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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:

Sodium (Na) 1 atom

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

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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 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 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 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 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 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

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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

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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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