Atomistry » Chlorine » PDB 6bsg-6bzh » 6bu6
Atomistry »
  Chlorine »
    PDB 6bsg-6bzh »
      6bu6 »

Chlorine in PDB 6bu6: Crystal Structure of the Human Vaccinia-Related Kinase Bound to A Bis- Difluorophenol-Aminopyridine Inhibitor

Enzymatic activity of Crystal Structure of the Human Vaccinia-Related Kinase Bound to A Bis- Difluorophenol-Aminopyridine Inhibitor

All present enzymatic activity of Crystal Structure of the Human Vaccinia-Related Kinase Bound to A Bis- Difluorophenol-Aminopyridine Inhibitor:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of the Human Vaccinia-Related Kinase Bound to A Bis- Difluorophenol-Aminopyridine Inhibitor, PDB code: 6bu6 was solved by R.M.Counago, C.V.Dos Reis, G.P.De Souza, A.S.Santiago, 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) 19.98 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 92.215, 96.572, 193.056, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 21.3

Other elements in 6bu6:

The structure of Crystal Structure of the Human Vaccinia-Related Kinase Bound to A Bis- Difluorophenol-Aminopyridine Inhibitor also contains other interesting chemical elements:

Fluorine (F) 12 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Human Vaccinia-Related Kinase Bound to A Bis- Difluorophenol-Aminopyridine Inhibitor (pdb code 6bu6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of the Human Vaccinia-Related Kinase Bound to A Bis- Difluorophenol-Aminopyridine Inhibitor, PDB code: 6bu6:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 6bu6

Go back to Chlorine Binding Sites List in 6bu6
Chlorine binding site 1 out of 6 in the Crystal Structure of the Human Vaccinia-Related Kinase Bound to A Bis- Difluorophenol-Aminopyridine 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 Bis- Difluorophenol-Aminopyridine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:59.9
occ:1.00
 NE2 A:HIS258 3.2 29.1 1.0
NH2 A:ARG148 3.3 41.0 1.0
NH1 A:ARG148 3.8 38.2 1.0
O A:HOH599 3.9 36.4 1.0
CE1 A:HIS258 3.9 32.9 1.0
CZ A:ARG148 4.0 35.8 1.0
O A:HOH617 4.1 48.1 1.0
CD2 A:HIS258 4.2 29.2 1.0

Chlorine binding site 2 out of 6 in 6bu6

Go back to Chlorine Binding Sites List in 6bu6
Chlorine binding site 2 out of 6 in the Crystal Structure of the Human Vaccinia-Related Kinase Bound to A Bis- Difluorophenol-Aminopyridine 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 Bis- Difluorophenol-Aminopyridine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:71.1
occ:1.00
 NE2 A:HIS171 3.3 27.7 1.0
NE2 A:GLN95 3.5 26.7 1.0
O A:HOH551 3.5 42.7 1.0
CG A:GLN95 3.7 32.2 1.0
CD2 A:HIS171 3.9 28.2 1.0
CD A:GLN95 4.2 29.7 1.0
CE1 A:HIS171 4.4 27.2 1.0
CB A:GLN95 4.9 31.9 1.0

Chlorine binding site 3 out of 6 in 6bu6

Go back to Chlorine Binding Sites List in 6bu6
Chlorine binding site 3 out of 6 in the Crystal Structure of the Human Vaccinia-Related Kinase Bound to A Bis- Difluorophenol-Aminopyridine 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 Bis- Difluorophenol-Aminopyridine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:73.3
occ:1.00
 NH2 B:ARG89 3.2 76.7 1.0
NH1 B:ARG89 3.3 75.5 1.0
O B:HOH716 3.5 46.9 1.0
CZ B:ARG89 3.7 72.8 1.0
NZ B:LYS85 4.0 62.4 1.0
CE B:LYS85 4.2 58.3 1.0
NH1 B:ARG203 4.3 39.7 1.0
CD B:ARG203 4.5 33.2 1.0
O B:HOH653 4.6 54.7 1.0
NE B:ARG89 5.0 66.5 1.0
O B:HOH669 5.0 27.9 1.0

Chlorine binding site 4 out of 6 in 6bu6

Go back to Chlorine Binding Sites List in 6bu6
Chlorine binding site 4 out of 6 in the Crystal Structure of the Human Vaccinia-Related Kinase Bound to A Bis- Difluorophenol-Aminopyridine 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 Bis- Difluorophenol-Aminopyridine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl404

b:59.9
occ:1.00
 NE2 B:HIS258 3.3 36.4 1.0
NH2 B:ARG148 3.5 37.2 1.0
O B:HOH584 3.7 44.7 1.0
NH1 B:ARG148 3.8 34.9 1.0
CE1 B:HIS258 4.0 41.0 1.0
CZ B:ARG148 4.2 33.9 1.0
CD2 B:HIS258 4.4 35.7 1.0

Chlorine binding site 5 out of 6 in 6bu6

Go back to Chlorine Binding Sites List in 6bu6
Chlorine binding site 5 out of 6 in the Crystal Structure of the Human Vaccinia-Related Kinase Bound to A Bis- Difluorophenol-Aminopyridine Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Human Vaccinia-Related Kinase Bound to A Bis- Difluorophenol-Aminopyridine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl403

b:66.9
occ:1.00
 NE2 C:HIS258 3.4 35.2 1.0
NH2 C:ARG148 3.6 39.9 1.0
NH1 C:ARG148 3.9 36.8 1.0
O C:HOH534 3.9 50.3 1.0
CE1 C:HIS258 4.1 38.9 1.0
O C:HOH634 4.1 49.5 1.0
CZ C:ARG148 4.2 36.3 1.0
CD2 C:HIS258 4.5 37.6 1.0

Chlorine binding site 6 out of 6 in 6bu6

Go back to Chlorine Binding Sites List in 6bu6
Chlorine binding site 6 out of 6 in the Crystal Structure of the Human Vaccinia-Related Kinase Bound to A Bis- Difluorophenol-Aminopyridine Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Human Vaccinia-Related Kinase Bound to A Bis- Difluorophenol-Aminopyridine Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl404

b:70.5
occ:1.00
 NH2 D:ARG89 3.2 52.0 1.0
NH1 D:ARG89 3.3 41.8 1.0
NZ D:LYS85 3.5 50.7 1.0
CZ D:ARG89 3.7 46.0 1.0
CE D:LYS85 3.9 47.3 1.0
CD D:LYS85 4.5 39.9 1.0
O D:HOH638 4.8 20.9 1.0

Reference:

R.M.Counago, C.V.Dos Reis, G.P.De Souza, A.S.Santiago, 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 Bis-Difluorophenol-Aminopyridine Inhibitor To Be Published.
Page generated: Sat Jul 12 12:06:01 2025

Last articles

Mo in 3ML1
Mo in 3K6X
Mo in 3L4P
Mo in 3K1A
Mo in 3K6W
Mo in 3GZG
Mo in 3HRD
Mo in 3IR5
Mo in 3IR7
Mo in 3HBQ
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy