Chlorine in PDB 4uow: Crystal Structure of the Titin M10-Obscurin Ig Domain 1 Complex
Enzymatic activity of Crystal Structure of the Titin M10-Obscurin Ig Domain 1 Complex
All present enzymatic activity of Crystal Structure of the Titin M10-Obscurin Ig Domain 1 Complex:
2.7.11.1;
Protein crystallography data
The structure of Crystal Structure of the Titin M10-Obscurin Ig Domain 1 Complex, PDB code: 4uow
was solved by
S.Pernigo,
A.Fukuzawa,
M.Gautel,
R.A.Steiner,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
39.43 /
3.30
|
Space group
|
P 32 2 1 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
201.560,
201.560,
183.960,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
17.7 /
20.97
|
Other elements in 4uow:
The structure of Crystal Structure of the Titin M10-Obscurin Ig Domain 1 Complex also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of the Titin M10-Obscurin Ig Domain 1 Complex
(pdb code 4uow). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the
Crystal Structure of the Titin M10-Obscurin Ig Domain 1 Complex, PDB code: 4uow:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Chlorine binding site 1 out
of 8 in 4uow
Go back to
Chlorine Binding Sites List in 4uow
Chlorine binding site 1 out
of 8 in the Crystal Structure of the Titin M10-Obscurin Ig Domain 1 Complex
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 the Titin M10-Obscurin Ig Domain 1 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl201
b:37.6
occ:1.00
|
N
|
A:SER15
|
3.6
|
36.2
|
1.0
|
CE2
|
B:PHE92
|
3.6
|
36.4
|
1.0
|
CZ
|
B:PHE92
|
3.9
|
36.9
|
1.0
|
CA
|
A:ILE14
|
3.9
|
36.1
|
1.0
|
OE2
|
B:GLU44
|
4.0
|
88.3
|
1.0
|
O
|
A:ASP13
|
4.2
|
46.9
|
1.0
|
C
|
A:ILE14
|
4.2
|
39.6
|
1.0
|
CD
|
B:ARG83
|
4.3
|
30.8
|
1.0
|
NH1
|
B:ARG83
|
4.3
|
57.0
|
1.0
|
O
|
A:SER15
|
4.5
|
42.0
|
1.0
|
OG
|
A:SER15
|
4.5
|
45.8
|
1.0
|
CB
|
A:ILE14
|
4.6
|
36.4
|
1.0
|
CA
|
A:SER15
|
4.6
|
36.9
|
1.0
|
CB
|
A:SER15
|
4.7
|
40.2
|
1.0
|
N
|
A:ILE14
|
4.8
|
38.8
|
1.0
|
CD
|
B:GLU44
|
4.8
|
82.9
|
1.0
|
CD2
|
B:PHE92
|
4.8
|
35.1
|
1.0
|
CG2
|
A:ILE14
|
4.8
|
37.0
|
1.0
|
C
|
A:ASP13
|
4.9
|
46.9
|
1.0
|
OE1
|
B:GLU44
|
5.0
|
81.8
|
1.0
|
|
Chlorine binding site 2 out
of 8 in 4uow
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Chlorine Binding Sites List in 4uow
Chlorine binding site 2 out
of 8 in the Crystal Structure of the Titin M10-Obscurin Ig Domain 1 Complex
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 the Titin M10-Obscurin Ig Domain 1 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl201
b:52.4
occ:1.00
|
CE2
|
F:PHE92
|
3.4
|
33.2
|
1.0
|
N
|
E:SER15
|
3.5
|
40.7
|
1.0
|
