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Chlorine in PDB 5dow: Solution of the Variably-Twinned Structure of A Novel Calmodulin- Peptide Complex in A Novel Configuration

Protein crystallography data

The structure of Solution of the Variably-Twinned Structure of A Novel Calmodulin- Peptide Complex in A Novel Configuration, PDB code: 5dow was solved by J.P.Keller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.81 / 1.70
Space group P 32 1 2
Cell size a, b, c (Å), α, β, γ (°) 98.874, 98.874, 128.583, 90.00, 90.00, 120.00
R / Rfree (%) 9.7 / 14.1

Other elements in 5dow:

The structure of Solution of the Variably-Twinned Structure of A Novel Calmodulin- Peptide Complex in A Novel Configuration also contains other interesting chemical elements:

Calcium (Ca) 16 atoms
Sodium (Na) 5 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Chlorine atom in the Solution of the Variably-Twinned Structure of A Novel Calmodulin- Peptide Complex in A Novel Configuration (pdb code 5dow). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the Solution of the Variably-Twinned Structure of A Novel Calmodulin- Peptide Complex in A Novel Configuration, PDB code: 5dow:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in 5dow

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Chlorine binding site 1 out of 11 in the Solution of the Variably-Twinned Structure of A Novel Calmodulin- Peptide Complex in A Novel Configuration


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Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Solution of the Variably-Twinned Structure of A Novel Calmodulin- Peptide Complex in A Novel Configuration within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:26.1
occ:0.98
 O A:HOH501 2.9 28.4 1.0
N A:GLU7 3.2 13.3 1.0
CA A:THR6 3.7 14.9 1.0
CB A:THR6 3.7 15.2 1.0
C A:THR6 3.9 13.2 1.0
CB A:GLU7 4.1 15.2 1.0
CG2 A:THR6 4.2 16.5 1.0
CA A:GLU7 4.2 13.9 1.0
NA A:NA207 4.4 43.9 1.0
OG1 A:THR6 4.9 15.6 1.0
O A:HOH344 5.0 16.4 1.0

Chlorine binding site 2 out of 11 in 5dow

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Chlorine binding site 2 out of 11 in the Solution of the Variably-Twinned Structure of A Novel Calmodulin- Peptide Complex in A Novel Configuration


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Solution of the Variably-Twinned Structure of A Novel Calmodulin- Peptide Complex in A Novel Configuration within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl205

b:26.3
occ:0.67
 O A:HOH438 2.9 28.2 1.0
NZ C:LYS95 3.0 21.1 1.0
CE C:LYS95 3.1 19.8 1.0
O A:HOH324 3.2 19.1 1.0
O C:HOH410 3.2 22.4 1.0
C C:ALA104 3.8 10.2 1.0
O C:ALA104 3.8 10.7 1.0
N C:GLU105 3.8 10.7 1.0
CA C:GLU105 3.9 10.7 1.0
CG C:GLU105 3.9 9.4 1.0
O A:HOH313 4.0 23.8 1.0
CB C:ALA104 4.0 13.6 1.0
CB C:HIS108 4.1 11.9 1.0
ND1 C:HIS108 4.2 15.4 1.0
CG C:HIS108 4.3 13.6 1.0
OE2 A:GLU48 4.4 21.6 1.0
CG2 A:THR45 4.4 12.8 1.0
CD A:GLU48 4.5 14.5 1.0
CB C:GLU105 4.5 10.7 1.0
CA C:ALA104 4.6 12.3 1.0
CD C:LYS95 4.6 19.3 1.0
O C:HOH411 4.6 19.6 1.0
OE1 A:GLU48 4.7 16.4 1.0
O A:HOH528 4.7 28.8 1.0
O A:HOH530 4.8 30.5 1.0
OG1 A:THR45 4.8 10.7 1.0
CG A:GLU48 5.0 13.3 1.0

Chlorine binding site 3 out of 11 in 5dow

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Chlorine binding site 3 out of 11 in the Solution of the Variably-Twinned Structure of A Novel Calmodulin- Peptide Complex in A Novel Configuration


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Solution of the Variably-Twinned Structure of A Novel Calmodulin- Peptide Complex in A Novel Configuration within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl206

b:21.1
occ:0.59
 O C:HOH556 2.6 33.1 1.0
N C:GLU46 3.0 12.9 1.0
O C:HOH374 3.4 20.9 1.0
CA C:THR45 3.4 13.2 1.0
CB C:THR45 3.6 13.3 1.0
C C:THR45 3.7 12.9 1.0
CB C:GLU46 3.9 14.2 1.0
CA C:GLU46 4.0 12.9 1.0
CG2 C:THR45 4.2 14.1 1.0
O C:HOH460 4.2 29.9 1.0
O C:HOH353 4.5 27.4 1.0
O A:HOH521 4.7 39.3 1.0
OG1 C:THR45 4.8 12.2 1.0
N C:THR45 4.8 14.1 1.0
O C:THR45 4.9 10.7 1.0
O C:PRO44 5.0 12.6 1.0

