Chlorine in PDB 6y7b: X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate
Enzymatic activity of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate
All present enzymatic activity of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate:
3.8.1.5;
Protein crystallography data
The structure of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate, PDB code: 6y7b
was solved by
M.Tarnawski,
K.Johnsson,
J.Hiblot,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
49.31 /
3.10
|
Space group
|
P 3 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
161.27,
161.27,
124.66,
90,
90,
120
|
R / Rfree (%)
|
20.7 /
25.9
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate
(pdb code 6y7b). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the
X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate, PDB code: 6y7b:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
Chlorine binding site 1 out
of 5 in 6y7b
Go back to
Chlorine Binding Sites List in 6y7b
Chlorine binding site 1 out
of 5 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl302
b:31.1
occ:1.00
|
ND2
|
A:ASN41
|
3.3
|
25.5
|
1.0
|
NE1
|
A:TRP107
|
3.3
|
32.3
|
1.0
|
N
|
A:PRO206
|
3.4
|
33.8
|
1.0
|
CA
|
A:PRO206
|
3.7
|
36.6
|
1.0
|
CB
|
A:PHE205
|
3.7
|
36.8
|
1.0
|
C
|
A:PHE205
|
3.7
|
31.8
|
1.0
|
CD
|
A:PRO206
|
3.7
|
38.1
|
1.0
|
CD1
|
A:LEU209
|
3.8
|
29.5
|
1.0
|
CD1
|
A:TRP107
|
3.8
|
31.1
|
1.0
|
C24
|
A:OEK301
|
3.8
|
33.2
|
1.0
|
CG
|
A:LEU209
|
3.9
|
33.6
|
1.0
|
CZ
|
A:PHE168
|
4.0
|
27.1
|
1.0
|
O
|
A:PHE205
|
4.0
|
31.6
|
1.0
|
CB
|
A:PRO206
|
4.0
|
37.2
|
1.0
|
CD2
|
A:LEU209
|
4.0
|
22.5
|
1.0
|
CB
|
A:ASN41
|
4.0
|
29.2
|
1.0
|
C23
|
A:OEK301
|
4.1
|
30.7
|
1.0
|
CG
|
A:ASN41
|
4.2
|
29.8
|
1.0
|
CA
|
A:PHE205
|
4.3
|
33.1
|
1.0
|
C22
|
A:OEK301
|
4.4
|
24.4
|
1.0
|
CG
|
A:PRO206
|
4.4
|
34.4
|
1.0
|
CE2
|
A:PHE168
|
4.5
|
33.6
|
1.0
|
CE2
|
A:TRP107
|
4.5
|
29.8
|
1.0
|
CE1
|
A:PHE149
|
4.6
|
37.5
|
1.0
|
OD1
|
A:ASP106
|
4.8
|
31.3
|
1.0
|
CE1
|
A:PHE168
|
4.9
|
26.4
|
1.0
|
CG
|
A:PHE205
|
4.9
|
43.3
|
1.0
|
|
Chlorine binding site 2 out
of 5 in 6y7b
Go back to
Chlorine Binding Sites List in 6y7b
Chlorine binding site 2 out
of 5 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl302
b:41.5
occ:1.00
|
ND2
|
B:ASN41
|
3.3
|
32.4
|
1.0
|
NE1
|
B:TRP107
|
3.5
|
30.7
|
1.0
|
N
|
B:PRO206
|
3.5
|
30.5
|
1.0
|
CA
|
B:PRO206
|
3.7
|
