Chlorine in PDB 7v0b: Crystal Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad
Enzymatic activity of Crystal Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad
All present enzymatic activity of Crystal Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad:
1.14.19.49;
Protein crystallography data
The structure of Crystal Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad, PDB code: 7v0b
was solved by
C.Hou,
O.V.Tsodikov,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
35.00 /
2.15
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
62.764,
103.576,
179.216,
90,
95.4,
90
|
R / Rfree (%)
|
18.8 /
23.3
|
Other elements in 7v0b:
The structure of Crystal Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad
(pdb code 7v0b). 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 Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad, PDB code: 7v0b:
Jump to Chlorine binding site number:
1;
2;
3;
4;
Chlorine binding site 1 out
of 4 in 7v0b
Go back to
Chlorine Binding Sites List in 7v0b
Chlorine binding site 1 out
of 4 in the Crystal Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl603
b:49.5
occ:1.00
|
O
|
A:ASP344
|
2.9
|
19.8
|
1.0
|
N
|
A:GLY350
|
2.9
|
23.1
|
1.0
|
N1
|
A:FAD601
|
3.3
|
50.3
|
1.0
|
C10
|
A:FAD601
|
3.4
|
51.9
|
1.0
|
CA
|
A:GLY350
|
3.4
|
23.4
|
1.0
|
N
|
A:ARG349
|
3.4
|
23.4
|
1.0
|
O
|
A:HOH800
|
3.6
|
29.8
|
1.0
|
O
|
A:HOH900
|
3.6
|
28.6
|
1.0
|
N10
|
A:FAD601
|
3.7
|
51.9
|
1.0
|
C2
|
A:FAD601
|
3.8
|
48.6
|
1.0
|
CA
|
A:PRO345
|
3.8
|
21.2
|
1.0
|
O
|
A:PRO345
|
3.9
|
19.8
|
1.0
|
C
|
A:ASP344
|
3.9
|
20.5
|
1.0
|
C
|
A:ARG349
|
3.9
|
23.5
|
1.0
|
C4X
|
A:FAD601
|
4.0
|
52.9
|
1.0
|
C
|
A:SER348
|
4.0
|
22.9
|
1.0
|
CA
|
A:SER348
|
4.0
|
22.6
|
1.0
|
C1'
|
A:FAD601
|
4.0
|
54.2
|
1.0
|
C
|
A:PRO345
|
4.0
|
20.4
|
1.0
|
CA
|
A:ARG349
|
4.1
|
23.2
|
1.0
|
N
|
A:PRO345
|
4.3
|
20.7
|
1.0
|
CE1
|
A:PHE342
|
4.3
|
26.7
|
1.0
|
N3
|
A:FAD601
|
4.3
|
53.0
|
1.0
|
O2
|
A:FAD601
|
4.4
|
46.0
|
1.0
|
C4
|
A:FAD601
|
4.4
|
53.0
|
1.0
|
CB
|
A:ARG349
|
4.4
|
22.8
|
1.0
|
N
|
A:SER348
|
4.5
|
21.3
|
1.0
|
C9A
|
A:FAD601
|
4.5
|
51.6
|
1.0
|
N5
|
A:FAD601
|
4.7
|
52.4
|
1.0
|
C
|
A:GLY350
|
4.8
|
23.1
|
1.0
|
O
|
A:LEU346
|
4.9
|
20.3
|
1.0
|
C5X
|
A:FAD601
|
4.9
|
52.0
|
1.0
|
CZ
|
A:PHE342
|
4.9
|
25.7
|
1.0
|
O
|
A:SER348
|
4.9
|
22.7
|
1.0
|
N
|
A:LEU346
|
4.9
|
20.2
|
1.0
|
|
