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Fluorine in PDB 3skg: Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1-Pyrrolidinyl)-N- ((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-(1,2,3,4-Tetrahydro-3- Isoquinolinyl)Ethyl)-4-Phenylbutanamide

Enzymatic activity of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1-Pyrrolidinyl)-N- ((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-(1,2,3,4-Tetrahydro-3- Isoquinolinyl)Ethyl)-4-Phenylbutanamide

All present enzymatic activity of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1-Pyrrolidinyl)-N- ((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-(1,2,3,4-Tetrahydro-3- Isoquinolinyl)Ethyl)-4-Phenylbutanamide:
3.4.23.46;

Protein crystallography data

The structure of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1-Pyrrolidinyl)-N- ((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-(1,2,3,4-Tetrahydro-3- Isoquinolinyl)Ethyl)-4-Phenylbutanamide, PDB code: 3skg was solved by J.K.Muckelbauer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.63 / 2.88
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 86.240, 130.451, 86.872, 90.00, 96.65, 90.00
R / Rfree (%) 25.5 / 34.8

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1-Pyrrolidinyl)-N- ((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-(1,2,3,4-Tetrahydro-3- Isoquinolinyl)Ethyl)-4-Phenylbutanamide (pdb code 3skg). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1-Pyrrolidinyl)-N- ((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-(1,2,3,4-Tetrahydro-3- Isoquinolinyl)Ethyl)-4-Phenylbutanamide, PDB code: 3skg:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 3skg

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Fluorine binding site 1 out of 8 in the Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1-Pyrrolidinyl)-N- ((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-(1,2,3,4-Tetrahydro-3- Isoquinolinyl)Ethyl)-4-Phenylbutanamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1-Pyrrolidinyl)-N- ((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-(1,2,3,4-Tetrahydro-3- Isoquinolinyl)Ethyl)-4-Phenylbutanamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F394

b:17.6
occ:1.00
 F47 A:PB8394 0.0 17.6 1.0
C17 A:PB8394 1.4 11.1 1.0
C12 A:PB8394 2.3 10.1 1.0
C10 A:PB8394 2.4 8.6 1.0
C30 A:PB8394 3.1 9.1 1.0
CD1 A:ILE110 3.2 16.6 1.0
CZ2 A:TRP115 3.2 16.7 1.0
C18 A:PB8394 3.5 12.7 1.0
C37 A:PB8394 3.5 3.9 1.0
CH2 A:TRP115 3.6 14.4 1.0
C16 A:PB8394 3.6 9.2 1.0
O A:PHE108 3.7 21.9 1.0
C11 A:PB8394 4.0 10.9 1.0
CG1 A:ILE110 4.0 14.3 1.0
CD2 A:LEU30 4.2 8.0 1.0
CE2 A:TRP115 4.3 14.7 1.0
C24 A:PB8394 4.3 10.9 1.0
C33 A:PB8394 4.4 7.7 1.0
F48 A:PB8394 4.6 19.3 1.0
CD1 A:LEU30 4.7 5.7 1.0
C29 A:PB8394 4.7 4.6 1.0
CZ3 A:TRP115 4.8 14.4 1.0
C A:PHE108 4.8 19.9 1.0
CE1 A:PHE108 4.9 15.5 1.0
NE1 A:TRP115 4.9 10.2 1.0
C32 A:PB8394 4.9 10.7 1.0
C25 A:PB8394 4.9 12.7 1.0
CB A:ILE110 5.0 16.5 1.0

Fluorine binding site 2 out of 8 in 3skg

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Fluorine binding site 2 out of 8 in the Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1-Pyrrolidinyl)-N- ((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-(1,2,3,4-Tetrahydro-3- Isoquinolinyl)Ethyl)-4-Phenylbutanamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1-Pyrrolidinyl)-N- ((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-(1,2,3,4-Tetrahydro-3- Isoquinolinyl)Ethyl)-4-Phenylbutanamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F394