37.7
|
1.0
|
CB
|
B:PHE205
|
3.8
|
35.2
|
1.0
|
CD
|
B:PRO206
|
3.8
|
36.1
|
1.0
|
C
|
B:PHE205
|
3.8
|
36.8
|
1.0
|
CD1
|
B:LEU209
|
3.9
|
32.6
|
1.0
|
CZ
|
B:PHE168
|
3.9
|
46.1
|
1.0
|
C24
|
B:OEK301
|
3.9
|
29.8
|
1.0
|
CD1
|
B:TRP107
|
4.0
|
33.5
|
1.0
|
CG
|
B:LEU209
|
4.0
|
34.3
|
1.0
|
CB
|
B:PRO206
|
4.1
|
40.8
|
1.0
|
C23
|
B:OEK301
|
4.1
|
28.5
|
1.0
|
O
|
B:PHE205
|
4.1
|
38.1
|
1.0
|
CD2
|
B:LEU209
|
4.1
|
35.4
|
1.0
|
CB
|
B:ASN41
|
4.1
|
35.2
|
1.0
|
CG
|
B:ASN41
|
4.2
|
42.3
|
1.0
|
C22
|
B:OEK301
|
4.3
|
34.1
|
1.0
|
CE2
|
B:PHE168
|
4.4
|
45.5
|
1.0
|
CA
|
B:PHE205
|
4.5
|
38.7
|
1.0
|
CG
|
B:PRO206
|
4.5
|
34.8
|
1.0
|
CE2
|
B:PHE149
|
4.6
|
43.9
|
1.0
|
CE2
|
B:TRP107
|
4.7
|
33.3
|
1.0
|
CE1
|
B:PHE168
|
4.7
|
44.1
|
1.0
|
OD1
|
B:ASP106
|
4.8
|
36.1
|
1.0
|
CG
|
B:PHE205
|
4.9
|
36.2
|
1.0
|
|
Chlorine binding site 3 out
of 5 in 6y7b
Go back to
Chlorine Binding Sites List in 6y7b
Chlorine binding site 3 out
of 5 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl302
b:40.7
occ:1.00
|
NE1
|
C:TRP107
|
3.1
|
47.7
|
1.0
|
ND2
|
C:ASN41
|
3.2
|
50.5
|
1.0
|
CD1
|
C:TRP107
|
3.6
|
44.0
|
1.0
|
C24
|
C:OEK301
|
3.7
|
40.4
|
1.0
|
N
|
C:PRO206
|
3.7
|
51.9
|
1.0
|
CB
|
C:PHE205
|
3.7
|
53.2
|
1.0
|
C23
|
C:OEK301
|
3.9
|
33.4
|
1.0
|
C
|
C:PHE205
|
3.9
|
58.4
|
1.0
|
CD
|
C:PRO206
|
3.9
|
54.9
|
1.0
|
CA
|
C:PRO206
|
4.0
|
50.2
|
1.0
|
CD1
|
C:LEU209
|
4.0
|
40.4
|
1.0
|
CD2
|
C:LEU209
|
4.0
|
33.1
|
1.0
|
CG
|
C:LEU209
|
4.0
|
39.3
|
1.0
|
CB
|
C:ASN41
|
4.1
|
52.6
|
1.0
|
CZ
|
C:PHE168
|
4.1
|
51.0
|
1.0
|
CG
|
C:ASN41
|
4.1
|
56.0
|
1.0
|
C22
|
C:OEK301
|
4.2
|
38.6
|
1.0
|
O
|
C:PHE205
|
4.3
|
64.4
|
1.0
|
CE2
|
C:TRP107
|
4.3
|
48.6
|
1.0
|
CB
|
C:PRO206
|
4.4
|
51.4
|
1.0
|
CA
|
C:PHE205
|
4.5
|
52.8
|
1.0
|
CE2
|
C:PHE168
|
4.7
|
57.6
|
1.0
|
CE2
|
C:PHE149
|
4.7
|
49.4
|
1.0
|
CG
|
C:PRO206
|
4.7
|
53.6
|
1.0
|
OD1
|
C:ASP106
|
4.8
|
50.2
|
1.0
|
OD2
|
C:ASP106
|
4.8
|
44.4
|
1.0
|
CG
|
C:PHE205
|
4.9
|
60.6
|
1.0
|
CZ2
|
C:TRP107
|
4.9
|
44.5
|
1.0
|
CE1
|
C:PHE168
|
5.0
|
50.5
|
1.0
|
CG
|
C:TRP107
|
5.0
|
49.9
|
1.0
|
|
Chlorine binding site 4 out
of 5 in 6y7b
Go back to
Chlorine Binding Sites List in 6y7b
Chlorine binding site 4 out
of 5 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl302
b:46.5
occ:1.00
|
NE1
|
D:TRP107
|
3.2
|
34.3
|
1.0
|
ND2
|
D:ASN41
|
3.3
|
36.1
|
1.0
|
N
|
D:PRO206
