Atomistry » Potassium » PDB 4mlz-4pjo » 4nal
Atomistry »
  Potassium »
    PDB 4mlz-4pjo »
      4nal »

Potassium in PDB 4nal: Arabidopsis Thaliana Ispd in Complex with Tribromodichloro-Pseudilin

Enzymatic activity of Arabidopsis Thaliana Ispd in Complex with Tribromodichloro-Pseudilin

All present enzymatic activity of Arabidopsis Thaliana Ispd in Complex with Tribromodichloro-Pseudilin:
2.7.7.60;

Protein crystallography data

The structure of Arabidopsis Thaliana Ispd in Complex with Tribromodichloro-Pseudilin, PDB code: 4nal was solved by A.Kunfermann, M.Witschel, B.Illarionov, R.Martin, M.Rottmann, H.W.Hoffken, M.Seet, W.Eisenreich, H.-J.Knolker, M.Fischer, A.Bacher, M.Groll, F.Diederich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.80
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 74.460, 74.460, 224.500, 90.00, 90.00, 120.00
R / Rfree (%) 20.5 / 24.6

Other elements in 4nal:

The structure of Arabidopsis Thaliana Ispd in Complex with Tribromodichloro-Pseudilin also contains other interesting chemical elements:

Cadmium (Cd) 5 atoms
Bromine (Br) 3 atoms
Chlorine (Cl) 2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Arabidopsis Thaliana Ispd in Complex with Tribromodichloro-Pseudilin (pdb code 4nal). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 7 binding sites of Potassium where determined in the Arabidopsis Thaliana Ispd in Complex with Tribromodichloro-Pseudilin, PDB code: 4nal:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7;

Potassium binding site 1 out of 7 in 4nal

Go back to Potassium Binding Sites List in 4nal
Potassium binding site 1 out of 7 in the Arabidopsis Thaliana Ispd in Complex with Tribromodichloro-Pseudilin


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Arabidopsis Thaliana Ispd in Complex with Tribromodichloro-Pseudilin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K408

b:62.1
occ:1.00
 OD2 A:ASP290 2.9 52.6 1.0
OD1 A:ASP290 3.1 64.4 1.0
CG A:ASP290 3.4 59.6 1.0
OG1 A:THR286 4.1 91.5 1.0
O A:LYS284 4.2 53.9 1.0
OG1 A:THR287 4.5 63.4 1.0
CG2 A:THR287 4.7 59.2 1.0
CB A:ASP290 4.9 61.9 1.0
O A:HOH534 5.0 40.0 1.0

Potassium binding site 2 out of 7 in 4nal

Go back to Potassium Binding Sites List in 4nal
Potassium binding site 2 out of 7 in the Arabidopsis Thaliana Ispd in Complex with Tribromodichloro-Pseudilin


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Arabidopsis Thaliana Ispd in Complex with Tribromodichloro-Pseudilin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K409

b:60.7
occ:0.33
 S1 A:DTT402 2.8 58.9 1.0
O A:HOH549 3.0 61.1 1.0
CB A:ALA199 3.9 27.1 1.0
O3 A:DTT402 4.0 67.5 1.0
S4 A:DTT402 4.2 52.8 1.0
C1 A:DTT402 4.3 54.2 1.0
C2 A:DTT402 4.7 60.2 1.0
O A:HOH544 4.7 44.5 1.0
C3 A:DTT402 4.8 60.3 1.0

Potassium binding site 3 out of 7 in 4nal

Go back to Potassium Binding Sites List in 4nal
Potassium binding site 3 out of 7 in the Arabidopsis Thaliana Ispd in Complex with Tribromodichloro-Pseudilin


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Arabidopsis Thaliana Ispd in Complex with Tribromodichloro-Pseudilin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K410

