Atomistry » Potassium » PDB 4bga-4cn0 » 4bz5
Atomistry »
  Potassium »
    PDB 4bga-4cn0 »
      4bz5 »

Potassium in PDB 4bz5: Crystal Structure of Schistosoma Mansoni HDAC8

Protein crystallography data

The structure of Crystal Structure of Schistosoma Mansoni HDAC8, PDB code: 4bz5 was solved by M.Marek, C.Romier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.370 / 1.78
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 70.649, 70.734, 98.295, 75.90, 78.32, 85.59
R / Rfree (%) 15.44 / 18.83

Other elements in 4bz5:

The structure of Crystal Structure of Schistosoma Mansoni HDAC8 also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of Schistosoma Mansoni HDAC8 (pdb code 4bz5). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 8 binding sites of Potassium where determined in the Crystal Structure of Schistosoma Mansoni HDAC8, PDB code: 4bz5:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Potassium binding site 1 out of 8 in 4bz5

Go back to Potassium Binding Sites List in 4bz5
Potassium binding site 1 out of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of Schistosoma Mansoni HDAC8 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K600

b:17.9
occ:1.00
O A:VAL203 2.7 19.9 1.0
O A:PHE197 2.8 14.3 1.0
O A:SER200 3.0 19.9 1.0
OG A:SER243 3.0 22.5 1.0
O A:HOH2218 3.1 20.0 1.0
CB A:SER243 3.6 19.1 1.0
O A:SER243 3.6 17.5 1.0
C A:PHE197 3.7 18.1 1.0
C A:VAL203 3.9 20.2 1.0
C A:SER243 3.9 17.9 1.0
CB A:PHE197 4.0 13.3 1.0
C A:SER200 4.1 17.6 1.0
CA A:SER243 4.4 14.3 1.0
CA A:VAL204 4.4 16.4 1.0
CA A:PHE197 4.5 12.9 1.0
N A:SER200 4.5 19.8 1.0
N A:TRP198 4.5 13.4 1.0
N A:THR205 4.5 16.8 1.0
N A:ALA244 4.5 14.3 1.0
CA A:TRP198 4.6 12.1 1.0
C A:TRP198 4.6 15.3 1.0
O A:TRP198 4.6 13.7 1.0
N A:VAL204 4.7 14.8 1.0
OG1 A:THR205 4.7 15.2 1.0
CA A:SER200 4.7 22.2 1.0
CG2 A:THR205 4.8 12.5 1.0
O A:GLY240 4.9 17.9 1.0
C A:VAL204 4.9 17.4 1.0
CA A:VAL203 4.9 17.8 1.0
CA A:ALA244 4.9 15.5 1.0
CB A:VAL203 5.0 18.0 1.0

Potassium binding site 2 out of 8 in 4bz5

Go back to Potassium Binding Sites List in 4bz5
Potassium binding site 2 out of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of Schistosoma Mansoni HDAC8 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K601

b:11.9
occ:1.00
O A:VAL208 2.8 14.4 1.0
O A:ASP186 2.9 14.4 1.0
OD1 A:ASP184 2.9 13.1 1.0
O A:HIS188 2.9 13.9 1.0
O A:ASP184 3.0 12.7 1.0
OG A:SER207 3.0 17.6 1.0
N A:ASP186 3.4 14.3 1.0
CG A:ASP184 3.5 12.3 1.0
C A:ASP184 3.5 11.2 1.0
C A:ASP186 3.6 12.8 1.0
C A:VAL208 3.7 14.7 1.0
CB A:ASP184 3.8 9.4 1.0
C A:HIS188 3.8 9.4 1.0
CA A:ASP186 3.8 11.0 1.0
CB A:HIS209 3.9 11.4 1.0
CB A:ASP186 3.9 10.8 1.0
N A:VAL208 3.9 11.6 1.0
C A:LEU185 3.9 16.3 1.0
N A:LEU185 4.1 11.7 1.0
CB A:SER207 4.1 13.7 1.0
CA A:ASP184 4.3 9.5 1.0
ND1 A:HIS209 4.3 12.1 1.0
CA A:LEU185 4.3 12.3 1.0
OD2 A:ASP184 4.3 12.7 1.0
N A:GLY190 4.3 10.5 1.0
CA A:HIS209 4.3 10.8 1.0
CA A:SER207 4.4 14.9 1.0
CA A:HIS189 4.4 8.8 1.0
N A:HIS209 4.4 12.4 1.0
N A:HIS189 4.5 9.3 1.0
N A:HIS188 4.5 11.1 1.0
C A:SER207 4.5 11.4 1.0
CA A:VAL208 4.5 10.4 1.0
CG A:HIS209 4.5 16.5 1.0
O A:LEU185 4.6 13.3 1.0
C A:HIS189 4.6 11.5 1.0
N A:LEU187 4.7 12.7 1.0
O A:HOH2213 4.7 19.0 1.0
C A:LEU187 4.8 12.0 1.0
CA A:HIS188 4.8 11.9 1.0
CE1 A:HIS141 5.0 16.5 1.0
CG1 A:VAL208 5.0 15.1 1.0

