6 1.0
CA A:GLU351 5.0 11.6 1.0

Calcium binding site 2 out of 8 in 6bun

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Calcium binding site 2 out of 8 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
A:Ca409

b:92.8
occ:1.00
 O A:HOH556 2.3 31.2 1.0
O A:HOH519 2.4 46.6 1.0
O A:GLY109 2.4 52.9 1.0
O A:HOH830 2.5 51.8 1.0
O A:ALA107 2.7 68.9 1.0
O A:HOH603 2.8 31.2 1.0
C A:ALA107 3.4 85.1 1.0
N A:ALA107 3.5 87.1 1.0
CB A:ALA107 3.5 58.9 1.0
C A:GLY109 3.6 36.2 1.0
CA A:ALA107 3.6 79.0 1.0
O A:SER250 3.7 28.1 1.0
O A:THR248 4.0 32.1 1.0
N A:GLY109 4.2 66.8 1.0
CA A:GLY109 4.4 60.9 1.0
N A:PRO108 4.5 99.1 1.0
C A:PRO108 4.5 0.0 1.0
N A:LYS110 4.7 32.9 1.0
CG A:ARG111 4.7 25.7 1.0
C A:ALA106 4.7 68.3 1.0
C A:THR248 4.7 23.4 1.0
C A:SER250 4.9 28.9 1.0
CA A:LYS110 4.9 26.6 1.0
O A:PRO108 4.9 96.5 1.0
CA A:THR248 5.0 30.2 1.0

Calcium binding site 3 out of 8 in 6bun

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Calcium binding site 3 out of 8 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
B:Ca402

b:21.6
occ:1.00
 O B:GLN353 2.4 13.3 1.0
O B:PRO355 2.4 15.1 1.0
O B:ALA350 2.4 15.6 1.0
OE2 B:GLU301 2.5 14.0 1.0
O B:HOH695 2.5 24.5 1.0
O B:GLY358 2.5 19.5 1.0
O B:GLY354 2.9 14.9 1.0
C B:PRO355 3.3 17.1 1.0
C B:GLN353 3.3 15.8 1.0
CD B:GLU301 3.4 19.1 1.0
C B:GLY354 3.4 22.2 1.0
CB B:ALA350 3.4 11.6 1.0
C B:ALA350 3.5 14.4 1.0
C B:GLY358 3.6 22.7 1.0
N B:PRO355 3.9 18.0 1.0
OE1 B:GLU301 4.0 18.2 1.0
N B:GLY358 4.0 13.6 1.0
N B:GLN353 4.0 12.6 1.0
CA B:GLY354 4.1 18.0 1.0
CA B:ALA350 4.1 11.6 1.0
N B:GLY354 4.1 15.8 1.0
N B:ASP356 4.1 14.9 1.0
CA B:PRO355 4.2 15.0 1.0
N B:GLY357 4.2 16.9 1.0
CA B:GLN353 4.2 16.2 1.0
O B:HOH675 4.3 30.6 1.0
O B:HOH641 4.3 29.2 1.0
CG B:GLU301 4.3 14.1 1.0
CA B:ASP356 4.3 14.9 1.0
CA B:GLY358 4.4 12.2 1.0
N B:GLY359 4.4 15.8 1.0
CA B:GLY359 4.6 12.5 1.0
N B:GLU351 4.6 14.4 1.0
C B:ASP356 4.7 15.8 1.0
CB B:GLN353 4.7 16.8 1.0
N B:HIS352 4.7 13.4 1.0
C B:GLY357 5.0 16.4 1.0
CD B:PRO355 5.0 22.3 1.0
CA B:GLU351 5.0 12.8 1.0