|
3.6
|
32.1
|
1.0
|
CD1
|
D:TRP107
|
3.7
|
41.5
|
1.0
|
CB
|
D:PHE205
|
3.7
|
38.7
|
1.0
|
CD1
|
D:LEU209
|
3.8
|
41.6
|
1.0
|
C
|
D:PHE205
|
3.9
|
42.3
|
1.0
|
CZ
|
D:PHE168
|
3.9
|
38.1
|
1.0
|
CA
|
D:PRO206
|
3.9
|
37.6
|
1.0
|
CD
|
D:PRO206
|
3.9
|
31.6
|
1.0
|
CB
|
D:ASN41
|
4.0
|
41.9
|
1.0
|
CG
|
D:LEU209
|
4.0
|
46.0
|
1.0
|
CD2
|
D:LEU209
|
4.0
|
36.5
|
1.0
|
C24
|
D:OEK301
|
4.0
|
33.5
|
1.0
|
CG
|
D:ASN41
|
4.1
|
35.8
|
1.0
|
O
|
D:PHE205
|
4.2
|
46.4
|
1.0
|
C23
|
D:OEK301
|
4.2
|
24.0
|
1.0
|
CB
|
D:PRO206
|
4.3
|
39.0
|
1.0
|
CE2
|
D:PHE168
|
4.4
|
38.2
|
1.0
|
CE2
|
D:TRP107
|
4.4
|
36.0
|
1.0
|
CA
|
D:PHE205
|
4.4
|
43.9
|
1.0
|
C22
|
D:OEK301
|
4.5
|
27.6
|
1.0
|
CE2
|
D:PHE149
|
4.7
|
39.4
|
1.0
|
CG
|
D:PRO206
|
4.7
|
37.8
|
1.0
|
CE1
|
D:PHE168
|
4.7
|
43.1
|
1.0
|
CG
|
D:PHE205
|
4.8
|
46.1
|
1.0
|
OD1
|
D:ASP106
|
4.9
|
51.5
|
1.0
|
CG
|
D:TRP107
|
5.0
|
47.7
|
1.0
|
|
Chlorine binding site 5 out
of 5 in 6y7b
Go back to
Chlorine Binding Sites List in 6y7b
Chlorine binding site 5 out
of 5 in the X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl302
b:58.4
occ:1.00
|
NE1
|
E:TRP107
|
2.9
|
55.3
|
1.0
|
CD1
|
E:TRP107
|
3.4
|
71.1
|
1.0
|
CB
|
E:PHE205
|
3.5
|
81.1
|
1.0
|
N
|
E:PRO206
|
3.7
|
74.0
|
1.0
|
ND2
|
E:ASN41
|
3.7
|
77.3
|
1.0
|
CD1
|
E:LEU209
|
3.8
|
51.1
|
1.0
|
C
|
E:PHE205
|
3.9
|
74.4
|
1.0
|
C24
|
E:OEK301
|
3.9
|
55.4
|
1.0
|
CG
|
E:LEU209
|
3.9
|
58.1
|
1.0
|
CD
|
E:PRO206
|
4.0
|
60.9
|
1.0
|
CD2
|
E:LEU209
|
4.0
|
56.3
|
1.0
|
CA
|
E:PRO206
|
4.1
|
63.1
|
1.0
|
C23
|
E:OEK301
|
4.1
|
42.0
|
1.0
|
CZ
|
E:PHE168
|
4.2
|
69.6
|
1.0
|
CE2
|
E:TRP107
|
4.2
|
60.9
|
1.0
|
O
|
E:PHE205
|
4.2
|
56.2
|
1.0
|
CB
|
E:ASN41
|
4.3
|
85.1
|
1.0
|
CA
|
E:PHE205
|
4.3
|
76.6
|
1.0
|
C22
|
E:OEK301
|
4.5
|
44.1
|
1.0
|
CG
|
E:ASN41
|
4.5
|
77.3
|
1.0
|
CB
|
E:PRO206
|
4.6
|
61.2
|
1.0
|
CG
|
E:PHE205
|
4.6
|
80.4
|
1.0
|
OD2
|
E:ASP106
|
4.6
|
68.9
|
1.0
|
CG
|
E:TRP107
|
4.7
|
74.2
|
1.0
|
OD1
|
E:ASP106
|
4.8
|
51.6
|
1.0
|
CG
|
E:PRO206
|
4.9
|
66.9
|
1.0
|
CE2
|
E:PHE149
|
4.9
|
53.3
|
1.0
|
CE2
|
E:PHE168
|
4.9
|
69.7
|
1.0
|
CZ2
|
E:TRP107
|
4.9
|
64.7
|
1.0
|
|
Reference:
M.Tarnawski,
K.Johnsson,
J.Hiblot.
X-Ray Structure of the Haloalkane Dehalogenase HALOTAG7 Labeled with A Chloroalkane-Carbopyronine Fluorophore Substrate To Be Published.
Page generated: Mon Jul 29 17:31:42 2024
|