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Potassium in PDB 6b7f: Crystal Structure of E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with (R)-3,3-Dimethyl-4-(5-Vinyl-1H-Imidazol- 1-Yl)Isochroman-1-One

Enzymatic activity of Crystal Structure of E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with (R)-3,3-Dimethyl-4-(5-Vinyl-1H-Imidazol- 1-Yl)Isochroman-1-One

All present enzymatic activity of Crystal Structure of E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with (R)-3,3-Dimethyl-4-(5-Vinyl-1H-Imidazol- 1-Yl)Isochroman-1-One:
2.7.7.3;

Protein crystallography data

The structure of Crystal Structure of E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with (R)-3,3-Dimethyl-4-(5-Vinyl-1H-Imidazol- 1-Yl)Isochroman-1-One, PDB code: 6b7f 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) 30.36 / 2.56
Space group I 2 3
Cell size a, b, c (Å), α, β, γ (°) 135.780, 135.780, 135.780, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 20.9

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with (R)-3,3-Dimethyl-4-(5-Vinyl-1H-Imidazol- 1-Yl)Isochroman-1-One (pdb code 6b7f). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total only one binding site of Potassium was determined in the Crystal Structure of E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with (R)-3,3-Dimethyl-4-(5-Vinyl-1H-Imidazol- 1-Yl)Isochroman-1-One, PDB code: 6b7f:

Potassium binding site 1 out of 1 in 6b7f

Go back to Potassium Binding Sites List in 6b7f
Potassium binding site 1 out of 1 in the Crystal Structure of E.Coli Phosphopantetheine Adenylyltransferase (Ppat/Coad) in Complex with (R)-3,3-Dimethyl-4-(5-Vinyl-1H-Imidazol- 1-Yl)Isochroman-1-One


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 (R)-3,3-Dimethyl-4-(5-Vinyl-1H-Imidazol- 1-Yl)Isochroman-1-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K202

b:98.0
occ:1.00
 O B:HOH340 3.0 46.9 1.0
O B:DMS201 3.3 77.6 1.0
CG1 B:ILE21 4.1 25.0 1.0
NH2 B:ARG91 4.1 83.0 1.0
CA B:GLY89 4.3 27.7 1.0
CG B:PRO120 4.4 42.8 1.0
C B:GLY89 4.4 29.8 1.0
CG B:ARG91 4.5 73.2 1.0
CB B:PRO120 4.5 43.3 1.0
O B:GLY17 4.5 31.1 1.0
CD1 B:ILE21 4.6 17.8 1.0
O B:GLY89 4.6 41.0 1.0
C B:GLY17 4.7 33.2 1.0
OH B:TYR7 4.7 34.9 1.0
CD B:PRO120 4.8 41.7 1.0
S B:DMS201 4.8 77.5 1.0
CZ B:ARG91 4.8 80.4 1.0
O B:HOH309 4.9 36.1 1.0
N B:LEU90 4.9 35.9 1.0
CB B:ARG91 5.0 66.1 1.0
CA B:GLY17 5.0 29.2 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 Aug 12 15:26:11 2024

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