Chlorine in PDB 6fhb: Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289A and S308E Mutations

Enzymatic activity of Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289A and S308E Mutations

All present enzymatic activity of Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289A and S308E Mutations:
2.7.11.1;

Protein crystallography data

The structure of Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289A and S308E Mutations, PDB code: 6fhb 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) 45.01 / 1.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 49.507, 76.653, 108.009, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 22.2

Other elements in 6fhb:

The structure of Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289A and S308E Mutations also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289A and S308E Mutations (pdb code 6fhb). 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 S289A and S308E Mutations, PDB code: 6fhb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 6fhb

Go back to Chlorine Binding Sites List in 6fhb
Chlorine binding site 1 out of 5 in the Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289A and S308E 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 S289A and S308E Mutations within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:70.9
occ:1.00
 NZ A:LYS69 3.2 56.8 1.0
O A:HIS80 3.7 25.0 1.0
O A:HOH627 4.0 30.6 1.0
C A:HIS80 4.2 23.3 1.0
CD2 A:LEU79 4.4 29.0 1.0
CA A:GLU81 4.4 21.0 1.0
CE A:LYS69 4.4 40.1 1.0
CG A:LYS69 4.4 32.0 1.0
N A:GLU81 4.5 21.1 1.0
CG A:LEU79 4.5 23.1 1.0
O A:LEU79 4.7 23.8 1.0
CD A:LYS69 4.7 34.8 1.0
C A:GLU81 4.9 21.1 1.0
N A:VAL82 5.0 23.3 1.0
CG2 A:VAL82 5.0 23.2 1.0

Chlorine binding site 2 out of 5 in 6fhb

Go back to Chlorine Binding Sites List in 6fhb
Chlorine binding site 2 out of 5 in the Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289A and S308E 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 S289A and S308E Mutations within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:73.3
occ:1.00
 NE A:ARG253 3.6 45.9 1.0
CD2 A:PHE236 4.0 39.2 1.0
CE2 A:PHE236 4.0 35.7 1.0
CD A:ARG253 4.0 45.3 1.0
OH A:TYR234 4.3 32.3 1.0
CE2 A:TYR234 4.4 33.9 1.0
CZ A:TYR234 4.4 31.0 1.0
CG A:ARG253 4.5 37.4 1.0
CZ A:ARG253 4.6 44.8 1.0
NH1 A:ARG253 4.8 44.9 1.0
O A:TYR234 4.9 36.5 1.0

Chlorine binding site 3 out of 5 in 6fhb

Go back to Chlorine Binding Sites List in 6fhb
Chlorine binding site 3 out of 5 in the Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289A and S308E 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 S289A and S308E Mutations within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:61.1
occ:1.00
 O A:LEU226 4.0 28.1 1.0
CG1 A:VAL189 4.1 36.3 1.0
C A:LEU226 4.1 29.1 1.0
N A:ALA227 4.1 30.9 1.0
CA A:ALA227 4.2 30.3 1.0
CB A:LEU226 4.3 28.8 1.0
CB A:SER230 4.5 30.7 1.0
CB A:ALA227 4.8 27.9 1.0
OD1 A:ASN190 4.8 33.7 1.0
O A:HOH599 4.9 37.4 1.0
CA A:LEU226 4.9 27.9 1.0
OG A:SER230 5.0 38.0 1.0

Chlorine binding site 4 out of 5 in 6fhb

Go back to Chlorine Binding Sites List in 6fhb
Chlorine binding site 4 out of 5 in the Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289A and S308E 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 S289A and S308E Mutations within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:72.3
occ:1.00
 O A:HOH691 2.8 41.1 1.0
O A:HOH572 3.2 45.0 1.0
O A:HOH580 3.9 24.7 1.0
O A:HOH517 4.3 29.9 1.0
O A:HOH568 4.5 33.4 1.0
CD1 A:LEU37 4.5 25.2 1.0
OH A:TYR39 4.8 26.1 1.0
CD2 A:LEU37 4.8 26.8 1.0
CB A:LEU37 4.8 21.1 1.0
O A:HOH690 4.8 42.0 1.0
O A:GLN38 4.8 24.5 1.0
CG A:LEU37 5.0 25.0 1.0

Chlorine binding site 5 out of 5 in 6fhb

Go back to Chlorine Binding Sites List in 6fhb
Chlorine binding site 5 out of 5 in the Death-Associated Protein Kinase 1 (DAPK1) Catalytic and Auto- Regulatory Domains with S289A and S308E 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 S289A and S308E Mutations within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl405

b:67.8
occ:1.00
 O A:PHE178 3.1 38.4 1.0
O A:GLY179 3.7 31.8 1.0
C A:PHE178 3.7 33.4 1.0
CG2 A:ILE177 3.9 46.3 1.0
N A:PHE178 4.0 32.4 1.0
CD2 A:LEU226 4.3 31.9 1.0
CA A:PHE178 4.3 34.3 1.0
CG2 A:VAL184 4.3 26.4 1.0
C A:GLY179 4.4 30.9 1.0
N A:GLY179 4.5 34.3 1.0
CG2 A:ILE188 4.6 27.3 1.0
CG A:PRO181 4.6 32.5 1.0
N A:PRO181 4.7 32.5 1.0
CD A:PRO181 4.7 35.0 1.0
C A:ILE177 4.8 41.9 1.0
CA A:PRO181 4.8 31.4 1.0
CA A:GLY179 4.8 30.9 1.0
CG1 A:VAL184 4.9 25.7 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: Sat Dec 12 12:58:42 2020

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