Potassium binding site 3 out of 8 in 4bz5

Go back to Potassium Binding Sites List in 4bz5
Potassium binding site 3 out of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Crystal Structure of Schistosoma Mansoni HDAC8 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K600

b:17.9
occ:1.00
O B:VAL203 2.7 16.0 1.0
O B:PHE197 2.8 16.7 1.0
OG B:SER243 2.9 19.9 1.0
O B:SER200 3.0 22.4 1.0
O B:HOH2231 3.1 17.7 1.0
O B:SER243 3.5 16.7 1.0
CB B:SER243 3.6 21.4 1.0
C B:PHE197 3.6 16.3 1.0
C B:VAL203 3.9 19.6 1.0
C B:SER243 3.9 14.8 1.0
CB B:PHE197 3.9 14.3 1.0
C B:SER200 4.0 19.7 1.0
N B:SER200 4.4 20.7 1.0
CA B:PHE197 4.4 14.9 1.0
CA B:SER243 4.4 14.2 1.0
CA B:VAL204 4.4 11.7 1.0
N B:TRP198 4.5 15.1 1.0
N B:ALA244 4.5 12.9 1.0
N B:THR205 4.5 13.8 1.0
CA B:SER200 4.6 22.2 0.5
CA B:SER200 4.6 22.2 0.5
CA B:TRP198 4.6 14.9 1.0
C B:TRP198 4.6 15.4 1.0
N B:VAL204 4.6 12.8 1.0
O B:TRP198 4.7 15.8 1.0
OG1 B:THR205 4.7 13.0 1.0
CG2 B:THR205 4.7 14.7 1.0
CB B:SER200 4.8 23.6 0.5
CB B:SER200 4.8 23.6 0.5
O B:GLY240 4.9 16.0 1.0
C B:VAL204 4.9 15.1 1.0
CA B:VAL203 4.9 15.5 1.0
CA B:ALA244 4.9 14.1 1.0
CB B:VAL203 5.0 17.6 1.0

Potassium binding site 4 out of 8 in 4bz5

Go back to Potassium Binding Sites List in 4bz5
Potassium binding site 4 out of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Crystal Structure of Schistosoma Mansoni HDAC8 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K601

b:10.4
occ:1.00
O B:VAL208 2.8 12.2 1.0
OD1 B:ASP184 2.8 10.2 1.0
O B:ASP186 2.8 11.3 1.0
O B:HIS188 2.9 11.7 1.0
O B:ASP184 2.9 11.0 1.0
OG B:SER207 3.0 12.7 1.0
CG B:ASP184 3.4 12.0 1.0
N B:ASP186 3.5 9.4 1.0
C B:ASP184 3.5 8.8 1.0
C B:ASP186 3.6 10.8 1.0
C B:VAL208 3.7 10.8 1.0
CB B:ASP184 3.8 12.2 1.0
C B:HIS188 3.8 10.8 1.0
CB B:HIS209 3.8 9.8 1.0
CA B:ASP186 3.9 10.1 1.0
N B:VAL208 3.9 9.9 1.0
C B:LEU185 3.9 12.2 1.0
CB B:ASP186 3.9 11.0 1.0
N B:LEU185 4.1 10.3 1.0
CB B:SER207 4.2 12.6 1.0
ND1 B:HIS209 4.2 10.1 1.0
CA B:ASP184 4.2 7.9 1.0
CA B:LEU185 4.3 7.0 1.0
N B:GLY190 4.3 8.7 1.0
OD2 B:ASP184 4.3 11.4 1.0
CA B:HIS209 4.3 7.2 1.0
CA B:HIS189 4.4 9.6 1.0
CA B:SER207 4.4 10.6 1.0
N B:HIS209 4.4 9.5 1.0
N B:HIS188 4.4 9.5 1.0
N B:HIS189 4.5 9.4 1.0
C B:SER207 4.5 12.3 1.0
CG B:HIS209 4.5 10.9 1.0
CA B:VAL208 4.5 9.6 1.0
O B:LEU185 4.6 12.2 1.0
C B:HIS189 4.6 11.6 1.0
C B:LEU187 4.7 11.7 1.0
O B:HOH2226 4.7 15.2 1.0
CA B:HIS188 4.8 11.1 1.0
N B:LEU187 4.8 8.6 1.0