Chlorine binding site 4 out of 11 in 5dow

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Chlorine binding site 4 out of 11 in the Solution of the Variably-Twinned Structure of A Novel Calmodulin- Peptide Complex in A Novel Configuration


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Solution of the Variably-Twinned Structure of A Novel Calmodulin- Peptide Complex in A Novel Configuration within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl207

b:59.7
occ:1.00
 O C:HOH419 2.8 35.8 1.0
O C:HOH336 3.2 16.4 1.0
O A:HOH504 3.2 38.6 1.0
NE C:ARG38 3.3 14.3 1.0
NH2 C:ARG38 3.4 18.5 1.0
CZ C:ARG38 3.8 16.4 1.0
O A:HOH415 4.0 37.6 1.0
O C:HOH549 4.0 41.1 1.0
O A:HOH320 4.1 38.9 1.0
CD C:ARG38 4.4 13.2 1.0
CA C:THR35 4.5 11.1 1.0
CG2 C:THR35 4.5 15.5 1.0
OG1 C:THR35 4.5 13.5 1.0
CB C:ARG38 4.6 11.2 1.0
O C:HOH489 4.7 19.1 1.0
CB C:THR35 4.8 12.3 1.0
O C:THR35 4.9 11.3 1.0
O A:HOH403 5.0 25.3 1.0

Chlorine binding site 5 out of 11 in 5dow

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Chlorine binding site 5 out of 11 in the Solution of the Variably-Twinned Structure of A Novel Calmodulin- Peptide Complex in A Novel Configuration


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Solution of the Variably-Twinned Structure of A Novel Calmodulin- Peptide Complex in A Novel Configuration within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl205

b:23.0
occ:0.71
 O E:HOH512 2.7 33.1 1.0
O E:HOH566 2.8 16.8 1.0
NZ E:LYS14 3.1 22.1 1.0
CD E:LYS14 3.5 18.3 1.0
CE E:LYS14 3.8 21.2 1.0
CG2 E:ILE10 4.4 10.5 0.4
CG2 E:ILE10 4.6 11.3 0.6
CG E:LYS14 4.8 16.9 1.0
O E:HOH428 4.9 19.4 1.0

Chlorine binding site 6 out of 11 in 5dow

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Chlorine binding site 6 out of 11 in the Solution of the Variably-Twinned Structure of A Novel Calmodulin- Peptide Complex in A Novel Configuration


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Solution of the Variably-Twinned Structure of A Novel Calmodulin- Peptide Complex in A Novel Configuration within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl206

b:38.9
occ:0.88
 O E:HOH342 3.1 18.7 1.0
NZ E:LYS95 3.2 18.3 1.0
O E:HOH361 3.4 29.4 1.0
CE E:LYS95 3.5 17.0 1.0
CB E:LYS95 3.6 12.8 1.0
CD E:LYS95 4.0 15.6 1.0
CA E:GLY41 4.2 15.3 1.0
O E:HOH466 4.3 36.7 1.0
CG E:LYS95 4.4 13.4 1.0
C E:LYS95 4.5 12.3 1.0
N E:ASP96 4.5 13.7 1.0
CB E:ASP96 4.6 15.1 1.0
O E:HOH543 4.7 42.9 1.0
CA E:LYS95 4.8 12.6 1.0
O E:LYS95 4.9 14.9 1.0
CA E:ASP96 4.9 15.8 1.0

Chlorine binding site 7 out of 11 in 5dow

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Chlorine binding site 7 out of 11 in the Solution of the Variably-Twinned Structure of A Novel Calmodulin- Peptide Complex in A Novel Configuration


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Solution of the Variably-Twinned Structure of A Novel Calmodulin- Peptide Complex in A Novel Configuration within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl207

b:29.0
occ:0.98
 O E:HOH388 2.8 19.3 1.0
O E:HOH476 2.9 33.0 1.0
N E:GLU7 3.1 10.7 1.0
O E:HOH452 3.4 16.4 1.0
CA E:THR6 3.5 12.2 1.0
CG E:GLU7 3.7 11.5 1.0
CB E:THR6 3.8 12.6 1.0
C E:THR6 3.8 11.0 1.0
CB E:GLU7 4.0 11.6 1.0
CA E:GLU7 4.1 11.1 1.0
CG2 E:THR6 4.4 14.1 1.0
OE1 E:GLU7 4.5 16.6 1.0
CD E:GLU7 4.6 13.1 1.0
O E:LEU5 4.7 14.6 1.0
O E:HOH557 4.8 26.6 1.0
N E:THR6 4.8 12.3 1.0
OG1 E:THR6 5.0 12.5 1.0

Chlorine binding site 8 out of 11 in 5dow

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Chlorine binding site 8 out of 11 in the Solution of the Variably-Twinned Structure of A Novel Calmodulin- Peptide Complex in A Novel Configuration


