Calcium in PDB 6buq: 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: 6buq
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)
|
39.71 /
1.88
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
81.050,
89.770,
198.710,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
15.6 /
18.2
|
Other elements in 6buq:
The structure of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Barbituric Acid also contains other interesting chemical elements:
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 6buq). 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: 6buq:
Jump to Calcium binding site number:
1;
2;
3;
4;
Calcium binding site 1 out
of 4 in 6buq
Go back to
Calcium Binding Sites List in 6buq
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:Ca402
b:42.1
occ:1.00
|
OE2
|
A:GLU301
|
2.4
|
27.7
|
1.0
|
O
|
A:GLN353
|
2.5
|
25.7
|
1.0
|
O
|
A:PRO355
|
2.5
|
24.1
|
1.0
|
O
|
A:GLY358
|
2.5
|
26.4
|
1.0
|
O
|
A:ALA350
|
2.5
|
20.3
|
1.0
|
O
|
A:HOH691
|
2.7
|
25.3
|
1.0
|
O
|
A:GLY354
|
2.8
|
24.2
|
1.0
|
HB1
|
A:ALA350
|
3.0
|
26.6
|
1.0
|
HB3
|
A:ALA350
|
3.1
|
26.6
|
1.0
|
C
|
A:GLY354
|
3.3
|
25.6
|
1.0
|
C
|
A:PRO355
|
3.3
|
27.4
|
1.0
|
CD
|
A:GLU301
|
3.3
|
27.2
|
1.0
|
C
|
A:GLN353
|
3.4
|
24.2
|
1.0
|
H
|
A:GLN353
|
3.4
|
28.8
|
1.0
|
CB
|
A:ALA350
|
3.4
|
22.1
|
1.0
|
H
|
A:GLY358
|
3.5
|
32.2
|
1.0
|
C
|
A:ALA350
|
3.6
|
22.3
|
1.0
|
C
|
A:GLY358
|
3.6
|
26.8
|
1.0
|
H
|
A:GLY357
|
3.7
|
30.9
|
1.0
|
HA
|
A:ASP356
|
3.7
|
34.0
|
1.0
|
HA3
|
A:GLY354
|
3.8
|
30.6
|
1.0
|
OE1
|
A:GLU301
|
3.9
|
26.8
|
1.0
|
CA
|
A:GLY354
|
3.9
|
25.5
|
1.0
|
N
|
A:PRO355
|
3.9
|
27.6
|
1.0
|
HA2
|
A:GLY359
|
4.0
|
28.7
|
1.0
|
N
|
A:GLY358
|
4.0
|
26.8
|
1.0
|
N
|
A:GLY354
|
4.1
|
24.4
|
1.0
|
N
|
A:GLN353
|
4.1
|
24.0
|
1.0
|
N
|
A:ASP356
|
4.1
|
28.5
|
1.0
|
HG2
|
A:GLU301
|
4.1
|
31.7
|
1.0
|
CA
|
A:ALA350
|
4.1
|
22.5
|
1.0
|
HB2
|
A:GLN353
|
4.2
|
27.5
|
1.0
|
O
|
A:HOH590
|
4.2
|
28.0
|
1.0
|
CA
|
A:PRO355
|
4.2
|
27.9
|
1.0
|
N
|
A:GLY357