Potassium binding site 5 out of 8 in 4bz5

Go back to Potassium Binding Sites List in 4bz5
Potassium binding site 5 out of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Crystal Structure of Schistosoma Mansoni HDAC8 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K600

b:11.0
occ:1.00
O C:ASP186 2.8 10.6 1.0
O C:VAL208 2.8 12.0 1.0
OD1 C:ASP184 2.8 10.0 1.0
O C:HIS188 2.9 11.0 1.0
O C:ASP184 3.0 10.8 1.0
OG C:SER207 3.0 13.0 1.0
CG C:ASP184 3.4 11.4 1.0
N C:ASP186 3.4 9.4 1.0
C C:ASP184 3.5 10.4 1.0
C C:ASP186 3.6 8.2 1.0
C C:VAL208 3.7 11.4 1.0
C C:HIS188 3.8 13.6 1.0
CB C:ASP184 3.8 11.2 1.0
CB C:HIS209 3.8 7.4 1.0
CA C:ASP186 3.9 8.7 1.0
CB C:ASP186 3.9 10.3 1.0
N C:VAL208 3.9 8.7 1.0
C C:LEU185 4.0 12.0 1.0
N C:LEU185 4.1 9.7 1.0
CB C:SER207 4.2 11.2 1.0
ND1 C:HIS209 4.2 12.7 1.0
CA C:ASP184 4.2 7.4 1.0
OD2 C:ASP184 4.3 9.8 1.0
CA C:LEU185 4.3 8.4 1.0
N C:GLY190 4.3 9.8 1.0
CA C:HIS209 4.3 9.5 1.0
CA C:HIS189 4.4 10.2 1.0
CA C:SER207 4.4 10.6 1.0
N C:HIS189 4.4 9.8 1.0
N C:HIS209 4.4 9.8 1.0
N C:HIS188 4.4 8.1 1.0
C C:SER207 4.5 11.8 1.0
CG C:HIS209 4.5 9.8 1.0
CA C:VAL208 4.5 9.3 1.0
C C:HIS189 4.6 9.6 1.0
O C:LEU185 4.7 11.2 1.0
C C:LEU187 4.7 9.9 1.0
CA C:HIS188 4.7 12.2 1.0
N C:LEU187 4.7 8.2 1.0
O C:HOH2251 4.8 14.2 1.0
CG1 C:VAL208 5.0 15.3 1.0

Potassium binding site 6 out of 8 in 4bz5

Go back to Potassium Binding Sites List in 4bz5
Potassium binding site 6 out of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of Crystal Structure of Schistosoma Mansoni HDAC8 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K601

b:15.8
occ:1.00
O C:VAL203 2.7 15.3 1.0
O C:PHE197 2.8 17.0 1.0
OG C:SER243 2.9 18.8 1.0
O C:SER200 3.0 22.9 1.0
O C:HOH2256 3.1 17.8 1.0
CB C:SER243 3.6 16.4 1.0
O C:SER243 3.6 16.8 1.0
C C:PHE197 3.6 14.2 1.0
CB C:PHE197 3.9 14.3 1.0
C C:VAL203 3.9 17.6 1.0
C C:SER243 4.0 15.4 1.0
C C:SER200 4.1 19.8 1.0
CA C:PHE197 4.4 12.9 1.0
CA C:SER243 4.4 15.4 1.0
N C:TRP198 4.4 14.3 1.0
N C:SER200 4.5 20.7 1.0
CA C:VAL204 4.5 11.3 1.0
N C:ALA244 4.6 11.4 1.0
CA C:TRP198 4.6 16.6 1.0
C C:TRP198 4.6 18.8 1.0
N C:THR205 4.6 12.2 1.0
O C:TRP198 4.6 15.3 1.0
CG2 C:THR205 4.7 15.7 1.0
CA C:SER200 4.7 23.9 1.0
N C:VAL204 4.7 13.2 1.0
OG1 C:THR205 4.8 12.9 1.0
O C:GLY240 4.8 17.8 1.0
CB C:SER200 4.9 32.1 1.0
CA C:VAL203 4.9 12.9 1.0
CB C:VAL203 4.9 13.2 1.0
N C:VAL203 5.0 15.4 1.0

