Atomistry » Potassium » PDB 5zod-6b7f » 6b7d
Atomistry »
  Potassium »
    PDB 5zod-6b7f »
      6b7d »

Potassium in PDB 6b7d: Crystal Structure of E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with 3-(4-Chlorophenyl)-6-Methoxy-4,5- Dimethylpyridazine

Enzymatic activity of Crystal Structure of E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with 3-(4-Chlorophenyl)-6-Methoxy-4,5- Dimethylpyridazine

All present enzymatic activity of Crystal Structure of E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with 3-(4-Chlorophenyl)-6-Methoxy-4,5- Dimethylpyridazine:
2.7.7.3;

Protein crystallography data

The structure of Crystal Structure of E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with 3-(4-Chlorophenyl)-6-Methoxy-4,5- Dimethylpyridazine, PDB code: 6b7d was solved by A.W.Proudfoot, D.Bussiere, A.Lingel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.78 / 1.80
Space group I 2 3
Cell size a, b, c (Å), α, β, γ (°) 134.990, 134.990, 134.990, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 19.7

Other elements in 6b7d:

The structure of Crystal Structure of E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with 3-(4-Chlorophenyl)-6-Methoxy-4,5- Dimethylpyridazine also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with 3-(4-Chlorophenyl)-6-Methoxy-4,5- Dimethylpyridazine (pdb code 6b7d). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Crystal Structure of E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with 3-(4-Chlorophenyl)-6-Methoxy-4,5- Dimethylpyridazine, PDB code: 6b7d:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in 6b7d

Go back to Potassium Binding Sites List in 6b7d
Potassium binding site 1 out of 2 in the Crystal Structure of E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with 3-(4-Chlorophenyl)-6-Methoxy-4,5- Dimethylpyridazine


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 E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with 3-(4-Chlorophenyl)-6-Methoxy-4,5- Dimethylpyridazine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K206

b:47.3
occ:1.00
 O3 B:SO4204 2.6 57.0 1.0
O4 B:SO4202 2.7 28.6 1.0
O B:HOH388 3.0 20.5 1.0
N B:PHE11 3.3 15.8 1.0
O2 B:SO4202 3.5 38.8 1.0
N B:THR10 3.5 15.1 1.0
NE2 B:HIS18 3.6 18.8 1.0
S B:SO4202 3.6 34.4 1.0
S B:SO4204 3.9 62.0 1.0
CA B:PHE11 4.1 15.9 1.0
CE1 B:HIS18 4.1 18.5 1.0
CA B:THR10 4.1 15.8 1.0
C B:THR10 4.2 15.3 1.0
CB B:THR10 4.2 17.6 1.0
O1 B:SO4204 4.3 61.1 1.0
C B:GLY9 4.3 15.8 1.0
CA B:GLY9 4.4 16.1 1.0
CD2 B:HIS18 4.5 18.7 1.0
O2 B:SO4204 4.6 62.2 1.0
O1 B:SO4202 4.6 34.1 1.0
O3 B:SO4202 4.6 36.0 1.0
O B:HOH472 4.7 25.4 1.0
CD1 B:PHE11 4.7 16.1 1.0
O B:HOH419 4.7 41.5 0.9
CG B:PHE11 4.8 15.4 1.0
O4 B:SO4204 4.9 76.3 1.0
OG B:SER129 4.9 20.6 1.0
OG1 B:THR10 4.9 21.0 1.0

Potassium binding site 2 out of 2 in 6b7d

Go back to Potassium Binding Sites List in 6b7d
Potassium binding site 2 out of 2 in the Crystal Structure of E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with 3-(4-Chlorophenyl)-6-Methoxy-4,5- Dimethylpyridazine


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 E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with 3-(4-Chlorophenyl)-6-Methoxy-4,5- Dimethylpyridazine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K207

b:63.5
occ:1.00
 O B:HOH380 3.8 30.8 1.0
CG1 B:ILE21 3.9 15.6 1.0
CA B:GLY89 4.0 18.7 1.0
CG B:PRO120 4.1 21.8 1.0
C B:GLY89 4.2 24.7 1.0
CD1 B:ILE21 4.4 14.0 1.0
CB B:PRO120 4.4 22.4 1.0
O B:GLY89 4.4 27.3 1.0
NH1 B:ARG91 4.5 49.4 1.0
CD B:PRO120 4.5 21.9 1.0
O B:GLY17 4.6 15.0 1.0
CB B:ARG91 4.6 50.3 1.0
N B:LEU90 4.7 23.1 1.0
CD B:ARG91 4.7 51.2 1.0
C B:GLY17 4.8 14.7 1.0
OH B:TYR7 4.8 15.5 1.0
CG B:ARG91 5.0 50.8 1.0
N B:GLY89 5.0 17.8 1.0
O B:HOH448 5.0 29.7 1.0

Reference:

A.Proudfoot, D.E.Bussiere, A.Lingel. High-Confidence Protein-Ligand Complex Modeling By uc(Nmr)-Guided Docking Enables Early Hit Optimization. J. Am. Chem. Soc. V. 139 17824 2017.
ISSN: ESSN 1520-5126
PubMed: 29190085
DOI: 10.1021/JACS.7B07171
Page generated: Mon Dec 14 00:17:54 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