b:19.3
occ:1.00
 F48 A:PB8394 0.0 19.3 1.0
C18 A:PB8394 1.3 12.7 1.0
C12 A:PB8394 2.3 10.1 1.0
C11 A:PB8394 2.3 10.9 1.0
O A:GLN73 3.1 34.5 1.0
CD2 A:TYR71 3.2 16.8 1.0
CD1 A:PHE108 3.3 13.2 1.0
CB A:TYR71 3.3 20.6 1.0
CG A:TYR71 3.5 19.4 1.0
C17 A:PB8394 3.5 11.1 1.0
C16 A:PB8394 3.6 9.2 1.0
CE1 A:PHE108 3.9 15.5 1.0
CA A:GLY74 4.0 31.4 1.0
C A:GLY74 4.0 30.3 1.0
C10 A:PB8394 4.1 8.6 1.0
CA A:PHE108 4.1 20.2 1.0
O A:GLY74 4.1 28.9 1.0
C A:GLN73 4.2 34.0 1.0
CE2 A:TYR71 4.3 16.8 1.0
CG A:PHE108 4.3 15.5 1.0
O A:LYS107 4.4 28.9 1.0
O A:PHE108 4.5 21.9 1.0
O A:HOH414 4.5 6.2 1.0
CB A:PHE108 4.5 19.7 1.0
N A:GLY74 4.6 32.7 1.0
N A:LYS75 4.6 27.8 1.0
F47 A:PB8394 4.6 17.6 1.0
O45 A:PB8394 4.6 10.4 1.0
CD1 A:TYR71 4.7 21.9 1.0
CA A:TYR71 4.7 22.8 1.0
C25 A:PB8394 4.8 12.7 1.0
C A:PHE108 4.8 19.9 1.0
C32 A:PB8394 4.9 10.7 1.0

Fluorine binding site 3 out of 8 in 3skg

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Fluorine binding site 3 out of 8 in the Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1-Pyrrolidinyl)-N- ((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-(1,2,3,4-Tetrahydro-3- Isoquinolinyl)Ethyl)-4-Phenylbutanamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1-Pyrrolidinyl)-N- ((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-(1,2,3,4-Tetrahydro-3- Isoquinolinyl)Ethyl)-4-Phenylbutanamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F394

b:4.8
occ:1.00
 F47 B:PB8394 0.0 4.8 1.0
C17 B:PB8394 1.3 5.4 1.0
C10 B:PB8394 2.3 8.8 1.0
C12 B:PB8394 2.4 5.7 1.0
CZ2 B:TRP115 3.0 12.2 1.0
CH2 B:TRP115 3.3 12.3 1.0
C29 B:PB8394 3.6 3.3 1.0
C16 B:PB8394 3.7 7.1 1.0
C18 B:PB8394 3.7 9.0 1.0
CD1 B:ILE110 3.7 17.4 1.0
O B:PHE108 4.0 12.5 1.0
CG1 B:ILE110 4.1 16.6 1.0
C11 B:PB8394 4.2 6.9 1.0
C33 B:PB8394 4.2 11.9 1.0
C37 B:PB8394 4.3 9.9 1.0
CE2 B:TRP115 4.3 11.8 1.0
C30 B:PB8394 4.4 9.8 1.0
CD2 B:LEU30 4.4 7.8 1.0
C24 B:PB8394 4.5 10.4 1.0
CZ3 B:TRP115 4.6 11.6 1.0
C25 B:PB8394 4.7 11.6 1.0
F48 B:PB8394 4.8 15.8 1.0
C32 B:PB8394 4.8 10.0 1.0
NE1 B:TRP115 5.0 12.7 1.0

Fluorine binding site 4 out of 8 in 3skg

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Fluorine binding site 4 out of 8 in the Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1-Pyrrolidinyl)-N- ((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-(1,2,3,4-Tetrahydro-3- Isoquinolinyl)Ethyl)-4-Phenylbutanamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1-Pyrrolidinyl)-N- ((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-(1,2,3,4-Tetrahydro-3- Isoquinolinyl)Ethyl)-4-Phenylbutanamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F394

b:15.8
occ:1.00
 F48 B:PB8394 0.0 15.8 1.0
C18 B:PB8394 1.3 9.0 1.0
C12 B:PB8394 2.4 5.7 1.0
C11 B:PB8394 2.4 6.9 1.0
O B:GLN73 2.8 27.9 1.0
C16 B:PB8394 3.6 7.1 1.0
C17 B:PB8394 3.6 5.4 1.0
CD1 B:PHE108 3.7 12.9 1.0
CD2 B:TYR71 3.7 17.4 1.0
CA B:GLY74 3.8 28.6 1.0
C B:GLN73 4.0 29.2 1.0
O B:LYS107 4.0 21.4 1.0
CB B:TYR71 4.0 17.1 1.0
C B:GLY74 4.0 28.1 1.0
C10 B:PB8394 4.1 8.8 1.0
CA B:PHE108 4.1 14.1 1.0
CG B:TYR71 4.2 16.6 1.0
O B:GLY74 4.3 28.4 1.0
CB B:PHE108 4.4 13.4 1.0
N B:GLY74 4.4 28.9 1.0
N B:LYS75 4.5 27.1 1.0
CG B:PHE108 4.5 12.6 1.0
CE1 B:PHE108 4.5 10.0 1.0
CE2 B:TYR71 4.7 13.4 1.0
O45 B:PB8394 4.7 11.7 1.0
C25 B:PB8394 4.7 11.6 1.0
F47 B:PB8394 4.8 4.8 1.0
O B:PHE108 4.8 12.5 1.0
C32 B:PB8394 4.9 10.0 1.0
C B:LYS107 4.9 19.7 1.0
C B:PHE108 5.0 13.4 1.0
N B:PHE108 5.0 18.4 1.0

