Calcium in PDB 6bum: 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: 6bum was solved by K.Shi, S.Cho, J.L.Seffernick, A.Bera, L.P.Wackett, H.Aihara, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.99 / 1.51
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 81.440, 88.690, 204.280, 90.00, 90.00, 90.00
R / Rfree (%) 12.6 / 14.1

Other elements in 6bum:

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

Chlorine (Cl) 1 atom

Calcium Binding Sites:

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

Calcium binding site 1 out of 4 in 6bum

Go back to Calcium Binding Sites List in 6bum
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:19.0
occ:0.57
O A:PRO355 2.4 17.9 1.0
OE1 A:GLU301 2.4 17.0 1.0
O A:GLN353 2.4 16.0 1.0
O A:ALA350 2.4 15.5 1.0
O A:GLY358 2.7 17.5 1.0
O A:HOH529 2.7 26.6 1.0
HB1 A:ALA350 2.9 19.0 1.0
HB3 A:ALA350 2.9 19.0 1.0
O A:GLY354 3.2 18.6 1.0
CD A:GLU301 3.3 17.2 1.0
C A:PRO355 3.3 17.9 1.0
CB A:ALA350 3.3 15.8 1.0
H A:GLN353 3.4 18.8 1.0
H A:GLY358 3.4 19.7 1.0
C A:GLN353 3.4 15.5 1.0
C A:ALA350 3.5 14.6 1.0
C A:GLY354 3.6 18.1 1.0
HA A:ASP356 3.6 22.1 1.0
C A:GLY358 3.6 16.6 1.0
H A:GLY357 3.7 20.2 1.0
HG2 A:GLU301 3.8 19.4 1.0
OE2 A:GLU301 3.9 17.1 1.0
N A:GLY358 4.0 16.4 1.0
CA A:ALA350 4.0 14.0 1.0
HA2 A:GLY359 4.0 18.5 1.0
N A:GLN353 4.0 15.7 1.0
N A:ASP356 4.1 18.6 1.0
HA3 A:GLY354 4.1 21.2 1.0
N A:PRO355 4.1 17.5 1.0
HB2 A:GLN353 4.1 17.4 1.0
O3 A:PDO404 4.1 34.0 1.0
HB2 A:ALA350 4.2 19.0 1.0
CG A:GLU301 4.2 16.2 1.0
N A:GLY357 4.2 16.8 1.0
CA A:GLY354 4.2 17.6 1.0
CA A:ASP356 4.2 18.4 1.0
N A:GLY354 4.2 16.1 1.0
CA A:PRO355 4.3 17.7 1.0
CA A:GLN353 4.3 15.1 1.0
H A:HIS352 4.4 19.1 1.0
CA A:GLY358 4.4 16.7 1.0
O A:HOH656 4.5 24.4 1.0
N A:GLY359 4.5 15.5 1.0
HA A:GLU351 4.5 18.6 1.0
N A:GLU351 4.6 15.0 1.0
HO3 A:PDO404 4.6 40.8 1.0
C A:ASP356 4.6 17.9 1.0
HA A:ALA350 4.6 16.8 1.0
CA A:GLY359 4.6 15.4 1.0
HA A:PRO355 4.7 21.3 1.0
N A:HIS352 4.7 15.9 1.0
CB A:GLN353 4.7 14.5 1.0
H31 A:PDO404 4.7 43.0 1.0
HG3 A:GLU301 4.7 19.4 1.0
HA3 A:GLY358 4.8 20.0 1.0
HD2 A:PRO355 4.8 22.0 1.0
HA3 A:GLY359 4.8 18.5 1.0
H A:ASP356 4.8 22.3 1.0
H A:ALA350 4.8 17.0 1.0
C A:GLY357 4.9 16.1 1.0
CA A:GLU351 4.9 15.5 1.0

