Chlorine 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 Binding Sites:
The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine where determined in the
Crystal Structures of Cyanuric Acid Hydrolase From Moorella Thermoacetica, PDB code: 6bun:
Jump to Chlorine binding site number:
1;
2;
3;
4;
Chlorine binding site 1 out
of 4 in 6bun
Go back to
Chlorine Binding Sites List in 6bun
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl403
b:41.6
occ:1.00
|
O
|
A:HOH731
|
3.3
|
36.3
|
1.0
|
N
|
A:ASP268
|
3.3
|
17.4
|
1.0
|
N
|
A:ALA267
|
3.4
|
17.2
|
1.0
|
NH2
|
A:ARG309
|
3.5
|
17.8
|
1.0
|
OD1
|
A:ASP266
|
3.5
|
20.5
|
1.0
|
CG
|
A:ASP268
|
3.6
|
38.1
|
1.0
|
CA
|
A:ASP266
|
3.7
|
15.3
|
1.0
|
OD2
|
A:ASP268
|
3.8
|
30.8
|
1.0
|
CB
|
A:ASP268
|
3.8
|
22.0
|
1.0
|
O
|
A:ILE265
|
3.8
|
16.4
|
1.0
|
O
|
A:HOH815
|
3.8
|
47.9
|
1.0
|
C
|
A:ASP266
|
3.9
|
17.3
|
1.0
|
O
|
C:HOH598
|
3.9
|
44.4
|
1.0
|
OD1
|
A:ASP268
|
3.9
|
23.8
|
1.0
|
NH1
|
A:ARG309
|
4.1
|
23.7
|
1.0
|
CA
|
A:ASP268
|
4.2
|
22.1
|
1.0
|
CA
|
A:ALA267
|
4.2
|
13.5
|
1.0
|
CZ
|
A:ARG309
|
4.2
|
20.3
|
1.0
|
C
|
A:ALA267
|
4.2
|
17.5
|
1.0
|
CG
|
A:ASP266
|
4.4
|
20.3
|
1.0
|
CB
|
A:ALA267
|
4.5
|
17.7
|
1.0
|
CB
|
A:ASP266
|
4.6
|
14.9
|
1.0
|
C
|
A:ILE265
|
4.6
|
15.6
|
1.0
|
N
|
A:ASP266
|
4.7
|
16.4
|
1.0
|
O
|
A:HOH553
|
4.7
|
30.8
|
1.0
|
NH2
|
A:ARG271
|
4.8
|
26.3
|
1.0
|
O
|
A:ASP266
|
4.8
|
17.4
|
1.0
|
O
|
C:SER337
|
5.0
|
20.5
|
1.0
|
|
Chlorine binding site 2 out
of 4 in 6bun
Go back to
Chlorine Binding Sites List in 6bun
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl405
b:51.1
occ:1.00
|
O
|
B:HOH781
|
2.9
|
51.5
|
1.0
|
O
|
B:HOH615
|
3.0
|
36.5
|
1.0
|
NH2
|
B:ARG309
|
3.4
|
17.8
|
1.0
|
N
|
B:ASP268
|
3.5
|
16.2
|
1.0
|
N
|
B:ALA267
|
3.5
|
17.4
|
1.0
|
OD1
|
B:ASP266
|
3.6
|
20.3
|
1.0
|
CG
|
B:ASP268
|
3.7
|
32.9
|
1.0
|
OD2
|
B:ASP268
|
3.8
|
34.1
|
1.0
|
CA
|
B:ASP266
|
3.8
|
18.9
|
1.0
|
O
|
B:ILE265
|
3.8
|
15.4
|
1.0
|
NH1
|
B:ARG309
|
3.8
|
25.3
|
1.0
|
O
|
D:HOH550
|
3.9
|
38.2
|
1.0
|
CB
|
B:ASP268
|
3.9
|
22.4
|
1.0
|
C
|
B:ASP266
|
4.0
|
14.5
|
1.0
|
OD1
|
B:ASP268
|
