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Sodium in PDB 1sve: Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 1

Enzymatic activity of Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 1

All present enzymatic activity of Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 1:
2.7.1.37;

Protein crystallography data

The structure of Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 1, PDB code: 1sve was solved by C.B.Breitenlechner, T.Wegge, L.Berillon, K.Graul, K.Marzenell, W.-G.Friebe, U.Thomas, R.Schumacher, R.Huber, R.A.Engh, B.Masjost, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.94 / 2.49
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 74.240, 76.320, 79.740, 90.00, 90.00, 90.00
R / Rfree (%) 19.9 / 25.7

Other elements in 1sve:

The structure of Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 1 also contains other interesting chemical elements:

Fluorine (F) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 1 (pdb code 1sve). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 1, PDB code: 1sve:

Sodium binding site 1 out of 1 in 1sve

Go back to Sodium Binding Sites List in 1sve
Sodium binding site 1 out of 1 in the Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 1


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na900

b:29.2
occ:1.00
O1P A:SEP10 2.2 42.1 1.0
P A:SEP10 3.6 43.6 1.0
CB A:SEP10 3.7 42.6 1.0
OG A:SEP10 3.9 42.8 1.0
O2P A:SEP10 4.4 42.0 1.0
O3P A:SEP10 4.8 42.1 1.0
CA A:SEP10 5.0 42.8 1.0

Reference:

C.B.Breitenlechner, T.Wegge, L.Berillon, K.Graul, K.Marzenell, W.-G.Friebe, U.Thomas, R.Schumacher, R.Huber, R.A.Engh, B.Masjost. Structure-Based Optimization of Novel Azepane Derivatives As Pkb Inhibitors J.Med.Chem. V. 47 1375 2004.
ISSN: ISSN 0022-2623
PubMed: 14998327
DOI: 10.1021/JM0310479
Page generated: Tue Dec 15 05:36:11 2020

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