Chlorine binding site 2 out
of 4 in 7v0b
Go back to
Chlorine Binding Sites List in 7v0b
Chlorine binding site 2 out
of 4 in the Crystal Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl604
b:65.7
occ:1.00
|
O
|
B:ASP344
|
2.9
|
20.9
|
1.0
|
N
|
B:GLY350
|
2.9
|
23.5
|
1.0
|
N
|
B:ARG349
|
3.1
|
24.7
|
1.0
|
C10
|
B:FAD601
|
3.4
|
46.6
|
1.0
|
N1
|
B:FAD601
|
3.4
|
44.4
|
1.0
|
O
|
B:HOH722
|
3.4
|
26.6
|
1.0
|
CA
|
B:GLY350
|
3.6
|
22.9
|
1.0
|
C
|
B:SER348
|
3.7
|
24.1
|
1.0
|
CA
|
B:PRO345
|
3.7
|
22.1
|
1.0
|
N10
|
B:FAD601
|
3.7
|
46.2
|
1.0
|
CA
|
B:SER348
|
3.7
|
23.8
|
1.0
|
O
|
B:PRO345
|
3.7
|
22.1
|
1.0
|
C
|
B:PRO345
|
3.8
|
21.8
|
1.0
|
C2
|
B:FAD601
|
3.8
|
41.9
|
1.0
|
C
|
B:ARG349
|
3.9
|
24.0
|
1.0
|
C4X
|
B:FAD601
|
3.9
|
46.1
|
1.0
|
C
|
B:ASP344
|
3.9
|
21.3
|
1.0
|
CA
|
B:ARG349
|
3.9
|
23.9
|
1.0
|
O
|
B:HOH852
|
3.9
|
27.9
|
1.0
|
C1'
|
B:FAD601
|
4.1
|
47.9
|
1.0
|
N
|
B:SER348
|
4.1
|
22.9
|
1.0
|
N
|
B:PRO345
|
4.2
|
22.4
|
1.0
|
N3
|
B:FAD601
|
4.3
|
43.9
|
1.0
|
C4
|
B:FAD601
|
4.3
|
45.1
|
1.0
|
CB
|
B:ARG349
|
4.3
|
24.9
|
1.0
|
C9A
|
B:FAD601
|
4.4
|
46.5
|
1.0
|
O2
|
B:FAD601
|
4.4
|
41.0
|
1.0
|
CE1
|
B:PHE342
|
4.5
|
22.6
|
1.0
|
N5
|
B:FAD601
|
4.5
|
47.0
|
1.0
|
O
|
B:LEU346
|
4.6
|
20.8
|
1.0
|
O
|
B:SER348
|
4.6
|
25.2
|
1.0
|
N
|
B:LEU346
|
4.7
|
21.4
|
1.0
|
C5X
|
B:FAD601
|
4.8
|
46.4
|
1.0
|
C
|
B:GLY350
|
5.0
|
23.4
|
1.0
|
CB
|
B:PRO345
|
5.0
|
22.8
|
1.0
|
|
Chlorine binding site 3 out
of 4 in 7v0b
Go back to
Chlorine Binding Sites List in 7v0b
Chlorine binding site 3 out
of 4 in the Crystal Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl605
b:60.0
occ:1.00
|
O
|
C:ASP344
|
2.9
|
20.8
|
1.0
|
N
|
C:GLY350
|
3.0
|
24.8
|
1.0
|
N1
|
C:FAD601
|
3.4
|
54.2
|
1.0
|
C10
|
C:FAD601
|
3.4
|
57.5
|
1.0
|
N
|
C:ARG349
|
3.5
|
25.4
|
1.0
|
CA
|
C:GLY350
|
3.5
|
24.2
|
1.0
|
O
|
C:HOH705
|
3.6
|
29.9
|
1.0
|
CA
|
C:PRO345
|
3.6
|
23.7
|
1.0
|
N10
|
C:FAD601
|
3.7
|
57.9
|
1.0
|
O
|
C:PRO345
|
3.8
|
25.5
|
1.0
|
C
|
C:ASP344
|
3.9
|
22.3
|
1.0
|
C2
|
C:FAD601
|
3.9
|
52.5
|
1.0
|
C
|
C:PRO345
|
3.9
|
24.6
|
1.0
|
C4X
|
C:FAD601
|
3.9
|
57.7
|
1.0
|
C
|
C:ARG349
|
4.0
|
25.2
|
1.0
|
CE1
|
C:PHE342
|
4.0
|
30.5
|
1.0
|
O
|
C:HOH780
|
4.0
|
29.9
|
1.0
|
C
|
C:SER348
|
4.0
|
25.5
|
1.0
|
C1'
|
C:FAD601
|
4.0
|
61.8
|
1.0
|
CA
|
C:SER348
|
4.1
|
24.5
|
1.0
|
N
|
C:PRO345
|
4.1
|
22.8
|
1.0
|