CZ
|
F:PHE92
|
3.7
|
34.0
|
1.0
|
CA
|
E:ILE14
|
3.8
|
39.2
|
1.0
|
OE2
|
F:GLU44
|
4.0
|
74.9
|
1.0
|
C
|
E:ILE14
|
4.1
|
44.1
|
1.0
|
O
|
E:ASP13
|
4.2
|
43.7
|
1.0
|
CD
|
F:ARG83
|
4.3
|
32.9
|
1.0
|
O
|
E:SER15
|
4.4
|
44.7
|
1.0
|
CB
|
E:ILE14
|
4.4
|
40.0
|
1.0
|
CA
|
E:SER15
|
4.5
|
41.7
|
1.0
|
NH1
|
F:ARG83
|
4.5
|
29.6
|
1.0
|
CB
|
E:SER15
|
4.6
|
46.7
|
1.0
|
CD2
|
F:PHE92
|
4.6
|
31.9
|
1.0
|
OG
|
E:SER15
|
4.6
|
57.9
|
1.0
|
CG2
|
E:ILE14
|
4.7
|
39.4
|
1.0
|
N
|
E:ILE14
|
4.7
|
40.9
|
1.0
|
CD
|
F:GLU44
|
4.8
|
81.9
|
1.0
|
C
|
E:ASP13
|
4.8
|
45.3
|
1.0
|
CE1
|
F:PHE92
|
5.0
|
36.6
|
1.0
|
C
|
E:SER15
|
5.0
|
45.2
|
1.0
|
OE1
|
F:GLU44
|
5.0
|
88.3
|
1.0
|
|
Chlorine binding site 3 out
of 8 in 4uow
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Chlorine Binding Sites List in 4uow
Chlorine binding site 3 out
of 8 in the Crystal Structure of the Titin M10-Obscurin Ig Domain 1 Complex
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 the Titin M10-Obscurin Ig Domain 1 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
M:Cl201
b:40.4
occ:1.00
|
N
|
M:SER15
|
3.3
|
36.8
|
1.0
|
CE2
|
N:PHE92
|
3.6
|
29.8
|
1.0
|
CZ
|
N:PHE92
|
3.7
|
30.9
|
1.0
|
O
|
M:SER15
|
3.9
|
39.0
|
1.0
|
NH1
|
N:ARG83
|
4.0
|
49.0
|
1.0
|
CD
|
N:ARG83
|
4.0
|
28.3
|
1.0
|
CA
|
M:ILE14
|
4.0
|
37.3
|
1.0
|
CB
|
M:SER15
|
4.1
|
39.7
|
1.0
|
C
|
M:ILE14
|
4.1
|
41.2
|
1.0
|
CA
|
M:SER15
|
4.2
|
36.2
|
1.0
|
OG
|
M:SER15
|
4.2
|
48.9
|
1.0
|
C
|
M:SER15
|
4.5
|
39.5
|
1.0
|
NH2
|
M:ARG97
|
4.7
|
59.3
|
1.0
|
OE1
|
N:GLU90
|
4.7
|
44.2
|
1.0
|
OE2
|
N:GLU44
|
4.7
|
85.9
|
1.0
|
O
|
M:ASP13
|
4.7
|
45.1
|
1.0
|
CB
|
M:ILE14
|
4.7
|
39.7
|
1.0
|
CZ
|
N:ARG83
|
4.8
|
62.3
|
1.0
|
NE
|
N:ARG83
|
4.8
|
47.6
|
1.0
|
CD2
|
N:PHE92
|
4.9
|
28.6
|
1.0
|
CE1
|
N:PHE92
|
5.0
|
34.2
|
1.0
|
|
Chlorine binding site 4 out
of 8 in 4uow
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Chlorine Binding Sites List in 4uow
Chlorine binding site 4 out
of 8 in the Crystal Structure of the Titin M10-Obscurin Ig Domain 1 Complex
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 the Titin M10-Obscurin Ig Domain 1 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
O:Cl201
b:37.3
occ:1.00
|
N
|
0:SER15
|
3.5
|
45.0
|
1.0
|
CE2
|
1:PHE92
|
3.6
|
42.0
|
1.0
|
CZ
|
1:PHE92
|
3.9
|
42.3
|
1.0
|
CA
|
0:ILE14
|
3.9
|
45.7
|
1.0
|
OE2
|
1:GLU44
|
4.1
|
88.1
|
1.0
|
C
|
0:ILE14
|
4.2
|
50.0
|
1.0
|
O
|
0:ASP13
|
4.3
|
56.0
|
1.0
|
CD
|
1:ARG83
|
4.4
|
26.6
|
1.0
|
NH1
|
1:ARG83
|
4.4
|
30.4
|
1.0
|
O
|
0:SER15
|
4.4
|
47.9
|
1.0
|
CB
|
0:SER15
|
4.5
|
50.8
|
1.0
|
CA
|
0:SER15
|
4.5
|
45.9
|
1.0
|
CB
|
0:ILE14
|