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Solution of the Variably-Twinned Structure of A Novel Calmodulin- Peptide Complex in A Novel Configuration within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl601

b:23.0
occ:0.95
 N F:GLN581 2.9 14.6 0.4
N F:GLN581 3.1 13.8 0.6
O E:HOH321 3.2 22.4 1.0
CB F:GLN581 3.4 18.2 0.4
C F:GLY578 3.4 11.9 1.0
CA F:GLY578 3.5 13.2 1.0
N F:ILE580 3.5 13.4 0.4
N F:ILE580 3.5 13.1 0.6
CG F:GLN581 3.5 18.7 0.4
CA F:GLN575 3.5 13.6 1.0
O F:GLN575 3.5 16.8 1.0
CG F:GLN581 3.5 15.7 0.6
CB F:ILE580 3.6 14.2 0.4
CB F:GLN581 3.7 16.7 0.6
CA F:GLN581 3.8 15.8 0.4
N F:LEU579 3.8 11.1 1.0
O F:GLY578 3.8 11.3 1.0
CA F:ILE580 3.8 14.2 0.4
C F:ILE580 3.8 14.2 0.4
CB F:ILE580 3.9 14.5 0.6
CA F:ILE580 3.9 14.4 0.6
C F:ILE580 3.9 14.1 0.6
CA F:GLN581 4.0 14.9 0.6
C F:GLN575 4.0 13.6 1.0
N F:GLY578 4.1 12.3 1.0
O F:LEU574 4.1 13.6 1.0
CB F:GLN575 4.1 16.0 1.0
CG F:GLN575 4.3 15.1 1.0
CG1 F:ILE580 4.3 13.6 0.4
C F:LEU579 4.4 13.1 1.0
O E:HOH314 4.4 28.5 1.0
N F:GLN575 4.5 13.9 1.0
NE2 F:GLN581 4.5 17.4 0.4
CD F:GLN581 4.5 19.8 0.4
OE2 E:GLU85 4.6 29.8 1.0
CA F:LEU579 4.7 12.8 1.0
CG2 F:ILE580 4.7 15.2 0.4
C F:LEU574 4.7 12.4 1.0
O F:HOH702 4.7 18.4 1.0
CD F:GLN581 4.8 14.2 0.6
NE2 F:GLN581 4.8 12.1 0.6
CG1 F:ILE580 4.9 15.4 0.6
CG2 F:ILE580 4.9 16.2 0.6
C F:GLN581 5.0 15.6 0.4
N F:MET582 5.0 15.5 1.0

Chlorine binding site 9 out of 11 in 5dow

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Chlorine binding site 9 out of 11 in the Solution of the Variably-Twinned Structure of A Novel Calmodulin- Peptide Complex in A Novel Configuration


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Solution of the Variably-Twinned Structure of A Novel Calmodulin- Peptide Complex in A Novel Configuration within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl602

b:33.5
occ:0.75
 NH1 F:ARG572 2.9 25.3 1.0
CD1 E:ILE86 3.2 28.8 1.0
NE2 F:GLN575 3.3 16.5 1.0
O A:HOH312 3.3 44.2 1.0
O E:HOH380 3.7 48.8 1.0
CE E:MET146 3.8 19.8 1.0
OE1 F:GLN575 3.9 17.2 1.0
CD F:GLN575 4.0 16.0 1.0
O E:MET146 4.1 22.7 1.0
CZ F:ARG572 4.1 24.1 1.0
O F:HOH708 4.4 35.3 1.0
CG1 E:ILE86 4.4 29.3 1.0
CB E:MET146 4.5 15.8 1.0
NH2 F:ARG572 4.5 25.1 1.0
OE1 A:GLU83 4.8 58.4 1.0
SD E:MET146 4.9 18.2 1.0
C E:MET146 5.0 20.6 1.0

Chlorine binding site 10 out of 11 in 5dow

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Chlorine binding site 10 out of 11 in the Solution of the Variably-Twinned Structure of A Novel Calmodulin- Peptide Complex in A Novel Configuration


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Solution of the Variably-Twinned Structure of A Novel Calmodulin- Peptide Complex in A Novel Configuration within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl206

b:22.2
occ:0.99
 O E:HOH429 3.1 23.4 0.7
O G:HOH357 3.2 17.7 1.0
NH1 G:ARG87 3.3 15.1 1.0
NH2 G:ARG87 3.4 16.6 1.0
NH1 E:ARG91 3.4 29.7 1.0
O E:HOH393 3.6 17.1 1.0
CZ G:ARG87 3.8 15.8 1.0
CB G:TYR139 3.9 18.1 1.0
CG E:ARG91 4.0 17.1 1.0
CD2 E:PHE90 4.1 11.1 1.0
CE2 E:PHE90 4.2 12.0 1.0
CD E:ARG91 4.3 21.0 1.0
CZ E:ARG91 4.6 27.5 1.0
CG G:TYR139 4.6 16.7 1.0
CD1 E:TYR139 4.8 22.5 1.0
CE2 G:PHE90 4.9 17.1 1.0
NE E:ARG91 4.9 24.4 1.0

Reference:

J.P.Keller, J.P.Keller. N/A N/A.
ISSN: ISSN 2059-7983
PubMed: 28045382
DOI: 10.1107/S2059798316019318
Page generated: Fri Jul 26 06:50:08 2024

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