|
4.2
|
25.8
|
1.0
|
HB2
|
A:ALA350
|
4.3
|
26.6
|
1.0
|
CA
|
A:GLN353
|
4.3
|
23.9
|
1.0
|
CA
|
A:ASP356
|
4.3
|
28.3
|
1.0
|
O
|
A:HOH509
|
4.3
|
33.5
|
1.0
|
CG
|
A:GLU301
|
4.4
|
26.4
|
1.0
|
CA
|
A:GLY358
|
4.4
|
26.6
|
1.0
|
H
|
A:HIS352
|
4.5
|
26.4
|
1.0
|
N
|
A:GLY359
|
4.5
|
25.2
|
1.0
|
HA
|
A:PRO355
|
4.6
|
33.5
|
1.0
|
HA
|
A:GLU351
|
4.6
|
27.3
|
1.0
|
CA
|
A:GLY359
|
4.6
|
23.9
|
1.0
|
C
|
A:ASP356
|
4.7
|
26.8
|
1.0
|
N
|
A:GLU351
|
4.7
|
22.2
|
1.0
|
HA3
|
A:GLY359
|
4.8
|
28.7
|
1.0
|
N
|
A:HIS352
|
4.8
|
22.0
|
1.0
|
HA
|
A:ALA350
|
4.8
|
27.1
|
1.0
|
CB
|
A:GLN353
|
4.8
|
22.9
|
1.0
|
HA3
|
A:GLY358
|
4.8
|
32.0
|
1.0
|
H
|
A:ASP356
|
4.8
|
34.2
|
1.0
|
HD2
|
A:PRO355
|
4.8
|
34.0
|
1.0
|
HA2
|
A:GLY354
|
4.9
|
30.6
|
1.0
|
H
|
A:GLY354
|
4.9
|
29.2
|
1.0
|
HG3
|
A:GLU301
|
4.9
|
31.7
|
1.0
|
C
|
A:GLY357
|
4.9
|
26.0
|
1.0
|
H
|
A:ALA350
|
4.9
|
27.5
|
1.0
|
|
Calcium binding site 2 out
of 4 in 6buq
Go back to
Calcium Binding Sites List in 6buq
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:32.3
occ:1.00
|
OE2
|
B:GLU301
|
2.4
|
28.3
|
1.0
|
O
|
B:GLN353
|
2.4
|
26.0
|
1.0
|
O
|
B:ALA350
|
2.4
|
25.3
|
1.0
|
O
|
B:PRO355
|
2.5
|
28.5
|
1.0
|
O
|
B:HOH570
|
2.5
|
31.0
|
1.0
|
O
|
B:GLY358
|
2.6
|
30.6
|
1.0
|
O
|
B:GLY354
|
2.8
|
27.7
|
1.0
|
HB1
|
B:ALA350
|
3.0
|
30.2
|
1.0
|
HB3
|
B:ALA350
|
3.1
|
30.2
|
1.0
|
CD
|
B:GLU301
|
3.3
|
28.3
|
1.0
|
C
|
B:GLY354
|
3.3
|
28.9
|
1.0
|
C
|
B:PRO355
|
3.4
|
30.1
|
1.0
|
C
|
B:GLN353
|
3.4
|
26.4
|
1.0
|
H
|
B:GLN353
|
3.4
|
31.7
|
1.0
|
H
|
B:GLY358
|
3.4
|
37.1
|
1.0
|
CB
|
B:ALA350
|
3.4
|
25.2
|
1.0
|
C
|
B:ALA350
|
3.5
|
25.5
|
1.0
|
C
|
B:GLY358
|
3.7
|
30.4
|
1.0
|
HA
|
B:ASP356
|
3.7
|
37.6
|
1.0
|
HO1
|
B:PDO403
|
3.7
|
50.3
|
1.0
|
H
|
B:GLY357
|
3.7
|
35.7
|
1.0
|
OE1
|
B:GLU301
|
3.9
|
27.7
|
1.0
|
HA3
|
B:GLY354
|
4.0
|
33.5
|
1.0
|
N
|
B:PRO355
|
4.0
|
31.2
|
1.0
|
N
|
B:GLN353
|
4.0
|
26.4
|
1.0
|
HA2
|
B:GLY359
|
4.0
|
32.1
|
1.0
|
N
|
B:GLY358
|
4.0
|
30.9
|
1.0