Calcium binding site 4 out of 8 in 6bun

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Calcium binding site 4 out of 8 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
B:Ca403

b:14.9
occ:0.66
 O C:HOH697 2.3 21.3 1.0
O B:HOH738 2.4 27.2 1.0
O B:HOH782 2.4 28.7 1.0
O A:HOH666 2.4 17.3 1.0
OE2 B:GLU168 2.4 32.1 1.0
OE1 B:GLU168 2.5 23.8 1.0
O B:HOH757 2.6 21.4 1.0
CD B:GLU168 2.8 30.2 1.0
O C:HOH508 4.3 16.4 1.0
CG B:GLU168 4.3 29.0 1.0
O C:HOH502 4.4 26.6 1.0
O C:HOH762 4.5 33.5 1.0
CD C:ARG312 4.5 12.8 1.0
CB B:THR166 4.5 28.9 1.0
OD2 C:ASP317 4.5 50.4 1.0
O B:HOH785 4.6 21.9 1.0
O A:HOH607 4.6 13.4 1.0
O A:HOH874 4.7 21.7 1.0
O C:HOH748 4.7 50.1 1.0
N B:ALA167 4.8 21.6 1.0
O A:ALA12 4.8 13.8 1.0
O B:HOH548 4.8 26.9 1.0
NH2 C:ARG312 4.8 11.9 1.0
N B:GLU168 4.9 22.9 1.0
CB B:ALA167 4.9 24.5 1.0
CG2 B:THR166 5.0 19.1 1.0

Calcium binding site 5 out of 8 in 6bun

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Calcium binding site 5 out of 8 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 5 of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca402

b:21.1
occ:1.00
 O C:PRO355 2.4 14.8 1.0
O C:GLN353 2.4 14.5 1.0
OE2 C:GLU301 2.4 19.2 1.0
O C:HOH705 2.5 18.6 1.0
O C:ALA350 2.5 17.3 1.0
O C:GLY358 2.6 16.9 1.0
O C:GLY354 2.8 17.5 1.0
C C:PRO355 3.3 17.6 1.0
CD C:GLU301 3.3 19.0 1.0
C C:GLN353 3.4 17.5 1.0
C C:GLY354 3.4 26.4 1.0
CB C:ALA350 3.5 13.3 1.0
C C:ALA350 3.6 18.9 1.0
C C:GLY358 3.6 14.9 1.0
OE1 C:GLU301 3.9 17.2 1.0
N C:GLN353 3.9 17.5 1.0
N C:PRO355 4.0 21.0 1.0
N C:GLY358 4.0 16.9 1.0
N C:ASP356 4.0 15.0 1.0
CA C:GLY354 4.1 18.7 1.0
N C:GLY354 4.1 17.2 1.0
CA C:ASP356 4.2 17.5 1.0
CA C:ALA350 4.2 13.8 1.0
O C:HOH611 4.2 26.2 1.0
CA C:PRO355 4.2 20.7 1.0
CA C:GLN353 4.2 17.3 1.0
N C:GLY357 4.2 15.9 1.0
O C:HOH636 4.3 23.9 1.0
CG C:GLU301 4.4 18.2 1.0
CA C:GLY358 4.4 14.2 1.0
N C:GLY359 4.5 14.9 1.0
C C:ASP356 4.6 16.9 1.0
N C:HIS352 4.6 15.1 1.0
N C:GLU351 4.6 16.4 1.0
CA C:GLY359 4.7 15.0 1.0
CB C:GLN353 4.7 16.6 1.0
CA C:GLU351 4.9 14.2 1.0
C C:GLY357 5.0 16.3 1.0
C C:HIS352 5.0 18.2 1.0

Calcium binding site 6 out of 8 in 6bun

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Calcium binding site 6 out of 8 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 6 of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca407

b:78.3
occ:1.00
 O C:ALA107 2.3 52.9 1.0
O C:GLY109 2.3 53.5 1.0
O C:HOH509 2.4 39.8 1.0
O C:HOH551 2.7 45.4 1.0
C C:ALA107 3.3 78.2 1.0
C C:GLY109 3.5 43.4 1.0
O C:PRO108 3.6 64.8 1.0
C C:PRO108 3.8 67.9 1.0
CB C:ALA107 3.9 73.5 1.0
CA C:ALA107 3.9 66.5 1.0
O C:SER250 4.0 41.7 1.0
N C:ALA107 4.0 62.4 1.0
N C:GLY109 4.1 45.2 1.0
CG C:ARG111 4.1 32.0 1.0
N C:PRO108 4.2 64.9 1.0
CA C:GLY109 4.2 37.4 1.0
CA C:PRO108 4.4 66.8 1.0
O C:THR248 4.5 44.0 1.0
N C:LYS110 4.6 32.2 1.0
CA C:LYS110 4.8 31.1 1.0
C C:LYS110 4.9 29.7 1.0
N C:ARG111 5.0 31.4 1.0
CB C:ARG111 5.0 32.8 1.0