Fluorine binding site 5 out of 8 in 3skg

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Fluorine binding site 5 out of 8 in the Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1-Pyrrolidinyl)-N- ((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-(1,2,3,4-Tetrahydro-3- Isoquinolinyl)Ethyl)-4-Phenylbutanamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1-Pyrrolidinyl)-N- ((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-(1,2,3,4-Tetrahydro-3- Isoquinolinyl)Ethyl)-4-Phenylbutanamide within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F394

b:9.0
occ:1.00
 F47 D:PB8394 0.0 9.0 1.0
C17 D:PB8394 1.4 8.7 1.0
C10 D:PB8394 2.4 3.8 1.0
C12 D:PB8394 2.5 8.5 1.0
CD1 D:ILE110 2.9 28.8 1.0
CH2 D:TRP115 3.1 21.7 1.0
CZ2 D:TRP115 3.2 22.6 1.0
CD2 D:LEU30 3.4 18.3 1.0
C33 D:PB8394 3.5 17.7 1.0
C16 D:PB8394 3.6 5.6 1.0
C18 D:PB8394 3.7 8.1 1.0
O D:PHE108 4.0 26.2 1.0
CG1 D:ILE110 4.2 28.8 1.0
C11 D:PB8394 4.2 5.7 1.0
CZ3 D:TRP115 4.3 21.2 1.0
C29 D:PB8394 4.3 18.8 1.0
C37 D:PB8394 4.3 19.3 1.0
CE2 D:TRP115 4.5 20.4 1.0
C30 D:PB8394 4.6 21.9 1.0
C24 D:PB8394 4.7 19.4 1.0
CG D:LEU30 4.7 18.7 1.0
C27 D:PB8394 4.7 19.5 1.0
F48 D:PB8394 4.8 15.5 1.0
C32 D:PB8394 4.8 10.5 1.0
CD1 D:LEU30 5.0 15.9 1.0

Fluorine binding site 6 out of 8 in 3skg

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Fluorine binding site 6 out of 8 in the Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1-Pyrrolidinyl)-N- ((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-(1,2,3,4-Tetrahydro-3- Isoquinolinyl)Ethyl)-4-Phenylbutanamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1-Pyrrolidinyl)-N- ((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-(1,2,3,4-Tetrahydro-3- Isoquinolinyl)Ethyl)-4-Phenylbutanamide within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F394

b:15.5
occ:1.00
 F48 D:PB8394 0.0 15.5 1.0
C18 D:PB8394 1.3 8.1 1.0
C12 D:PB8394 2.3 8.5 1.0
C11 D:PB8394 2.4 5.7 1.0
CD1 D:PHE108 3.0 26.6 1.0
O D:GLN73 3.2 43.3 1.0
CD2 D:TYR71 3.6 20.8 1.0
CE1 D:PHE108 3.6 26.1 1.0
C16 D:PB8394 3.6 5.6 1.0
C17 D:PB8394 3.7 8.7 1.0
O D:LYS107 3.7 33.9 1.0
CA D:PHE108 3.7 27.4 1.0
CG D:TYR71 3.9 23.9 1.0
CG D:PHE108 4.0 26.3 1.0
CB D:TYR71 4.0 26.5 1.0
O D:GLY74 4.0 37.6 1.0
O D:PHE108 4.1 26.2 1.0
CA D:GLY74 4.1 38.6 1.0
C D:GLY74 4.1 38.3 1.0
C10 D:PB8394 4.1 3.8 1.0
CB D:PHE108 4.2 26.3 1.0
CE2 D:TYR71 4.3 20.4 1.0
C D:GLN73 4.3 40.6 1.0
C25 D:PB8394 4.4 19.1 1.0
C D:PHE108 4.4 26.4 1.0
C D:LYS107 4.6 32.7 1.0
N D:PHE108 4.6 30.9 1.0
N D:GLY74 4.8 39.6 1.0
CD1 D:TYR71 4.8 22.1 1.0
F47 D:PB8394 4.8 9.0 1.0
N D:LYS75 4.9 35.8 1.0
CZ D:PHE108 4.9 27.4 1.0
C24 D:PB8394 4.9 19.4 1.0
C32 D:PB8394 5.0 10.5 1.0

