Chlorine in PDB 6bup: Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Cyanuric Acid
Enzymatic activity of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Cyanuric Acid
All present enzymatic activity of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Cyanuric Acid:
3.5.2.15;
Protein crystallography data
The structure of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Cyanuric Acid, PDB code: 6bup
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)
|
99.28 /
1.88
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
81.070,
89.420,
198.550,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
14.8 /
18.1
|
Other elements in 6bup:
The structure of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Cyanuric Acid also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Cyanuric Acid
(pdb code 6bup). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the
Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Cyanuric Acid, PDB code: 6bup:
Jump to Chlorine binding site number:
1;
2;
3;
Chlorine binding site 1 out
of 3 in 6bup
Go back to
Chlorine Binding Sites List in 6bup
Chlorine binding site 1 out
of 3 in the Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Cyanuric Acid
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Cyanuric Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl403
b:53.7
occ:1.00
|
HA
|
D:SER326
|
3.4
|
25.7
|
1.0
|
HB2
|
D:ALA329
|
3.4
|
29.8
|
1.0
|
HB3
|
D:ALA329
|
3.4
|
29.8
|
1.0
|
HB2
|
B:ALA329
|
3.5
|
26.0
|
1.0
|
O
|
D:HOH508
|
3.6
|
27.0
|
1.0
|
HA
|
B:SER326
|
3.6
|
34.1
|
1.0
|
HB3
|
B:ALA329
|
3.6
|
26.0
|
1.0
|
O
|
B:HOH580
|
3.6
|
32.3
|
1.0
|
CB
|
D:ALA329
|
3.7
|
24.8
|
1.0
|
HG
|
D:SER326
|
3.8
|
38.7
|
1.0
|
HB1
|
D:ALA329
|
3.8
|
29.8
|
1.0
|
CB
|
B:ALA329
|
3.9
|
21.7
|
1.0
|
HB1
|
B:ALA329
|
3.9
|
26.0
|
1.0
|
HG
|
B:SER326
|
3.9
|
40.0
|
1.0
|
HB3
|
D:GLU87
|
4.0
|
26.4
|
1.0
|
HG21
|
D:ILE321
|
4.1
|
35.6
|
1.0
|
HB3
|
B:GLU87
|
4.1
|
25.9
|
1.0
|
HD13
|
D:ILE321
|
4.2
|
47.9
|
1.0
|
HG21
|
B:ILE321
|
4.3
|
38.5
|
1.0
|
HD13
|
B:ILE321
|
4.3
|
42.5
|
1.0
|
CA
|
D:SER326
|
4.3
|
21.4
|
1.0
|
H
|
D:GLY88
|
4.5
|
33.6
|
1.0
|
CA
|
B:SER326
|
4.5
|
28.4
|
1.0
|
OG
|
D:SER326
|
4.5
|
32.2
|
1.0
|
H
|
B:GLY88
|
4.6
|
25.2
|
1.0
|
OG
|
B:SER326
|
4.7
|
33.3
|
1.0
|
O
|
D:ARG325
|
4.7
|
25.2
|
1.0
|
HB3
|
D:SER326
|
4.7
|
31.2
|
1.0
|
HG2
|
D:GLU87
|
4.7
|
31.0
|
1.0
|
CB
|
D:SER326
|
4.8
|
26.0
|
1.0
|
O
|
B:ARG325
|
4.9
|
21.7
|
1.0
|
HG2
|
B:GLU87
|
4.9
|
27.7
|
1.0
|
CB
|
D:GLU87
|
4.9
|
21.9
|
1.0
|
N
|
D:SER326
|
4.9
|
21.9
|
1.0
|
HB3
|
B:SER326
|
4.9
|
36.0
|
1.0
|
CG2
|
D:ILE321
|
5.0
|
29.6
|
1.0
|
CB
|
B:SER326
|
5.0
|
30.0
|
1.0
|
|
Chlorine binding site 2 out
of 3 in 6bup
Go back to
Chlorine Binding Sites List in 6bup
Chlorine binding site 2 out
of 3 in the Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Cyanuric Acid
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Cyanuric Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl404
b:55.7
occ:0.81
|
H
|
D:VAL6
|
2.6
|
53.0
|
1.0
|
O
|
D:HOH507