4.6
|
45.7
|
1.0
|
OG
|
0:SER15
|
4.6
|
58.8
|
1.0
|
N
|
0:ILE14
|
4.8
|
49.0
|
1.0
|
CG2
|
0:ILE14
|
4.8
|
44.9
|
1.0
|
CD2
|
1:PHE92
|
4.8
|
40.2
|
1.0
|
CD
|
1:GLU44
|
4.9
|
85.1
|
1.0
|
C
|
0:ASP13
|
4.9
|
55.9
|
1.0
|
C
|
0:SER15
|
5.0
|
49.1
|
1.0
|
|
Chlorine binding site 5 out
of 8 in 4uow
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Chlorine Binding Sites List in 4uow
Chlorine binding site 5 out
of 8 in the Crystal Structure of the Titin M10-Obscurin Ig Domain 1 Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Crystal Structure of the Titin M10-Obscurin Ig Domain 1 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
Q:Cl201
b:55.0
occ:1.00
|
OG
|
Q:SER12
|
3.0
|
67.9
|
1.0
|
N
|
Q:SER12
|
3.0
|
49.7
|
1.0
|
NE2
|
R:GLN79
|
3.2
|
62.3
|
1.0
|
CG2
|
R:VAL81
|
3.4
|
32.6
|
1.0
|
OE1
|
R:GLN47
|
3.5
|
78.2
|
1.0
|
CA
|
Q:PRO11
|
3.5
|
47.7
|
1.0
|
C
|
Q:PRO11
|
3.8
|
50.2
|
1.0
|
CB
|
Q:SER12
|
3.8
|
58.6
|
1.0
|
CG
|
R:GLN47
|
4.0
|
59.1
|
1.0
|
CA
|
Q:SER12
|
4.0
|
51.1
|
1.0
|
CB
|
Q:PRO11
|
4.1
|
48.9
|
1.0
|
CD
|
R:GLN47
|
4.2
|
80.1
|
1.0
|
CD
|
R:GLN79
|
4.4
|
69.8
|
1.0
|
N
|
R:GLN47
|
4.5
|
40.6
|
1.0
|
O
|
Q:LEU10
|
4.7
|
53.5
|
1.0
|
CB
|
R:VAL81
|
4.7
|
30.3
|
1.0
|
N
|
Q:PRO11
|
4.7
|
46.5
|
1.0
|
N
|
Q:ASP13
|
4.8
|
51.5
|
1.0
|
CG
|
R:GLN79
|
4.9
|
51.3
|
1.0
|
CB
|
R:GLN79
|
5.0
|
38.0
|
1.0
|
O
|
R:GLN79
|
5.0
|
34.0
|
1.0
|
O
|
Q:PRO11
|
5.0
|
47.0
|
1.0
|
C
|
Q:SER12
|
5.0
|
53.4
|
1.0
|
|
Chlorine binding site 6 out
of 8 in 4uow
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Chlorine Binding Sites List in 4uow
Chlorine binding site 6 out
of 8 in the Crystal Structure of the Titin M10-Obscurin Ig Domain 1 Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Crystal Structure of the Titin M10-Obscurin Ig Domain 1 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
T:Cl201
b:54.9
occ:1.00
|
NE2
|
T:GLN47
|
3.3
|
56.6
|
1.0
|
OG
|
S:SER12
|
3.3
|
59.5
|
1.0
|
CG2
|
T:VAL81
|
3.5
|
33.0
|
1.0
|
CG
|
T:GLN47
|
3.6
|
41.3
|
1.0
|
N
|
T:GLN47
|
3.7
|
33.3
|
1.0
|
NE2
|
T:GLN79
|
3.7
|
50.5
|
1.0
|
N
|
S:SER12
|
3.9
|
40.9
|
1.0
|
CD
|
T:GLN47
|
3.9
|
66.0
|
1.0
|
CB
|
S:SER12
|
4.2
|
47.7
|
1.0
|
CA
|
T:GLN47
|
4.3
|
33.9
|
1.0
|
O
|
T:GLN79
|
4.3
|
31.7
|
1.0
|
CA
|
T:ASP46
|
4.4
|
31.9
|
1.0
|
CA
|
S:PRO11
|
4.4
|
36.4
|
1.0
|
C
|
T:ASP46
|
4.4
|
36.1
|
1.0
|
CB
|
T:GLN47
|
4.4
|
36.6
|
1.0
|
C
|
S:PRO11
|
4.7
|
41.5
|
1.0
|
N
|
T:ASP46
|
4.7
|
31.0
|
1.0
|
CB
|
T:VAL81
|
4.7
|
31.5
|
1.0
|
CD
|
T:GLN79
|
4.7
|
63.4
|
1.0
|
CA
|
S:SER12
|
4.7
|
42.2
|
1.0
|
CB
|
T:GLN79
|
4.8
|
32.4
|
1.0
|
CB
|
S:PRO11
|
4.8
|
37.0
|
1.0
|
CG
|
T:GLN79
|
4.9
