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Chlorine in PDB 6qmo: Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289E and S308A Mutations

Enzymatic activity of Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289E and S308A Mutations

All present enzymatic activity of Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289E and S308A Mutations:
2.7.11.1;

Protein crystallography data

The structure of Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289E and S308A Mutations, PDB code: 6qmo was solved by A.-S.Huart, M.Wilmanns, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.18 / 1.87
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 47.207, 75.752, 93.960, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 22.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289E and S308A Mutations (pdb code 6qmo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289E and S308A Mutations, PDB code: 6qmo:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 6qmo

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Chlorine binding site 1 out of 5 in the Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289E and S308A Mutations


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289E and S308A Mutations within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl407

b:66.5
occ:1.00
 O A:HOH522 2.7 46.2 1.0
NZ A:LYS42 3.2 39.9 1.0
OE1 A:GLU64 3.3 26.2 1.0
CE A:LYS42 3.4 42.1 1.0
CA A:GLY163 4.0 21.1 1.0
CD1 A:ILE44 4.1 28.3 1.0
CD A:GLU64 4.2 31.7 1.0
OE2 A:GLU64 4.3 29.0 1.0
CG1 A:ILE44 4.6 23.6 1.0
CG2 A:ILE44 4.6 24.1 1.0
CB A:ALA25 4.7 37.2 1.0
O A:HOH614 4.8 47.5 1.0
CD A:LYS42 4.8 35.9 1.0
OD1 A:ASP161 4.8 28.1 1.0
O A:HOH566 4.9 50.2 1.0
N A:GLY163 4.9 16.8 1.0

Chlorine binding site 2 out of 5 in 6qmo

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Chlorine binding site 2 out of 5 in the Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289E and S308A Mutations


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289E and S308A Mutations within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl408

b:80.9
occ:1.00
 O A:ARG263 3.3 27.1 1.0
O A:HOH502 3.4 33.7 1.0
O A:LYS261 3.7 38.6 1.0
O A:HOH520 4.2 38.3 1.0
C A:ARG263 4.3 26.6 1.0
C A:LYS262 4.4 24.1 1.0
CG2 A:THR265 4.5 28.7 1.0
O A:LYS262 4.5 29.0 1.0
C A:LYS261 4.7 31.5 1.0
CA A:LYS262 4.7 23.9 1.0
N A:ARG263 4.8 24.5 1.0
OD2 A:ASP268 4.8 48.1 1.0
CA A:MET264 4.9 27.4 1.0
N A:THR265 4.9 25.5 1.0
N A:MET264 5.0 25.0 1.0

Chlorine binding site 3 out of 5 in 6qmo

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Chlorine binding site 3 out of 5 in the Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289E and S308A Mutations


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289E and S308A Mutations within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl409

b:81.6
occ:1.00
 NH1 A:ARG253 3.6 64.0 1.0
OE2 A:GLU235 3.7 80.2 1.0
CE2 A:TYR234 4.1 29.5 1.0
CZ A:TYR234 4.2 31.1 1.0
CD2 A:PHE236 4.2 34.5 1.0
OH A:TYR234 4.2 32.4 1.0
O A:TYR234 4.2 28.4 1.0
CE2 A:PHE236 4.3 33.1 1.0
CD2 A:TYR234 4.7 32.1 1.0
CE1 A:TYR234 4.8 27.9 1.0
CD A:GLU235 4.8 75.4 1.0
CA A:GLU235 4.8 36.7 1.0
CZ A:ARG253 4.9 61.0 1.0
CD A:ARG253 4.9 48.5 1.0
N A:PHE236 4.9 35.2 1.0
CG A:ARG253 5.0 42.8 1.0

Chlorine binding site 4 out of 5 in 6qmo

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Chlorine binding site 4 out of 5 in the Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289E and S308A Mutations


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289E and S308A Mutations within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl410

b:86.7
occ:1.00
 O A:HOH593 2.3 80.6 1.0
CZ A:PHE174 4.1 57.6 1.0
CE1 A:PHE174 4.2 56.6 1.0
CE2 A:PHE174 4.5 58.7 1.0
CD1 A:PHE174 4.6 59.7 1.0
CG A:PRO193 4.7 33.3 1.0
CD A:PRO193 4.7 31.5 1.0
CD2 A:PHE174 4.9 54.7 1.0
CG A:PHE174 5.0 52.9 1.0

Chlorine binding site 5 out of 5 in 6qmo

Go back to Chlorine Binding Sites List in 6qmo
Chlorine binding site 5 out of 5 in the Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289E and S308A Mutations


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289E and S308A Mutations within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl411

b:93.2
occ:1.00
 OD2 A:ASP103 3.1 45.5 1.0
OE1 A:GLU100 3.3 41.8 1.0
OD1 A:ASP103 3.4 47.4 1.0
CG A:ASP103 3.7 42.6 1.0
CD A:GLU100 3.7 40.1 1.0
OE2 A:GLU100 3.8 41.5 1.0
O A:HOH504 4.6 39.4 1.0
CG A:GLU100 5.0 33.2 1.0

Reference:

A.-S.Huart, B.Simon, J.Lubner, H.D.T.Mertens, K.Temmerman, J.-E.Hoffmann, D.I.Svergun, D.Schwartz, C.Schultz, M.Wilmanns. Molecular Mechanisms Behind Dapk Regulation: How Phosphorylation Switches Work To Be Published.
Page generated: Mon Jul 29 14:02:25 2024

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