Fluorine binding site 7 out of 8 in 3skg

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Fluorine binding site 7 out of 8 in the Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1-Pyrrolidinyl)-N- ((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-(1,2,3,4-Tetrahydro-3- Isoquinolinyl)Ethyl)-4-Phenylbutanamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1-Pyrrolidinyl)-N- ((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-(1,2,3,4-Tetrahydro-3- Isoquinolinyl)Ethyl)-4-Phenylbutanamide within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F394

b:6.3
occ:1.00
 F47 E:PB8394 0.0 6.3 1.0
C17 E:PB8394 1.4 10.8 1.0
C10 E:PB8394 2.4 14.5 1.0
C12 E:PB8394 2.5 7.9 1.0
CD2 E:LEU30 3.1 12.4 1.0
CH2 E:TRP115 3.2 26.8 1.0
CZ2 E:TRP115 3.4 27.8 1.0
C30 E:PB8394 3.6 11.8 1.0
C16 E:PB8394 3.7 12.7 1.0
C18 E:PB8394 3.7 7.0 1.0
C33 E:PB8394 4.0 15.5 1.0
O E:PHE108 4.1 26.9 1.0
CD1 E:ILE110 4.2 29.6 1.0
C11 E:PB8394 4.2 7.9 1.0
C37 E:PB8394 4.3 15.8 1.0
CZ3 E:TRP115 4.4 27.2 1.0
C24 E:PB8394 4.4 14.1 1.0
CG E:LEU30 4.4 17.0 1.0
C29 E:PB8394 4.4 17.3 1.0
CD1 E:LEU30 4.6 18.4 1.0
C25 E:PB8394 4.6 12.9 1.0
CE2 E:TRP115 4.7 25.4 1.0
F48 E:PB8394 4.8 12.4 1.0
CG1 E:ILE110 4.8 29.8 1.0
C27 E:PB8394 4.8 15.0 1.0
C32 E:PB8394 4.8 12.3 1.0

Fluorine binding site 8 out of 8 in 3skg

Go back to Fluorine Binding Sites List in 3skg
Fluorine binding site 8 out of 8 in the Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1-Pyrrolidinyl)-N- ((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-(1,2,3,4-Tetrahydro-3- Isoquinolinyl)Ethyl)-4-Phenylbutanamide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3R)-3-Acetamido-3-Isobutyl-2-Oxo-1-Pyrrolidinyl)-N- ((1S,2R)-1-(3,5-Difluorobenzyl)-2-Hydroxy-2-(1,2,3,4-Tetrahydro-3- Isoquinolinyl)Ethyl)-4-Phenylbutanamide within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F394

b:12.4
occ:1.00
 F48 E:PB8394 0.0 12.4 1.0
C18 E:PB8394 1.3 7.0 1.0
C11 E:PB8394 2.2 7.9 1.0
C12 E:PB8394 2.3 7.9 1.0
O E:GLN73 2.9 38.5 1.0
C16 E:PB8394 3.5 12.7 1.0
C17 E:PB8394 3.6 10.8 1.0
O E:LYS107 3.7 34.2 1.0
CD1 E:PHE108 3.7 16.4 1.0
CB E:TYR71 3.8 25.7 1.0
CA E:GLY74 3.8 34.4 1.0
CD2 E:TYR71 3.9 26.1 1.0
CA E:PHE108 3.9 24.8 1.0
C E:GLN73 3.9 37.6 1.0
C10 E:PB8394 3.9 14.5 1.0
C E:GLY74 4.0 33.2 1.0
CG E:TYR71 4.0 26.7 1.0
O E:GLY74 4.1 31.4 1.0
N E:GLY74 4.4 35.8 1.0
CE1 E:PHE108 4.4 16.3 1.0
C E:LYS107 4.5 32.8 1.0
C25 E:PB8394 4.5 12.9 1.0
CG E:PHE108 4.5 18.1 1.0
CB E:PHE108 4.5 22.2 1.0
N E:PHE108 4.6 29.5 1.0
N E:LYS75 4.6 33.0 1.0
O E:PHE108 4.6 26.9 1.0
CE2 E:TYR71 4.8 24.4 1.0
F47 E:PB8394 4.8 6.3 1.0
C E:PHE108 4.8 25.1 1.0
C32 E:PB8394 4.8 12.3 1.0
CD1 E:TYR71 4.9 28.8 1.0

Reference:

L.A.Thompson, J.Shi, C.P.Decicco, A.J.Tebben, R.E.Olson, K.M.Boy, J.M.Guernon, A.C.Good, A.Liauw, C.Zheng, R.A.Copeland, A.P.Combs, G.L.Trainor, D.M.Camac, J.K.Muckelbauer, K.A.Lentz, J.E.Grace, C.R.Burton, J.H.Toyn, D.M.Barten, J.Marcinkeviciene, J.E.Meredith, C.F.Albright, J.E.Macor. Synthesis and in Vivo Evaluation of Cyclic Diaminopropane Bace-1 Inhibitors. Bioorg.Med.Chem.Lett. V. 21 6909 2011.
ISSN: ISSN 0960-894X
PubMed: 21974952
DOI: 10.1016/J.BMCL.2011.06.116
Page generated: Wed Jul 31 22:33:26 2024

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Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
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