Potassium binding site 7 out of 8 in 4bz5

Go back to Potassium Binding Sites List in 4bz5
Potassium binding site 7 out of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 7 of Crystal Structure of Schistosoma Mansoni HDAC8 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K600

b:18.3
occ:1.00
O D:VAL203 2.8 20.1 1.0
O D:PHE197 2.8 17.9 1.0
O D:SER200 3.0 19.9 1.0
OG D:SER243 3.0 23.8 1.0
O D:HOH2186 3.1 18.6 1.0
O D:SER243 3.5 16.2 1.0
CB D:SER243 3.6 17.6 1.0
C D:PHE197 3.7 18.0 1.0
C D:SER243 3.9 16.7 1.0
C D:VAL203 3.9 20.6 1.0
CB D:PHE197 4.0 13.9 1.0
C D:SER200 4.1 18.5 1.0
CA D:SER243 4.4 14.2 1.0
CA D:PHE197 4.4 12.1 1.0
CA D:VAL204 4.4 16.6 1.0
N D:TRP198 4.5 11.9 1.0
N D:SER200 4.5 17.7 1.0
N D:THR205 4.5 15.9 1.0
N D:ALA244 4.5 13.9 1.0
CA D:TRP198 4.6 11.8 1.0
C D:TRP198 4.6 15.4 1.0
N D:VAL204 4.7 16.7 1.0
O D:TRP198 4.7 13.7 1.0
OG1 D:THR205 4.7 14.6 1.0
CA D:SER200 4.7 17.5 1.0
CG2 D:THR205 4.8 15.9 1.0
O D:GLY240 4.9 16.6 1.0
CA D:VAL203 4.9 13.5 1.0
C D:VAL204 4.9 16.8 1.0
CB D:VAL203 4.9 16.3 1.0
CA D:ALA244 5.0 15.6 1.0
CB D:SER200 5.0 28.0 1.0
N D:VAL203 5.0 15.7 1.0

Potassium binding site 8 out of 8 in 4bz5

Go back to Potassium Binding Sites List in 4bz5
Potassium binding site 8 out of 8 in the Crystal Structure of Schistosoma Mansoni HDAC8


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 8 of Crystal Structure of Schistosoma Mansoni HDAC8 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K601

b:12.1
occ:1.00
O D:VAL208 2.8 11.8 1.0
O D:ASP186 2.8 14.0 1.0
O D:HIS188 2.9 14.7 1.0
OD1 D:ASP184 2.9 14.8 1.0
O D:ASP184 3.0 14.2 1.0
OG D:SER207 3.0 13.7 1.0
N D:ASP186 3.4 14.0 1.0
CG D:ASP184 3.5 12.0 1.0
C D:ASP184 3.5 12.3 1.0
C D:ASP186 3.6 14.5 1.0
C D:VAL208 3.7 14.7 1.0
C D:HIS188 3.8 11.7 1.0
CB D:ASP184 3.8 9.9 1.0
CB D:HIS209 3.8 10.1 1.0
CA D:ASP186 3.8 11.0 1.0
CB D:ASP186 3.9 12.2 1.0
C D:LEU185 3.9 14.9 1.0
N D:VAL208 4.0 13.0 1.0
N D:LEU185 4.1 11.8 1.0
CB D:SER207 4.1 13.8 1.0
ND1 D:HIS209 4.2 11.7 1.0
CA D:ASP184 4.3 11.1 1.0
CA D:LEU185 4.3 12.8 1.0
N D:GLY190 4.3 12.5 1.0
OD2 D:ASP184 4.4 13.9 1.0
CA D:HIS209 4.4 11.3 1.0
CA D:HIS189 4.4 11.4 1.0
CA D:SER207 4.4 12.9 1.0
N D:HIS189 4.4 10.1 1.0
N D:HIS209 4.5 11.7 1.0
N D:HIS188 4.5 12.0 1.0
C D:SER207 4.5 11.8 1.0
CG D:HIS209 4.5 12.7 1.0
CA D:VAL208 4.6 14.1 1.0
O D:LEU185 4.6 15.1 1.0
C D:HIS189 4.6 12.7 1.0
N D:LEU187 4.7 10.3 1.0
C D:LEU187 4.8 13.8 1.0
CA D:HIS188 4.8 9.8 1.0
O D:HOH2181 4.8 18.1 1.0
CE1 D:HIS141 5.0 15.0 1.0

Reference:

M.Marek, S.Kannan, A.Hauser, M.Moraes Mourao, S.Caby, V.Cura, D.A.Stolfa, K.Schmidtkunz, J.Lancelot, L.Andrade, J.Renaud, G.Oliveira, W.Sippl, M.Jung, J.Cavarelli, R.J.Pierce, C.Romier. Structural Basis For the Inhibition of Histone Deacetylase 8 (HDAC8), A Key Epigenetic Player in the Blood Fluke Schistosoma Mansoni. Plos Pathog. V. 9 03645 2013.
ISSN: ISSN 1553-7366
PubMed: 24086136
DOI: 10.1371/JOURNAL.PPAT.1003645
Page generated: Sun Dec 13 23:27:42 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy