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Sodium in PDB 7q1n: Crystal Structure of Human Butyrylcholinesterase in Complex with N- [(2R)-3-[(Cyclohexylmethyl)Amino]-2-Hydroxypropyl]-2,2- Diphenylacetamide

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

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

Protein crystallography data

The structure of Crystal Structure of Human Butyrylcholinesterase in Complex with N- [(2R)-3-[(Cyclohexylmethyl)Amino]-2-Hydroxypropyl]-2,2- Diphenylacetamide, PDB code: 7q1n 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) 109.10 / 2.35
Space group I 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 154.26, 154.26, 127.83, 90, 90, 90
R / Rfree (%) 17.6 / 22.6

Other elements in 7q1n:

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

Chlorine (Cl) 13 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Human Butyrylcholinesterase in Complex with N- [(2R)-3-[(Cyclohexylmethyl)Amino]-2-Hydroxypropyl]-2,2- Diphenylacetamide (pdb code 7q1n). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Human Butyrylcholinesterase in Complex with N- [(2R)-3-[(Cyclohexylmethyl)Amino]-2-Hydroxypropyl]-2,2- Diphenylacetamide, PDB code: 7q1n:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in 7q1n

Go back to Sodium Binding Sites List in 7q1n
Sodium binding site 1 out of 2 in the Crystal Structure of Human Butyrylcholinesterase in Complex with N- [(2R)-3-[(Cyclohexylmethyl)Amino]-2-Hydroxypropyl]-2,2- Diphenylacetamide


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- [(2R)-3-[(Cyclohexylmethyl)Amino]-2-Hydroxypropyl]-2,2- Diphenylacetamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na623

b:92.3
occ:0.50
 CZ A:PHE525 2.8 84.5 1.0
CE2 A:PHE525 2.9 83.8 1.0
CE1 A:PHE525 3.0 85.4 1.0
CD2 A:PHE525 3.3 83.0 1.0
CD1 A:PHE525 3.4 94.1 1.0
CG A:PHE525 3.5 85.9 1.0
CE1 A:HIS372 4.2 74.9 0.4
CL A:CL620 4.4 80.5 0.5
CB A:PHE525 4.6 81.1 1.0
NE2 A:HIS372 4.7 76.7 0.4
CZ A:PHE364 4.9 72.6 1.0

Sodium binding site 2 out of 2 in 7q1n

Go back to Sodium Binding Sites List in 7q1n
Sodium binding site 2 out of 2 in the Crystal Structure of Human Butyrylcholinesterase in Complex with N- [(2R)-3-[(Cyclohexylmethyl)Amino]-2-Hydroxypropyl]-2,2- Diphenylacetamide


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of Human Butyrylcholinesterase in Complex with N- [(2R)-3-[(Cyclohexylmethyl)Amino]-2-Hydroxypropyl]-2,2- Diphenylacetamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na624

b:94.1
occ:1.00
 CL A:CL612 2.5 95.9 1.0
O A:HOH779 2.8 74.2 1.0
CL A:CL611 3.1 92.7 1.0
NH1 A:ARG515 3.3 70.4 1.0
CD1 A:LEU514 4.5 50.8 1.0
OH A:TYR420 4.5 66.9 1.0
O A:HOH821 4.6 72.5 1.0
CZ A:ARG515 4.6 74.9 1.0
CE2 A:TYR420 4.7 56.8 1.0
CZ A:TYR420 4.8 62.2 1.0
O A:HOH810 4.8 71.9 1.0
OH A:TYR500 5.0 57.3 1.0

Reference:

X.Brazzolotto, D.Panek, A.Pasieka, B.Malawska, F.Nachon. Crystal Structure of Human Butyrylcholinesterase in Complex with N-[(2R)-3-[(Cyclohexylmethyl)Amino]-2-Hydroxypropyl]-2, 2-Diphenylacetamide To Be Published.
Page generated: Tue Oct 8 18:34:50 2024

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