|
CA
|
B:GLY354
|
4.0
|
27.9
|
1.0
|
HG2
|
B:GLU301
|
4.1
|
34.2
|
1.0
|
N
|
B:ASP356
|
4.1
|
31.2
|
1.0
|
N
|
B:GLY354
|
4.1
|
26.9
|
1.0
|
CA
|
B:ALA350
|
4.1
|
24.6
|
1.0
|
O1
|
B:PDO403
|
4.1
|
41.9
|
1.0
|
HB2
|
B:GLN353
|
4.1
|
30.4
|
1.0
|
CA
|
B:PRO355
|
4.2
|
31.5
|
1.0
|
N
|
B:GLY357
|
4.2
|
29.7
|
1.0
|
CA
|
B:GLN353
|
4.3
|
26.0
|
1.0
|
CA
|
B:ASP356
|
4.3
|
31.3
|
1.0
|
O
|
B:HOH579
|
4.3
|
32.1
|
1.0
|
HB2
|
B:ALA350
|
4.3
|
30.2
|
1.0
|
CG
|
B:GLU301
|
4.3
|
28.5
|
1.0
|
H
|
B:HIS352
|
4.4
|
31.8
|
1.0
|
CA
|
B:GLY358
|
4.4
|
31.6
|
1.0
|
HA
|
B:GLU351
|
4.5
|
31.6
|
1.0
|
N
|
B:GLY359
|
4.5
|
28.5
|
1.0
|
HA
|
B:PRO355
|
4.6
|
37.9
|
1.0
|
N
|
B:GLU351
|
4.6
|
25.2
|
1.0
|
C
|
B:ASP356
|
4.6
|
30.7
|
1.0
|
N
|
B:HIS352
|
4.6
|
26.5
|
1.0
|
CA
|
B:GLY359
|
4.7
|
26.8
|
1.0
|
HA
|
B:ALA350
|
4.7
|
29.5
|
1.0
|
CB
|
B:GLN353
|
4.7
|
25.4
|
1.0
|
H12
|
B:PDO403
|
4.8
|
61.0
|
1.0
|
H
|
B:ASP356
|
4.8
|
37.4
|
1.0
|
HA3
|
B:GLY358
|
4.9
|
37.9
|
1.0
|
HG3
|
B:GLU301
|
4.9
|
34.2
|
1.0
|
HA3
|
B:GLY359
|
4.9
|
32.1
|
1.0
|
H
|
B:GLY354
|
4.9
|
32.3
|
1.0
|
HD2
|
B:PRO355
|
4.9
|
39.4
|
1.0
|
CA
|
B:GLU351
|
4.9
|
26.3
|
1.0
|
H
|
B:ALA350
|
4.9
|
28.7
|
1.0
|
HA2
|
B:GLY354
|
5.0
|
33.5
|
1.0
|
C
|
B:GLY357
|
5.0
|
29.9
|
1.0
|
|
Calcium binding site 3 out
of 4 in 6buq
Go back to
Calcium Binding Sites List in 6buq
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:31.0
occ:1.00
|
OE2
|
C:GLU301
|
2.3
|
26.6
|
1.0
|
O
|
C:HOH564
|
2.4
|
29.2
|
1.0
|
O
|
C:PRO355
|
2.4
|
26.8
|
1.0
|
O
|
C:ALA350
|
2.4
|
26.1
|
1.0
|
O
|
C:GLN353
|
2.4
|
30.0
|
1.0
|
O
|
C:GLY358
|
2.5
|
28.6
|
1.0
|
O
|
C:GLY354
|
2.8
|
27.9
|
1.0
|
HB3
|
C:ALA350
|
3.1
|
31.4
|
1.0
|
HB1
|
C:ALA350
|
3.1
|
31.4
|
1.0
|
C
|
C:PRO355
|
3.2
|
27.1
|
1.0
|
C
|
C:GLY354
|
3.3
|
29.2
|
1.0
|
CD
|
C:GLU301
|
3.3
|
27.0
|
1.0
|
C
|
C:GLN353
|
3.4
|
31.0
|
1.0
|
H
|
C:GLN353
|
3.4
|
37.9
|
1.0
|
H
|
C:GLY358
|
3.5
|
32.4
|
1.0
|
CB
|
C:ALA350
|
3.5
|
26.2
|
1.0
|
C
|
C:ALA350
