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Chlorine in PDB 6cqh: Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Propynyl-N-Ethyl-Dihydropteridine Inhibitor

Enzymatic activity of Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Propynyl-N-Ethyl-Dihydropteridine Inhibitor

All present enzymatic activity of Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Propynyl-N-Ethyl-Dihydropteridine Inhibitor:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Propynyl-N-Ethyl-Dihydropteridine Inhibitor, PDB code: 6cqh was solved by C.V.Dos Reis, G.P.De Souza, R.M.Counago, A.Azevedo, C.Guimaraes, A.Mascarello, F.Gama, M.Ferreira, K.B.Massirer, P.Arruda, A.M.Edwards, J.M.Elkins, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.67 / 2.15
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 92.492, 96.560, 193.395, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 23.9

Other elements in 6cqh:

The structure of Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Propynyl-N-Ethyl-Dihydropteridine Inhibitor also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Propynyl-N-Ethyl-Dihydropteridine Inhibitor (pdb code 6cqh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Propynyl-N-Ethyl-Dihydropteridine Inhibitor, PDB code: 6cqh:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6cqh

Go back to Chlorine Binding Sites List in 6cqh
Chlorine binding site 1 out of 4 in the Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Propynyl-N-Ethyl-Dihydropteridine Inhibitor


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 Human Vaccinia-Related Kinase Bound to A N- Propynyl-N-Ethyl-Dihydropteridine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl405

b:57.9
occ:1.00
 N B:GLY297 3.3 32.5 1.0
NH2 B:ARG151 3.8 33.0 1.0
CA B:GLY297 3.9 32.0 1.0
O B:ALA295 4.2 35.6 1.0
C B:PRO296 4.3 32.1 1.0
CA B:PRO296 4.4 33.3 1.0
O B:HOH616 4.8 37.1 1.0
CZ B:ARG151 4.8 33.2 1.0
NH1 B:ARG151 4.9 34.8 1.0
OE1 B:GLU298 5.0 30.2 1.0

Chlorine binding site 2 out of 4 in 6cqh

Go back to Chlorine Binding Sites List in 6cqh
Chlorine binding site 2 out of 4 in the Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Propynyl-N-Ethyl-Dihydropteridine Inhibitor


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 Human Vaccinia-Related Kinase Bound to A N- Propynyl-N-Ethyl-Dihydropteridine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl406

b:57.2
occ:1.00
 CE B:LYS85 4.1 43.3 1.0
O B:HOH571 4.2 38.6 1.0
NZ B:LYS85 4.3 46.0 1.0
NH1 B:ARG203 4.5 31.7 1.0
O B:HOH599 4.7 22.2 1.0
CD B:ARG203 4.7 28.7 1.0

Chlorine binding site 3 out of 4 in 6cqh

Go back to Chlorine Binding Sites List in 6cqh
Chlorine binding site 3 out of 4 in the Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Propynyl-N-Ethyl-Dihydropteridine Inhibitor


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 Human Vaccinia-Related Kinase Bound to A N- Propynyl-N-Ethyl-Dihydropteridine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl405

b:58.4
occ:1.00
 OH D:TYR202 3.2 22.6 1.0
NH2 D:ARG219 3.6 26.9 1.0
NZ D:LYS211 3.7 24.9 1.0
CE1 D:TYR202 4.1 21.8 1.0
CZ D:TYR202 4.1 21.5 1.0
CE D:LYS211 4.2 23.4 1.0
CD D:LYS211 4.8 22.9 1.0
O D:HOH651 4.8 27.8 1.0
CZ D:ARG219 4.8 26.4 1.0

Chlorine binding site 4 out of 4 in 6cqh

Go back to Chlorine Binding Sites List in 6cqh
Chlorine binding site 4 out of 4 in the Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N- Propynyl-N-Ethyl-Dihydropteridine Inhibitor


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 Human Vaccinia-Related Kinase Bound to A N- Propynyl-N-Ethyl-Dihydropteridine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl406

b:61.8
occ:1.00
 NZ D:LYS85 3.6 35.9 1.0
NH1 D:ARG89 3.9 31.8 1.0
NH2 D:ARG89 4.1 34.2 1.0
CE D:LYS85 4.2 33.5 1.0
CD D:LYS85 4.4 32.8 1.0
CZ D:ARG89 4.5 32.3 1.0
O D:HOH592 4.8 20.3 1.0

Reference:

C.V.Dos Reis, G.P.De Souza, R.M.Counago, H.Azevedo, C.Guimaraes, A.Mascarello, F.Gama, M.Ferreira, K.B.Massirer, P.Arruda, A.M.Edwards, J.M.Elkins, Structural Genomics Consortium (Sgc). Crystal Structure of the Human Vaccinia-Related Kinase Bound to A N-Propynyl-N-Ethyl-Dihydropteridine Inhibitor To Be Published.
Page generated: Fri Jul 26 23:39:18 2024

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