4.1
|
28.0
|
1.0
|
CZ
|
B:ARG309
|
4.1
|
35.8
|
1.0
|
CA
|
B:ASP268
|
4.3
|
17.2
|
1.0
|
CA
|
B:ALA267
|
4.3
|
17.5
|
1.0
|
C
|
B:ALA267
|
4.4
|
18.4
|
1.0
|
CG
|
B:ASP266
|
4.5
|
23.1
|
1.0
|
CB
|
B:ALA267
|
4.6
|
15.8
|
1.0
|
C
|
B:ILE265
|
4.7
|
16.2
|
1.0
|
CB
|
B:ASP266
|
4.7
|
20.0
|
1.0
|
N
|
B:ASP266
|
4.7
|
16.7
|
1.0
|
O
|
D:SER337
|
4.9
|
27.6
|
1.0
|
NH2
|
B:ARG271
|
4.9
|
22.9
|
1.0
|
O
|
B:HOH518
|
5.0
|
39.8
|
1.0
|
|
Chlorine binding site 3 out
of 4 in 6bun
Go back to
Chlorine Binding Sites List in 6bun
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl403
b:55.4
occ:1.00
|
O
|
C:HOH609
|
3.1
|
36.9
|
1.0
|
ND2
|
C:ASN134
|
3.3
|
33.9
|
1.0
|
CB
|
C:ASN134
|
3.8
|
31.6
|
1.0
|
O
|
C:HOH594
|
3.8
|
43.7
|
1.0
|
CA
|
C:GLU131
|
3.9
|
34.4
|
1.0
|
CG
|
C:ASN134
|
4.1
|
40.5
|
1.0
|
O
|
C:MET130
|
4.2
|
27.7
|
1.0
|
CG
|
C:GLU131
|
4.3
|
33.3
|
1.0
|
N
|
C:GLU131
|
4.4
|
26.1
|
1.0
|
C
|
C:MET130
|
4.6
|
30.8
|
1.0
|
CB
|
C:GLU131
|
4.6
|
28.8
|
1.0
|
O
|
C:GLU131
|
4.7
|
24.1
|
1.0
|
C
|
C:GLU131
|
4.8
|
33.2
|
1.0
|
O
|
C:HOH793
|
4.9
|
42.3
|
1.0
|
|
Chlorine binding site 4 out
of 4 in 6bun
Go back to
Chlorine Binding Sites List in 6bun
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl402
b:27.8
occ:1.00
|
O
|
D:HOH529
|
3.0
|
30.8
|
1.0
|
N
|
D:ALA302
|
3.1
|
15.8
|
1.0
|
CD2
|
D:HIS323
|
3.2
|
14.4
|
1.0
|
CG2
|
D:THR324
|
3.3
|
16.7
|
1.0
|
NE2
|
D:HIS323
|
3.8
|
26.6
|
1.0
|
CA
|
D:GLU301
|
3.8
|
16.5
|
1.0
|
CA
|
D:THR324
|
3.8
|
16.4
|
1.0
|
CB
|
D:ALA302
|
3.8
|
16.3
|
1.0
|
C
|
D:GLU301
|
4.0
|
13.8
|
1.0
|
CB
|
D:THR324
|
4.0
|
21.9
|
1.0
|
CA
|
D:ALA302
|
4.1
|
17.7
|
1.0
|
N
|
D:THR324
|
4.2
|
12.4
|
1.0
|
O
|
D:HOH576
|
4.2
|
27.1
|
1.0
|
CG
|
D:GLU301
|
4.2
|
28.9
|
1.0
|
CG
|
D:HIS323
|
4.4
|
15.6
|
1.0
|
O
|
D:HIS323
|
4.4
|
15.0
|
1.0
|
C
|
D:HIS323
|
4.4
|
14.6
|
1.0
|
CB
|
D:ALA327
|
4.5
|
11.9
|
1.0
|
CB
|
D:GLU301
|
4.5
|
17.1
|
1.0
|
O
|
D:ALA300
|
4.7
|
18.2
|
1.0
|
O
|
D:ALA302
|
4.7
|
20.1
|
1.0
|
N
|
D:GLU301
|
4.8
|
16.0
|
1.0
|
C
|
D:ALA302
|
4.9
|
15.4
|
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 23:05:49 2024
|