Calcium binding site 2 out of 4 in 6bum

Go back to Calcium Binding Sites List in 6bum
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:18.2
occ:0.50
O B:GLN353 2.4 17.9 1.0
O B:ALA350 2.4 17.7 1.0
O B:PRO355 2.4 18.8 1.0
OE1 B:GLU301 2.4 18.9 1.0
O B:GLY358 2.7 18.3 1.0
O B:HOH554 2.9 26.0 1.0
HB3 B:ALA350 2.9 19.8 1.0
HB1 B:ALA350 2.9 19.8 1.0
O B:GLY354 3.1 19.8 1.0
CD B:GLU301 3.3 18.6 1.0
H B:GLN353 3.3 19.7 1.0
C B:PRO355 3.3 18.8 1.0
CB B:ALA350 3.4 16.5 1.0
C B:GLN353 3.4 17.5 1.0
H B:GLY358 3.4 22.8 1.0
C B:ALA350 3.4 16.7 1.0
C B:GLY354 3.5 19.1 1.0
C B:GLY358 3.6 18.1 1.0
HA B:ASP356 3.7 23.3 1.0
HO3 B:PDO406 3.7 47.5 1.0
H B:GLY357 3.7 21.8 1.0
HG2 B:GLU301 3.9 21.8 1.0
OE2 B:GLU301 3.9 18.2 1.0
N B:GLN353 4.0 16.4 1.0
HA2 B:GLY359 4.0 20.4 1.0
CA B:ALA350 4.0 15.3 1.0
N B:GLY358 4.0 19.0 1.0
HB2 B:GLN353 4.0 19.9 1.0
HA3 B:GLY354 4.1 21.2 1.0
N B:PRO355 4.1 19.0 1.0
N B:ASP356 4.1 19.2 1.0
CA B:GLY354 4.2 17.7 1.0
N B:GLY354 4.2 17.2 1.0
HB2 B:ALA350 4.2 19.8 1.0
CG B:GLU301 4.2 18.2 1.0
N B:GLY357 4.2 18.2 1.0
CA B:GLN353 4.2 16.6 1.0
O3 B:PDO406 4.2 39.6 1.0
CA B:ASP356 4.2 19.4 1.0
CA B:PRO355 4.3 19.4 1.0
H B:HIS352 4.3 20.3 1.0
O B:HOH680 4.4 25.7 1.0
CA B:GLY358 4.4 18.8 1.0
N B:GLY359 4.5 17.0 1.0
HA B:GLU351 4.5 19.0 1.0
N B:GLU351 4.5 16.0 1.0
CA B:GLY359 4.6 17.0 1.0
HA B:ALA350 4.6 18.4 1.0
C B:ASP356 4.6 19.3 1.0
CB B:GLN353 4.7 16.6 1.0
N B:HIS352 4.7 16.9 1.0
HA B:PRO355 4.7 23.3 1.0
HA3 B:GLY358 4.8 22.6 1.0
HA3 B:GLY359 4.8 20.4 1.0
HG3 B:GLU301 4.8 21.8 1.0
H B:ASP356 4.8 23.0 1.0
H B:ALA350 4.8 18.7 1.0
HD2 B:PRO355 4.9 24.5 1.0
CA B:GLU351 4.9 15.8 1.0
H32 B:PDO406 4.9 50.9 1.0
C B:GLY357 4.9 18.4 1.0
H B:GLY354 5.0 20.6 1.0
N B:ALA350 5.0 15.6 1.0

Calcium binding site 3 out of 4 in 6bum

Go back to Calcium Binding Sites List in 6bum
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:19.0
occ:0.54
O C:PRO355 2.4 18.6 1.0
OE1 C:GLU301 2.4 17.8 1.0
O C:GLN353 2.4 17.5 1.0
O C:ALA350 2.4 17.6 1.0
HO1 C:PDO405 2.4 44.9 1.0
O C:GLY358 2.7 18.0 1.0
O1 C:PDO405 2.9 37.4 1.0
HB1 C:ALA350 3.0 19.8 1.0
HB3 C:ALA350 3.0 19.8 1.0
O C:GLY354 3.1 19.3 1.0
H12 C:PDO405 3.3 48.2 1.0
CD C:GLU301 3.3 18.0 1.0
C C:PRO355 3.3 18.1 1.0
H C:GLN353 3.3 20.9 1.0
C C:GLN353 3.4 17.4 1.0
H C:GLY358 3.4 19.3 1.0
CB C:ALA350 3.4 16.5 1.0
C C:ALA350 3.4 17.5 1.0
C C:GLY354 3.5 18.5 1.0
C1 C:PDO405 3.6 40.2 1.0
H C:GLY357 3.6 20.6 1.0
HA C:ASP356 3.6 22.0 1.0
C C:GLY358 3.7 17.6 1.0
HG2 C:GLU301 3.9 20.2 1.0
OE2 C:GLU301 3.9 18.0 1.0
N C:GLY358 4.0 16.1 1.0
N C:GLN353 4.0 17.4 1.0
CA C:ALA350 4.0 17.1 1.0
HB2 C:GLN353 4.0 20.5 1.0
HA2 C:GLY359 4.0 21.2 1.0
N C:PRO355 4.1 18.2 1.0
HA3 C:GLY354 4.1 21.5 1.0
N C:ASP356 4.1 19.0 1.0
H22 C:PDO405 4.1 47.6 1.0
N C:GLY357 4.2 17.2 1.0
CA C:GLY354 4.2 17.9 1.0
N C:GLY354 4.2 18.1 1.0
CG C:GLU301 4.2 16.8 1.0
CA C:ASP356 4.2 18.4 1.0
CA C:GLN353 4.2 17.4 1.0
HB2 C:ALA350 4.2 19.8 1.0
CA C:PRO355 4.3 19.1 1.0
O C:HOH621 4.3 25.7 1.0
H C:HIS352 4.4 20.5 1.0
H11 C:PDO405 4.4 48.2 1.0
CA C:GLY358 4.4 17.1 1.0
C2 C:PDO405 4.5 39.6 1.0
N C:GLY359 4.5 17.3 1.0
HA C:GLU351 4.5 20.5 1.0
N C:GLU351 4.6 17.3 1.0
C C:ASP356 4.6 18.1 1.0
HA C:ALA350 4.6 20.6 1.0
CB C:GLN353 4.6 17.1 1.0
CA C:GLY359 4.7 17.7 1.0
HA C:PRO355 4.7 22.9 1.0
N C:HIS352 4.7 17.1 1.0
HG3 C:GLU301 4.8 20.2 1.0
HA3 C:GLY358 4.8 20.5 1.0
H C:ASP356 4.8 22.8 1.0
HD2 C:PRO355 4.8 23.8 1.0
HA3 C:GLY359 4.8 21.2 1.0
H C:ALA350 4.9 19.2 1.0
C C:GLY357 4.9 16.0 1.0
CA C:GLU351 4.9 17.1 1.0