CA
|
C:ARG349
|
4.2
|
25.3
|
1.0
|
N3
|
C:FAD601
|
4.3
|
55.0
|
1.0
|
C4
|
C:FAD601
|
4.4
|
57.7
|
1.0
|
C9A
|
C:FAD601
|
4.4
|
57.4
|
1.0
|
O2
|
C:FAD601
|
4.4
|
51.5
|
1.0
|
N
|
C:SER348
|
4.5
|
24.4
|
1.0
|
CB
|
C:ARG349
|
4.5
|
25.0
|
1.0
|
N5
|
C:FAD601
|
4.6
|
57.1
|
1.0
|
CZ
|
C:PHE342
|
4.7
|
30.0
|
1.0
|
N
|
C:LEU346
|
4.8
|
24.0
|
1.0
|
C5X
|
C:FAD601
|
4.8
|
56.1
|
1.0
|
C
|
C:GLY350
|
4.9
|
24.5
|
1.0
|
CD1
|
C:PHE342
|
4.9
|
30.1
|
1.0
|
O
|
C:LEU346
|
4.9
|
24.6
|
1.0
|
CB
|
C:PRO345
|
4.9
|
23.5
|
1.0
|
O
|
C:SER348
|
5.0
|
25.9
|
1.0
|
|
Chlorine binding site 4 out
of 4 in 7v0b
Go back to
Chlorine Binding Sites List in 7v0b
Chlorine binding site 4 out
of 4 in the Crystal Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of Halogenase Ctcp From Kitasatospora Aureofaciens in Complex with Fad within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl602
b:60.0
occ:1.00
|
N
|
D:GLY350
|
2.9
|
30.8
|
1.0
|
O
|
D:ASP344
|
3.0
|
28.4
|
1.0
|
N
|
D:ARG349
|
3.1
|
31.8
|
1.0
|
N1
|
D:FAD601
|
3.3
|
46.6
|
1.0
|
C10
|
D:FAD601
|
3.3
|
48.3
|
1.0
|
O
|
D:PRO345
|
3.6
|
32.4
|
1.0
|
CA
|
D:GLY350
|
3.6
|
31.3
|
1.0
|
C
|
D:SER348
|
3.6
|
31.4
|
1.0
|
CA
|
D:SER348
|
3.7
|
30.7
|
1.0
|
N10
|
D:FAD601
|
3.7
|
47.6
|
1.0
|
C2
|
D:FAD601
|
3.8
|
47.1
|
1.0
|
CA
|
D:PRO345
|
3.8
|
31.4
|
1.0
|
C
|
D:ARG349
|
3.9
|
31.5
|
1.0
|
C4X
|
D:FAD601
|
3.9
|
47.6
|
1.0
|
C
|
D:PRO345
|
3.9
|
32.0
|
1.0
|
CA
|
D:ARG349
|
4.0
|
32.3
|
1.0
|
C1'
|
D:FAD601
|
4.0
|
50.8
|
1.0
|
C
|
D:ASP344
|
4.0
|
29.4
|
1.0
|
O
|
D:HOH713
|
4.0
|
28.4
|
1.0
|
N
|
D:SER348
|
4.1
|
30.4
|
1.0
|
CE1
|
D:PHE342
|
4.2
|
34.9
|
1.0
|
N3
|
D:FAD601
|
4.3
|
45.7
|
1.0
|
N
|
D:PRO345
|
4.3
|
30.6
|
1.0
|
O2
|
D:FAD601
|
4.4
|
48.7
|
1.0
|
C4
|
D:FAD601
|
4.4
|
47.4
|
1.0
|
CB
|
D:ARG349
|
4.4
|
33.1
|
1.0
|
C9A
|
D:FAD601
|
4.4
|
46.3
|
1.0
|
N5
|
D:FAD601
|
4.6
|
47.2
|
1.0
|
O
|
D:SER348
|
4.7
|
31.3
|
1.0
|
CZ
|
D:PHE342
|
4.8
|
34.7
|
1.0
|
O
|
D:LEU346
|
4.8
|
31.9
|
1.0
|
C5X
|
D:FAD601
|
4.8
|
45.9
|
1.0
|
C
|
D:GLY350
|
4.9
|
31.1
|
1.0
|
CB
|
D:SER348
|
5.0
|
30.8
|
1.0
|
N
|
D:LEU346
|
5.0
|
32.1
|
1.0
|
|
Reference:
C.Hou,
S.Garneau-Tsodikova,
O.V.Tsodikov.
Crystal Structures and Complex Formation of Halogenase Ctcp and Fad Reductase Ctcq From the Chlortetracycline Biosynthetic Pathway To Be Published.
Page generated: Tue Jul 30 05:13:56 2024
|