|
3.5
|
26.0
|
1.0
|
C
|
C:GLY358
|
3.6
|
28.5
|
1.0
|
HA
|
C:ASP356
|
3.6
|
32.3
|
1.0
|
H
|
C:GLY357
|
3.7
|
32.4
|
1.0
|
OE1
|
C:GLU301
|
3.8
|
27.6
|
1.0
|
N
|
C:PRO355
|
3.9
|
29.9
|
1.0
|
HA3
|
C:GLY354
|
4.0
|
34.9
|
1.0
|
HO1
|
C:PDO406
|
4.0
|
48.7
|
1.0
|
N
|
C:ASP356
|
4.0
|
26.9
|
1.0
|
HA2
|
C:GLY359
|
4.0
|
33.3
|
1.0
|
CA
|
C:GLY354
|
4.0
|
29.1
|
1.0
|
N
|
C:GLY358
|
4.0
|
27.0
|
1.0
|
N
|
C:GLN353
|
4.0
|
31.6
|
1.0
|
CA
|
C:PRO355
|
4.1
|
29.6
|
1.0
|
N
|
C:GLY354
|
4.1
|
30.7
|
1.0
|
CA
|
C:ALA350
|
4.1
|
26.6
|
1.0
|
N
|
C:GLY357
|
4.2
|
27.0
|
1.0
|
HG2
|
C:GLU301
|
4.2
|
29.9
|
1.0
|
CA
|
C:ASP356
|
4.2
|
26.9
|
1.0
|
O1
|
C:PDO406
|
4.2
|
40.6
|
1.0
|
HB2
|
C:GLN353
|
4.2
|
36.5
|
1.0
|
CA
|
C:GLN353
|
4.3
|
31.6
|
1.0
|
HB2
|
C:ALA350
|
4.3
|
31.4
|
1.0
|
H
|
C:HIS352
|
4.3
|
34.0
|
1.0
|
O
|
C:HOH552
|
4.4
|
31.1
|
1.0
|
CG
|
C:GLU301
|
4.4
|
24.9
|
1.0
|
CA
|
C:GLY358
|
4.4
|
27.2
|
1.0
|
HA
|
C:PRO355
|
4.4
|
35.5
|
1.0
|
N
|
C:GLY359
|
4.5
|
28.5
|
1.0
|
HA
|
C:GLU351
|
4.5
|
32.5
|
1.0
|
C
|
C:ASP356
|
4.6
|
27.4
|
1.0
|
N
|
C:GLU351
|
4.6
|
25.7
|
1.0
|
CA
|
C:GLY359
|
4.6
|
27.7
|
1.0
|
N
|
C:HIS352
|
4.7
|
28.3
|
1.0
|
H
|
C:ASP356
|
4.7
|
32.3
|
1.0
|
HA
|
C:ALA350
|
4.8
|
31.9
|
1.0
|
HA3
|
C:GLY359
|
4.8
|
33.3
|
1.0
|
CB
|
C:GLN353
|
4.8
|
30.4
|
1.0
|
HA3
|
C:GLY358
|
4.8
|
32.6
|
1.0
|
HD2
|
C:PRO355
|
4.9
|
37.5
|
1.0
|
H
|
C:GLY354
|
4.9
|
36.9
|
1.0
|
C
|
C:GLY357
|
4.9
|
25.8
|
1.0
|
HA2
|
C:GLY354
|
4.9
|
34.9
|
1.0
|
CA
|
C:GLU351
|
5.0
|
27.0
|
1.0
|
H
|
C:ALA350
|
5.0
|
31.7
|
1.0
|
CD
|
C:PRO355
|
5.0
|
31.2
|
1.0
|
HG3
|
C:GLU301
|
5.0
|
29.9
|
1.0
|
|
Calcium binding site 4 out
of 4 in 6buq
Go back to
Calcium Binding Sites List in 6buq
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:40.3
occ:1.00
|
OE2
|
D:GLU301
|
2.4
|
38.9
|
1.0
|
O
|
D:PRO355
|
2.4
|
37.5
|
1.0
|
O
|
D:HOH557
|
2.4
|
38.0
|
1.0
|
O
|
D:ALA350
|
2.5
|
38.5
|
1.0
|
O
|
D:GLY358
|
2.5
|
39.2
|
1.0
|
O
|
D:GLN353
|
2.6
|
42.3
|