|
2.9
|
50.0
|
1.0
|
HD11
|
D:LEU254
|
3.0
|
69.7
|
1.0
|
O
|
D:HOH627
|
3.1
|
58.6
|
1.0
|
O
|
D:VAL6
|
3.1
|
46.4
|
1.0
|
HB3
|
D:GLU5
|
3.2
|
61.3
|
1.0
|
N
|
D:VAL6
|
3.4
|
44.3
|
1.0
|
HA
|
D:GLU5
|
3.4
|
58.3
|
1.0
|
HD21
|
D:LEU254
|
3.6
|
62.3
|
1.0
|
HG2
|
D:GLU5
|
3.6
|
68.2
|
1.0
|
CB
|
D:GLU5
|
3.9
|
51.1
|
1.0
|
C
|
D:VAL6
|
4.0
|
45.1
|
1.0
|
CD1
|
D:LEU254
|
4.0
|
58.0
|
1.0
|
CA
|
D:GLU5
|
4.0
|
48.8
|
1.0
|
C
|
D:GLU5
|
4.2
|
45.8
|
1.0
|
CG
|
D:GLU5
|
4.2
|
56.8
|
1.0
|
CA
|
D:VAL6
|
4.3
|
41.6
|
1.0
|
CZ
|
D:PHE7
|
4.3
|
49.0
|
1.0
|
HD13
|
D:LEU254
|
4.4
|
69.7
|
1.0
|
HD12
|
D:LEU254
|
4.4
|
69.7
|
1.0
|
CE2
|
D:PHE7
|
4.4
|
50.2
|
1.0
|
CD2
|
D:LEU254
|
4.5
|
51.9
|
1.0
|
HZ
|
D:PHE7
|
4.5
|
58.8
|
1.0
|
HG
|
D:LEU254
|
4.5
|
69.4
|
1.0
|
HB
|
D:VAL6
|
4.5
|
60.0
|
1.0
|
CE1
|
D:PHE7
|
4.6
|
48.2
|
1.0
|
CG
|
D:LEU254
|
4.6
|
57.8
|
1.0
|
HE2
|
D:PHE7
|
4.7
|
60.3
|
1.0
|
HB2
|
D:GLU5
|
4.8
|
61.3
|
1.0
|
CD2
|
D:PHE7
|
4.8
|
44.0
|
1.0
|
HE1
|
D:PHE7
|
4.8
|
57.9
|
1.0
|
CD
|
D:GLU5
|
4.9
|
73.5
|
1.0
|
HD22
|
D:LEU254
|
4.9
|
62.3
|
1.0
|
CD1
|
D:PHE7
|
4.9
|
46.2
|
1.0
|
CB
|
D:VAL6
|
5.0
|
50.0
|
1.0
|
CG
|
D:PHE7
|
5.0
|
42.4
|
1.0
|
HA
|
D:PHE7
|
5.0
|
53.9
|
1.0
|
OE2
|
D:GLU5
|
5.0
|
83.1
|
1.0
|
O
|
D:HOH567
|
5.0
|
49.6
|
1.0
|
|
Chlorine binding site 3 out
of 3 in 6bup
Go back to
Chlorine Binding Sites List in 6bup
Chlorine binding site 3 out
of 3 in the Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Cyanuric Acid
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica Complexed with Cyanuric Acid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl405
b:52.7
occ:0.81
|
O
|
D:HOH584
|
2.9
|
43.8
|
1.0
|
OE1
|
D:GLU301
|
3.0
|
41.1
|
1.0
|
HA
|
D:GLU351
|
3.2
|
55.2
|
1.0
|
OE2
|
D:GLU301
|
3.4
|
40.2
|
1.0
|
HG3
|
D:GLU351
|
3.5
|
89.5
|
1.0
|
CD
|
D:GLU301
|
3.5
|
44.2
|
1.0
|
CZ3
|
D:TRP221
|
3.7
|
60.0
|
1.0
|
HA
|
D:ASP356
|
3.7
|
35.4
|
1.0
|
CH2
|
D:TRP221
|
3.7
|
62.2
|
1.0
|
CE3
|
D:TRP221
|
3.8
|
56.3
|
1.0
|
CZ2
|
D:TRP221
|
3.8
|
65.8
|
1.0
|
CD2
|
D:TRP221
|
3.9
|
62.3
|
1.0
|
CE2
|
D:TRP221
|
3.9
|
68.1
|
1.0
|
HZ3
|
D:TRP221
|
4.0
|
72.0
|
1.0
|
HH2
|
D:TRP221
|
4.1
|
74.7
|
1.0
|
CA
|
D:GLU351
|
4.2
|
45.9
|
1.0
|
HE3
|
D:TRP221
|
4.2
|
67.5
|
1.0
|
H
|
D:HIS352
|
4.2
|
50.0
|
1.0
|
HZ2
|
D:TRP221
|
4.3
|
79.0
|
1.0
|
O
|
D:ALA350
|
4.4
|
39.2
|
1.0
|
CG
|
D:GLU351
|
4.4
|
74.6
|
1.0
|
OD1
|
D:ASP356
|
4.4
|
34.0
|
1.0
|
HB2
|
D:ASP356
|
4.4
|
36.1
|
1.0
|
CA
|
D:CA402
|
4.4
|
37.1
|
0.7
|
H
|
D:GLY357
|
4.5
|
33.7
|
1.0
|
CA
|
D:ASP356
|
4.6
|
29.5
|
1.0
|
N
|
D:GLU351
|
4.6
|
41.5
|
1.0
|
C
|
D:ALA350
|
4.7
|
42.8
|
1.0
|
NE1
|
D:TRP221
|
4.7
|
70.7
|
1.0
|
CG
|
D:TRP221
|
4.7
|
61.5
|
1.0
|
CG
|
D:ASP356
|
4.7
|
34.5
|
1.0
|
CB
|
D:GLU351
|
4.8
|
58.6
|
1.0
|
CB
|
D:ASP356
|
4.8
|
30.1
|
1.0
|
N
|
D:HIS352
|
4.9
|
41.6
|
1.0
|
CG
|
D:GLU301
|
5.0
|
49.0
|
1.0
|
HB3
|
D:GLU351
|
5.0
|
70.4
|
1.0
|
HG2
|
D:GLU351
|
5.0
|
89.5
|
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: Fri Jul 26 23:05:59 2024
|