b:53.9
occ:1.00
 O A:ILE283 2.7 38.9 1.0
OD1 A:ASN282 2.9 30.8 1.0
N A:LEU184 3.0 34.3 1.0
N A:ILE283 3.3 39.3 1.0
C A:ASN282 3.4 36.9 1.0
CA A:ASN282 3.4 35.4 1.0
C A:ARG182 3.4 34.7 1.0
N A:PRO183 3.6 36.7 1.0
CA A:ARG182 3.6 35.0 1.0
CA A:LEU184 3.6 37.5 1.0
CB A:LEU184 3.7 41.6 1.0
C A:ILE283 3.7 40.6 1.0
O A:THR281 3.8 39.2 1.0
N A:VAL185 3.8 30.3 1.0
CD A:PRO183 3.9 38.2 1.0
O A:ARG182 3.9 32.9 1.0
CB A:ARG182 3.9 30.9 1.0
C A:LEU184 3.9 32.2 1.0
CG A:ASN282 3.9 31.6 1.0
O A:ASN282 4.0 37.3 1.0
C A:PRO183 4.1 37.5 1.0
CA A:ILE283 4.1 39.6 1.0
CG A:LEU184 4.1 47.0 1.0
CB A:ASN282 4.3 32.9 1.0
CA A:PRO183 4.3 37.2 1.0
CG A:PRO183 4.4 40.1 1.0
N A:ASN282 4.5 35.6 1.0
CG A:ARG182 4.5 32.4 1.0
CD1 A:LEU184 4.5 48.9 1.0
C A:THR281 4.6 39.0 1.0
CG1 A:ILE283 4.6 43.2 1.0
O A:LEU184 4.7 34.8 1.0
CA A:VAL185 4.9 29.5 1.0
N A:LYS284 4.9 41.4 1.0

Potassium binding site 4 out of 7 in 4nal

Go back to Potassium Binding Sites List in 4nal
Potassium binding site 4 out of 7 in the Arabidopsis Thaliana Ispd in Complex with Tribromodichloro-Pseudilin


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Arabidopsis Thaliana Ispd in Complex with Tribromodichloro-Pseudilin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K411

b:58.2
occ:1.00
 OG A:SER112 2.7 32.8 1.0
O A:SER180 2.7 38.3 1.0
O A:ILE108 2.8 43.3 1.0
N A:SER112 3.3 36.6 1.0
O A:ALA109 3.4 39.8 1.0
CB A:SER112 3.4 37.9 1.0
CA A:PRO183 3.4 37.2 1.0
CA A:ALA109 3.6 44.0 1.0
C A:ALA109 3.6 45.2 1.0
C A:SER180 3.6 39.1 1.0
C A:ILE108 3.7 45.6 1.0
N A:PRO183 3.8 36.7 1.0
O A:ARG182 3.9 32.9 1.0
CA A:SER112 3.9 36.1 1.0
CA A:SER180 3.9 36.3 1.0
C A:ARG182 4.0 34.7 1.0
CB A:PRO183 4.1 38.8 1.0
N A:ALA109 4.1 44.0 1.0
N A:TYR111 4.2 36.9 1.0
C A:TYR111 4.3 38.7 1.0
CB A:TYR111 4.4 42.0 1.0
CG2 A:ILE108 4.4 47.2 1.0
CB A:SER180 4.4 40.4 1.0
CA A:TYR111 4.5 39.5 1.0
CD A:PRO183 4.5 38.2 1.0
N A:LEU110 4.6 44.9 1.0
C A:PRO183 4.6 37.5 1.0
N A:ARG182 4.6 38.3 1.0
O A:PRO183 4.7 38.4 1.0
N A:PHE113 4.7 33.3 1.0
N A:ALA181 4.8 40.2 1.0
C A:SER112 4.9 32.5 1.0
CB A:ALA109 4.9 44.8 1.0
NE2 A:HIS178 4.9 26.9 1.0
CA A:ARG182 4.9 35.0 1.0
C A:LEU110 5.0 37.9 1.0
CA A:ILE108 5.0 49.1 1.0
O A:ASP179 5.0 31.2 1.0
CG A:PRO183 5.0 40.1 1.0

Potassium binding site 5 out of 7 in 4nal

Go back to Potassium Binding Sites List in 4nal
Potassium binding site 5 out of 7 in the Arabidopsis Thaliana Ispd in Complex with Tribromodichloro-Pseudilin


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Arabidopsis Thaliana Ispd in Complex with Tribromodichloro-Pseudilin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K412