1.0
|
O
|
D:GLY354
|
2.8
|
39.0
|
1.0
|
HB3
|
D:ALA350
|
3.0
|
45.5
|
1.0
|
HB1
|
D:ALA350
|
3.2
|
45.5
|
1.0
|
C
|
D:PRO355
|
3.2
|
39.1
|
1.0
|
CD
|
D:GLU301
|
3.3
|
37.8
|
1.0
|
H
|
D:GLY358
|
3.3
|
44.3
|
1.0
|
C
|
D:GLY354
|
3.4
|
39.6
|
1.0
|
H
|
D:GLN353
|
3.4
|
54.9
|
1.0
|
C
|
D:GLN353
|
3.5
|
42.0
|
1.0
|
CB
|
D:ALA350
|
3.5
|
38.0
|
1.0
|
HA
|
D:ASP356
|
3.6
|
46.4
|
1.0
|
C
|
D:ALA350
|
3.6
|
40.1
|
1.0
|
C
|
D:GLY358
|
3.6
|
38.9
|
1.0
|
H
|
D:GLY357
|
3.7
|
41.7
|
1.0
|
OE1
|
D:GLU301
|
3.8
|
38.0
|
1.0
|
N
|
D:PRO355
|
4.0
|
41.7
|
1.0
|
N
|
D:ASP356
|
4.0
|
39.9
|
1.0
|
N
|
D:GLY358
|
4.0
|
36.9
|
1.0
|
N
|
D:GLN353
|
4.0
|
45.7
|
1.0
|
HA3
|
D:GLY354
|
4.1
|
47.1
|
1.0
|
HA2
|
D:GLY359
|
4.1
|
46.2
|
1.0
|
CA
|
D:PRO355
|
4.1
|
42.1
|
1.0
|
CA
|
D:GLY354
|
4.1
|
39.2
|
1.0
|
HG2
|
D:GLU301
|
4.1
|
42.7
|
1.0
|
CA
|
D:ASP356
|
4.2
|
38.6
|
1.0
|
N
|
D:GLY357
|
4.2
|
34.8
|
1.0
|
CA
|
D:ALA350
|
4.2
|
38.3
|
1.0
|
N
|
D:GLY354
|
4.2
|
41.1
|
1.0
|
HO4
|
D:PEG404
|
4.2
|
75.3
|
1.0
|
H
|
D:HIS352
|
4.2
|
52.2
|
1.0
|
HB2
|
D:GLN353
|
4.3
|
55.6
|
1.0
|
O
|
D:HOH543
|
4.3
|
44.4
|
1.0
|
O4
|
D:PEG404
|
4.3
|
62.7
|
1.0
|
CA
|
D:GLN353
|
4.4
|
45.6
|
1.0
|
CG
|
D:GLU301
|
4.4
|
35.6
|
1.0
|
HB2
|
D:ALA350
|
4.4
|
45.5
|
1.0
|
CA
|
D:GLY358
|
4.4
|
38.0
|
1.0
|
HA
|
D:PRO355
|
4.5
|
50.5
|
1.0
|
HA
|
D:GLU351
|
4.5
|
53.5
|
1.0
|
C
|
D:ASP356
|
4.6
|
36.5
|
1.0
|
N
|
D:GLY359
|
4.6
|
38.7
|
1.0
|
N
|
D:HIS352
|
4.6
|
43.5
|
1.0
|
N
|
D:GLU351
|
4.6
|
42.2
|
1.0
|
H41
|
D:PEG404
|
4.7
|
91.4
|
1.0
|
H
|
D:ASP356
|
4.7
|
47.9
|
1.0
|
CA
|
D:GLY359
|
4.7
|
38.5
|
1.0
|
HA3
|
D:GLY358
|
4.8
|
45.6
|
1.0
|
HA
|
D:ALA350
|
4.9
|
46.0
|
1.0
|
CB
|
D:GLN353
|
4.9
|
46.4
|
1.0
|
H
|
D:ALA350
|
4.9
|
43.9
|
1.0
|
HA3
|
D:GLY359
|
4.9
|
46.2
|
1.0
|
C
|
D:GLY357
|
4.9
|
34.9
|
1.0
|
HG3
|
D:GLU301
|
4.9
|
42.7
|
1.0
|
CA
|
D:GLU351
|
4.9
|
44.5
|
1.0
|
C4
|
D:PEG404
|
5.0
|
76.1
|
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 17:08:04 2024
|