Calcium binding site 4 out of 4 in 6bum

Go back to Calcium Binding Sites List in 6bum
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:27.7
occ:0.56
O D:GLN353 2.4 26.1 1.0
OE1 D:GLU301 2.4 23.1 1.0
O D:ALA350 2.4 23.5 1.0
HO3 D:PDO405 2.4 59.0 1.0
O D:PRO355 2.5 23.9 1.0
O D:GLY358 2.7 24.3 1.0
H32 D:PDO405 2.8 58.6 1.0
HB3 D:ALA350 2.9 26.4 1.0
HB1 D:ALA350 2.9 26.4 1.0
O3 D:PDO405 2.9 49.2 1.0
O D:GLY354 3.2 29.1 1.0
CD D:GLU301 3.2 23.0 1.0
CB D:ALA350 3.3 22.0 1.0
H D:GLN353 3.3 32.5 1.0
C3 D:PDO405 3.3 48.8 1.0
C D:GLN353 3.4 27.3 1.0
C D:PRO355 3.4 24.2 1.0
H D:GLY358 3.4 26.9 1.0
C D:ALA350 3.4 23.9 1.0
C D:GLY354 3.5 27.3 1.0
H D:GLY357 3.7 26.4 1.0
C D:GLY358 3.7 23.6 1.0
HA D:ASP356 3.7 28.9 1.0
H21 D:PDO405 3.8 57.9 1.0
OE2 D:GLU301 3.8 24.0 1.0
HG2 D:GLU301 3.8 26.7 1.0
CA D:ALA350 4.0 23.0 1.0
N D:GLN353 4.0 27.1 1.0
HA2 D:GLY359 4.0 28.4 1.0
HB2 D:GLN353 4.0 31.6 1.0
N D:GLY358 4.1 22.4 1.0
HA3 D:GLY354 4.1 33.8 1.0
N D:PRO355 4.1 26.6 1.0
H31 D:PDO405 4.1 58.6 1.0
C2 D:PDO405 4.2 48.2 1.0
HB2 D:ALA350 4.2 26.4 1.0
CG D:GLU301 4.2 22.2 1.0
N D:ASP356 4.2 24.2 1.0
CA D:GLY354 4.2 28.2 1.0
N D:GLY354 4.2 27.7 1.0
N D:GLY357 4.2 22.0 1.0
CA D:GLN353 4.2 26.7 1.0
CA D:PRO355 4.3 25.7 1.0
CA D:ASP356 4.3 24.1 1.0
H D:HIS352 4.4 31.4 1.0
O D:HOH560 4.5 33.7 1.0
CA D:GLY358 4.5 22.3 1.0
HA D:GLU351 4.5 30.4 1.0
N D:GLU351 4.5 24.6 1.0
N D:GLY359 4.5 24.0 1.0
HA D:ALA350 4.6 27.6 1.0
CA D:GLY359 4.6 23.7 1.0
CB D:GLN353 4.7 26.3 1.0
HA D:PRO355 4.7 30.9 1.0
N D:HIS352 4.7 26.2 1.0
C D:ASP356 4.7 23.1 1.0
H11 D:PDO405 4.8 59.8 1.0
HG3 D:GLU301 4.8 26.7 1.0
H D:ALA350 4.8 28.4 1.0
HA3 D:GLY359 4.8 28.4 1.0
H22 D:PDO405 4.8 57.9 1.0
HA3 D:GLY358 4.9 26.8 1.0
HD2 D:PRO355 4.9 32.6 1.0
CA D:GLU351 4.9 25.3 1.0
H D:ASP356 4.9 29.0 1.0
N D:ALA350 5.0 23.7 1.0
C D:GLY357 5.0 20.6 1.0
HB3 D:GLU301 5.0 26.9 1.0
H D:GLY354 5.0 33.2 1.0

Reference:

K.Shi, S.Cho, A.Bera, J.L.Seffernick, L.P.Wackett, H.Aihara. Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica To Be Published.
Page generated: Sat Dec 12 06:00:11 2020

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