Calcium binding site 7 out of 8 in 6bun

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Calcium binding site 7 out of 8 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 7 of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca408

b:72.7
occ:1.00
 O B:HOH719 2.3 32.6 1.0
O B:HOH565 2.3 30.8 1.0
O C:HOH574 2.5 31.2 1.0
O C:HOH530 2.6 45.6 1.0
O B:HOH774 2.6 33.0 1.0
O C:SER319 3.2 19.0 1.0
OD1 C:ASN322 3.3 37.6 1.0
O C:HOH736 3.5 39.3 1.0
CG C:ASN322 3.7 26.0 1.0
ND2 C:ASN322 3.7 29.1 1.0
O C:HOH720 3.8 33.0 1.0
O B:SER319 3.9 26.4 1.0
C C:SER319 4.0 21.7 1.0
CA C:SER319 4.5 18.1 1.0
ND2 B:ASN322 4.6 41.4 1.0
N C:ASN322 4.7 14.8 1.0
O B:HOH670 4.7 21.8 1.0
C B:SER319 4.7 19.4 1.0
O C:HOH652 4.8 22.1 1.0
N B:ASN322 4.8 15.2 1.0
CB C:ASN322 4.8 12.8 1.0
O C:HOH702 4.9 29.8 1.0
CA C:ASN322 4.9 12.2 1.0
CB B:ASN322 4.9 20.3 1.0
C C:ASP320 4.9 16.3 1.0
N C:ASP320 4.9 15.3 1.0
O C:ASP318 4.9 17.2 1.0
CA B:ASN322 5.0 20.5 1.0

Calcium binding site 8 out of 8 in 6bun

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Calcium binding site 8 out of 8 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 8 of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca401

b:28.6
occ:0.60
 O D:PRO355 2.7 20.8 1.0
OE2 D:GLU301 2.7 22.5 1.0
O D:GLN353 2.8 20.7 1.0
O D:ALA350 2.8 23.4 1.0
O D:HOH630 3.0 29.8 1.0
O D:GLY358 3.0 20.7 1.0
O D:GLY354 3.2 24.8 1.0
CD D:GLU301 3.4 32.2 1.0
C D:PRO355 3.6 18.8 1.0
CB D:ALA350 3.6 17.8 1.0
C D:GLN353 3.7 18.0 1.0
C D:GLY354 3.7 24.1 1.0
OE1 D:GLU301 3.7 23.1 1.0
C D:ALA350 3.8 28.6 1.0
C D:GLY358 3.9 19.6 1.0
N D:GLN353 4.2 23.6 1.0
N D:GLY358 4.3 18.8 1.0
N D:ASP356 4.3 20.1 1.0
N D:PRO355 4.3 19.0 1.0
CA D:GLY354 4.3 20.1 1.0
N D:GLY357 4.3 19.2 1.0
CA D:ALA350 4.4 21.7 1.0
CA D:ASP356 4.4 20.9 1.0
N D:GLY354 4.4 21.9 1.0
CB D:GLU301 4.4 17.1 1.0
CA D:GLN353 4.5 20.1 1.0
CA D:PRO355 4.5 19.6 1.0
CG D:GLU301 4.5 28.9 1.0
O D:HOH580 4.6 28.4 1.0
O D:HOH595 4.7 40.5 1.0
N D:GLY359 4.7 18.6 1.0
CA D:GLY359 4.7 19.8 1.0
CA D:GLY358 4.7 14.5 1.0
N D:HIS352 4.8 23.0 1.0
C D:ASP356 4.8 24.1 1.0
N D:GLU351 4.8 24.8 1.0
CB D:GLN353 5.0 21.8 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 17:07:07 2024

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