b:46.0
occ:1.00
 O A:MET119 2.7 33.2 1.0
NZ A:LYS77 2.7 24.1 1.0
O A:SER117 2.8 35.9 1.0
O A:VAL122 3.2 33.0 1.0
O A:ASP145 3.2 47.8 1.0
CG1 A:VAL146 3.4 45.3 1.0
C A:MET119 3.5 30.4 1.0
C A:SER117 3.8 32.9 1.0
C A:ASP145 3.9 49.8 1.0
N A:MET119 4.1 31.7 1.0
CA A:PRO120 4.1 34.6 1.0
N A:PRO120 4.2 33.8 1.0
CB A:ASP145 4.2 59.1 1.0
CE A:LYS77 4.2 39.7 1.0
C A:VAL122 4.3 32.4 1.0
C A:ARG118 4.3 36.3 1.0
CA A:MET119 4.5 30.4 1.0
O A:PHE116 4.5 25.2 1.0
N A:VAL146 4.6 45.9 1.0
CB A:VAL122 4.6 27.9 1.0
C A:PRO120 4.6 34.4 1.0
CA A:ASP145 4.6 51.7 1.0
N A:ARG118 4.6 33.0 1.0
CA A:SER117 4.6 31.8 1.0
O A:PRO120 4.7 36.2 1.0
O A:ARG118 4.7 36.7 1.0
N A:VAL122 4.7 28.2 1.0
CB A:VAL146 4.7 46.2 1.0
CA A:ARG118 4.7 35.9 1.0
CA A:VAL122 4.7 29.0 1.0
CA A:VAL146 4.8 45.4 1.0
CD A:LYS77 4.9 53.0 1.0

Potassium binding site 6 out of 7 in 4nal

Go back to Potassium Binding Sites List in 4nal
Potassium binding site 6 out of 7 in the Arabidopsis Thaliana Ispd in Complex with Tribromodichloro-Pseudilin


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of Arabidopsis Thaliana Ispd in Complex with Tribromodichloro-Pseudilin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K413

b:52.5
occ:1.00
 OD2 A:ASP189 2.6 33.1 1.0
O A:HOH501 2.6 29.3 1.0
O A:HOH509 2.7 34.4 1.0
N A:ASN186 3.3 30.5 1.0
CG A:ASP189 3.5 32.0 1.0
CB A:ASP189 3.6 28.1 1.0
ND2 A:ASN186 3.7 47.2 1.0
CB A:ASN282 3.7 32.9 1.0
CA A:VAL185 3.9 29.5 1.0
OG A:SER279 3.9 39.7 1.0
CB A:SER279 4.0 37.4 1.0
CB A:ASN186 4.0 39.4 1.0
CG2 A:VAL185 4.0 29.0 1.0
C A:VAL185 4.1 30.4 1.0
CG A:ASN186 4.1 45.4 1.0
N A:SER279 4.1 30.6 1.0
CG A:ASN282 4.2 31.6 1.0
CA A:ASN186 4.2 32.7 1.0
ND2 A:ASN282 4.4 29.0 1.0
O A:LEU184 4.5 34.8 1.0
CB A:VAL185 4.5 29.1 1.0
O A:SER279 4.6 32.3 1.0
CA A:SER279 4.6 33.3 1.0
OD1 A:ASP189 4.6 34.1 1.0
CA A:ASN282 4.7 35.4 1.0
O A:ASN186 4.7 28.0 1.0
OG1 A:THR281 4.7 38.4 1.0
N A:ASN282 4.7 35.6 1.0
OD1 A:ASN282 4.8 30.8 1.0
CD1 A:LEU205 4.8 26.9 1.0
N A:VAL185 4.9 30.3 1.0
OD1 A:ASN186 4.9 52.8 1.0
C A:ASN186 5.0 30.8 1.0
C A:SER279 5.0 33.9 1.0
CA A:ASP189 5.0 27.0 1.0

Potassium binding site 7 out of 7 in 4nal

Go back to Potassium Binding Sites List in 4nal
Potassium binding site 7 out of 7 in the Arabidopsis Thaliana Ispd in Complex with Tribromodichloro-Pseudilin


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 7 of Arabidopsis Thaliana Ispd in Complex with Tribromodichloro-Pseudilin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K414

b:43.0
occ:1.00
 O A:HOH507 2.7 46.1 1.0
OD2 A:ASP147 2.7 67.8 1.0
CG A:ASP147 3.9 63.8 1.0
CE A:LYS123 4.1 63.6 1.0
NZ A:LYS123 4.2 49.0 1.0
OD1 A:ASP147 4.3 67.4 1.0
OD2 A:ASP169 4.4 37.5 1.0

Reference:

A.Kunfermann, M.Witschel, B.Illarionov, R.Martin, M.Rottmann, H.W.Hoffken, M.Seet, W.Eisenreich, H.J.Knolker, M.Fischer, A.Bacher, M.Groll, F.Diederich. Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme Ispd. Angew.Chem.Int.Ed.Engl. V. 53 2235 2014.
ISSN: ISSN 1433-7851
PubMed: 24446431
DOI: 10.1002/ANIE.201309557
Page generated: Mon Aug 12 11:38:02 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy