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Sodium in PDB 7q1o: Crystal Structure of Human Butyrylcholinesterase in Complex with N- [(2S)-3-[(Cyclohexylmethyl)Amino]-2-Hydroxypropyl]-3,3- Diphenylpropanamide

Enzymatic activity of Crystal Structure of Human Butyrylcholinesterase in Complex with N- [(2S)-3-[(Cyclohexylmethyl)Amino]-2-Hydroxypropyl]-3,3- Diphenylpropanamide

All present enzymatic activity of Crystal Structure of Human Butyrylcholinesterase in Complex with N- [(2S)-3-[(Cyclohexylmethyl)Amino]-2-Hydroxypropyl]-3,3- Diphenylpropanamide:
3.1.1.8;

Protein crystallography data

The structure of Crystal Structure of Human Butyrylcholinesterase in Complex with N- [(2S)-3-[(Cyclohexylmethyl)Amino]-2-Hydroxypropyl]-3,3- Diphenylpropanamide, PDB code: 7q1o was solved by X.Brazzolotto, D.Panek, A.Pasieka, B.Malawska, F.Nachon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.29 / 2.65
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 154.81, 154.81, 135.25, 90, 90, 90
R / Rfree (%) 17 / 20.7

Other elements in 7q1o:

The structure of Crystal Structure of Human Butyrylcholinesterase in Complex with N- [(2S)-3-[(Cyclohexylmethyl)Amino]-2-Hydroxypropyl]-3,3- Diphenylpropanamide also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Human Butyrylcholinesterase in Complex with N- [(2S)-3-[(Cyclohexylmethyl)Amino]-2-Hydroxypropyl]-3,3- Diphenylpropanamide (pdb code 7q1o). 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 N- [(2S)-3-[(Cyclohexylmethyl)Amino]-2-Hydroxypropyl]-3,3- Diphenylpropanamide, PDB code: 7q1o:

Sodium binding site 1 out of 1 in 7q1o

Go back to Sodium Binding Sites List in 7q1o
Sodium binding site 1 out of 1 in the Crystal Structure of Human Butyrylcholinesterase in Complex with N- [(2S)-3-[(Cyclohexylmethyl)Amino]-2-Hydroxypropyl]-3,3- Diphenylpropanamide


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 N- [(2S)-3-[(Cyclohexylmethyl)Amino]-2-Hydroxypropyl]-3,3- Diphenylpropanamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na615

b:78.7
occ:1.00
 O A:HOH806 2.7 81.9 1.0
O1 A:SO4611 2.8 68.9 0.6
O3 A:SO4612 3.1 72.8 0.6
OH A:TYR500 3.8 58.2 1.0
S A:SO4611 4.1 80.3 0.6
S A:SO4612 4.3 73.2 0.6
O1 A:SO4612 4.4 68.6 0.6
O3 A:SO4611 4.4 67.9 0.6
CE2 A:TYR420 4.5 59.3 1.0
O2 A:SO4611 4.6 69.0 0.6
CD1 A:LEU514 4.7 56.2 1.0
O4 A:SO4612 4.8 70.6 0.6
CE A:MET511 4.9 89.8 1.0
CD2 A:TYR420 4.9 58.6 1.0
NH1 A:ARG515 5.0 62.5 1.0

Reference:

X.Brazzolotto, D.Panek, A.Pasieka, B.Malawska, F.Nachon. Crystal Structure of Human Butyrylcholinesterase in Complex with N-[(2S)-3-[(Cyclohexylmethyl)Amino]-2-Hydroxypropyl]-3, 3-Diphenylpropanamide To Be Published.
Page generated: Tue Oct 8 18:35:09 2024

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