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Sodium in PDB 7awh: Crystal Structure of Human Butyrylcholinesterase in Complex with Tert- Butyl 3-(((2-((1-(Benzenesulfonyl)-1H-Indol-4-Yl)Oxy)Ethyl)Amino) Methyl)Piperidine-1-Carboxylate

Enzymatic activity of Crystal Structure of Human Butyrylcholinesterase in Complex with Tert- Butyl 3-(((2-((1-(Benzenesulfonyl)-1H-Indol-4-Yl)Oxy)Ethyl)Amino) Methyl)Piperidine-1-Carboxylate

All present enzymatic activity of Crystal Structure of Human Butyrylcholinesterase in Complex with Tert- Butyl 3-(((2-((1-(Benzenesulfonyl)-1H-Indol-4-Yl)Oxy)Ethyl)Amino) Methyl)Piperidine-1-Carboxylate:
3.1.1.8;

Protein crystallography data

The structure of Crystal Structure of Human Butyrylcholinesterase in Complex with Tert- Butyl 3-(((2-((1-(Benzenesulfonyl)-1H-Indol-4-Yl)Oxy)Ethyl)Amino) Methyl)Piperidine-1-Carboxylate, PDB code: 7awh was solved by X.Brazzolotto, T.Wichur, A.Wieckowska, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.85 / 2.30
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 154.47, 154.47, 127.42, 90, 90, 90
R / Rfree (%) 19.2 / 22.2

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Human Butyrylcholinesterase in Complex with Tert- Butyl 3-(((2-((1-(Benzenesulfonyl)-1H-Indol-4-Yl)Oxy)Ethyl)Amino) Methyl)Piperidine-1-Carboxylate (pdb code 7awh). 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 Human Butyrylcholinesterase in Complex with Tert- Butyl 3-(((2-((1-(Benzenesulfonyl)-1H-Indol-4-Yl)Oxy)Ethyl)Amino) Methyl)Piperidine-1-Carboxylate, PDB code: 7awh:

Sodium binding site 1 out of 1 in 7awh

Go back to Sodium Binding Sites List in 7awh
Sodium binding site 1 out of 1 in the Crystal Structure of Human Butyrylcholinesterase in Complex with Tert- Butyl 3-(((2-((1-(Benzenesulfonyl)-1H-Indol-4-Yl)Oxy)Ethyl)Amino) Methyl)Piperidine-1-Carboxylate


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 Human Butyrylcholinesterase in Complex with Tert- Butyl 3-(((2-((1-(Benzenesulfonyl)-1H-Indol-4-Yl)Oxy)Ethyl)Amino) Methyl)Piperidine-1-Carboxylate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na613

b:80.0
occ:1.00
 NE2 A:HIS372 3.6 65.9 0.6
CD2 A:HIS372 4.3 64.5 0.6
CA A:PHE521 4.5 65.5 1.0
CE1 A:HIS372 4.5 63.4 0.6
N A:PHE521 4.7 60.3 1.0
CB A:PHE525 4.8 71.0 1.0
CB A:PHE521 4.8 58.7 1.0
C A:ARG520 5.0 60.8 1.0

Reference:

X.Brazzolotto, T.Wichur, A.Wieckowska. Crystal Structure of Human Butyrylcholinesterase in Complex with (2-((1-(Benzenesulfonyl)-1H-Indol-4-Yl)Oxy)Ethyl) (Benzyl)Amine To Be Published.
DOI: 10.1016/J.EJMECH.2021.113792
Page generated: Tue Oct 8 16:03:45 2024

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