|
47.7
|
1.0
|
|
Chlorine binding site 7 out
of 8 in 4uow
Go back to
Chlorine Binding Sites List in 4uow
Chlorine binding site 7 out
of 8 in the Crystal Structure of the Titin M10-Obscurin Ig Domain 1 Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Crystal Structure of the Titin M10-Obscurin Ig Domain 1 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
W:Cl201
b:45.1
occ:1.00
|
N
|
W:SER15
|
3.4
|
35.0
|
1.0
|
CE2
|
X:PHE92
|
3.5
|
36.3
|
1.0
|
CZ
|
X:PHE92
|
3.6
|
36.6
|
1.0
|
CA
|
W:ILE14
|
3.8
|
34.4
|
1.0
|
C
|
W:ILE14
|
4.1
|
39.5
|
1.0
|
CD
|
X:ARG83
|
4.1
|
39.8
|
1.0
|
O
|
W:SER15
|
4.2
|
35.5
|
1.0
|
OE2
|
X:GLU44
|
4.3
|
91.4
|
1.0
|
NH1
|
X:ARG83
|
4.3
|
17.6
|
1.0
|
O
|
W:ASP13
|
4.3
|
41.2
|
1.0
|
CA
|
W:SER15
|
4.4
|
34.9
|
1.0
|
CB
|
W:SER15
|
4.4
|
38.8
|
1.0
|
CB
|
W:ILE14
|
4.5
|
35.4
|
1.0
|
OG
|
W:SER15
|
4.5
|
47.1
|
1.0
|
CD2
|
X:PHE92
|
4.7
|
34.4
|
1.0
|
N
|
W:ILE14
|
4.8
|
36.7
|
1.0
|
C
|
W:SER15
|
4.8
|
36.9
|
1.0
|
CG2
|
W:ILE14
|
4.8
|
35.8
|
1.0
|
CE1
|
X:PHE92
|
4.9
|
38.3
|
1.0
|
OE1
|
X:GLU90
|
4.9
|
47.3
|
1.0
|
C
|
W:ASP13
|
4.9
|
42.5
|
1.0
|
|
Chlorine binding site 8 out
of 8 in 4uow
Go back to
Chlorine Binding Sites List in 4uow
Chlorine binding site 8 out
of 8 in the Crystal Structure of the Titin M10-Obscurin Ig Domain 1 Complex
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Crystal Structure of the Titin M10-Obscurin Ig Domain 1 Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
Y:Cl201
b:46.0
occ:1.00
|
N
|
Y:SER15
|
3.3
|
46.7
|
1.0
|
CE2
|
Z:PHE92
|
3.5
|
30.6
|
1.0
|
CZ
|
Z:PHE92
|
3.7
|
30.6
|
1.0
|
CA
|
Y:ILE14
|
3.8
|
47.9
|
1.0
|
C
|
Y:ILE14
|
4.0
|
51.5
|
1.0
|
O
|
Y:SER15
|
4.2
|
49.1
|
1.0
|
CB
|
Y:SER15
|
4.2
|
50.1
|
1.0
|
CA
|
Y:SER15
|
4.3
|
46.6
|
1.0
|
CD
|
Z:ARG83
|
4.3
|
26.0
|
1.0
|
OE2
|
Z:GLU44
|
4.3
|
87.2
|
1.0
|
OG
|
Y:SER15
|
4.4
|
57.1
|
1.0
|
O
|
Y:ASP13
|
4.4
|
58.3
|
1.0
|
NH1
|
Z:ARG83
|
4.4
|
15.1
|
1.0
|
CB
|
Y:ILE14
|
4.5
|
49.1
|
1.0
|
C
|
Y:SER15
|
4.7
|
49.5
|
1.0
|
N
|
Y:ILE14
|
4.8
|
50.2
|
1.0
|
CD2
|
Z:PHE92
|
4.8
|
29.8
|
1.0
|
CG2
|
Y:ILE14
|
4.8
|
48.6
|
1.0
|
CE1
|
Z:PHE92
|
4.9
|
33.7
|
1.0
|
OE1
|
Z:GLU90
|
4.9
|
44.6
|
1.0
|
C
|
Y:ASP13
|
5.0
|
57.4
|
1.0
|
NH2
|
Y:ARG97
|
5.0
|
65.9
|
1.0
|
|
Reference:
S.Pernigo,
A.Fukuzawa,
A.Pandini,
M.Holt,
J.Kleinjung,
M.Gautel,
R.A.Steiner.
The Crystal Structure of the Human Titin:Obscurin Complex Reveals A Conserved Yet Specific Muscle M-Band Zipper Module. J.Mol.Biol. 2014.
ISSN: ESSN 1089-8638
PubMed: 25490259
DOI: 10.1016/J.JMB.2014.11.019
Page generated: Fri Jul 26 02:23:21 2024
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