Atomistry » Chlorine » PDB 6coe-6cua » 6cqh
Atomistry »
  Chlorine »
    PDB 6coe-6cua »
      6cqh »

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: Sat Jul 12 12:30:30 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy