Iodine »
PDB 3ru1-3unh »
3skf »
Iodine in PDB 3skf: Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3S)-3-(Acetylamino)-3-(Butan-2-Yl)-2-Oxopyrrolidin-1- Yl)-N-((2S,3R)-3-Hydroxy-4-((3-Methoxybenzyl)Amino)-1-Phenylbutan-2- Yl)-4-Phenylbutanamide
Enzymatic activity of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3S)-3-(Acetylamino)-3-(Butan-2-Yl)-2-Oxopyrrolidin-1- Yl)-N-((2S,3R)-3-Hydroxy-4-((3-Methoxybenzyl)Amino)-1-Phenylbutan-2- Yl)-4-Phenylbutanamide
All present enzymatic activity of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3S)-3-(Acetylamino)-3-(Butan-2-Yl)-2-Oxopyrrolidin-1- Yl)-N-((2S,3R)-3-Hydroxy-4-((3-Methoxybenzyl)Amino)-1-Phenylbutan-2- Yl)-4-Phenylbutanamide:
3.4.23.46;
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-((3S)-3-(Acetylamino)-3-(Butan-2-Yl)-2-Oxopyrrolidin-1- Yl)-N-((2S,3R)-3-Hydroxy-4-((3-Methoxybenzyl)Amino)-1-Phenylbutan-2- Yl)-4-Phenylbutanamide, PDB code: 3skf
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) | 34.06 / 3.00 |
| Space group | P 21 21 2 |
| Cell size a, b, c (Å), α, β, γ (°) | 90.288, 130.264, 85.871, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 25.2 / 31.3 |
Iodine Binding Sites:
The binding sites of Iodine atom in the Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3S)-3-(Acetylamino)-3-(Butan-2-Yl)-2-Oxopyrrolidin-1- Yl)-N-((2S,3R)-3-Hydroxy-4-((3-Methoxybenzyl)Amino)-1-Phenylbutan-2- Yl)-4-Phenylbutanamide
(pdb code 3skf). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3S)-3-(Acetylamino)-3-(Butan-2-Yl)-2-Oxopyrrolidin-1- Yl)-N-((2S,3R)-3-Hydroxy-4-((3-Methoxybenzyl)Amino)-1-Phenylbutan-2- Yl)-4-Phenylbutanamide, PDB code: 3skf:
Jump to Iodine binding site number: 1; 2;
In total 2 binding sites of Iodine where determined in the Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3S)-3-(Acetylamino)-3-(Butan-2-Yl)-2-Oxopyrrolidin-1- Yl)-N-((2S,3R)-3-Hydroxy-4-((3-Methoxybenzyl)Amino)-1-Phenylbutan-2- Yl)-4-Phenylbutanamide, PDB code: 3skf:
Jump to Iodine binding site number: 1; 2;
Iodine binding site 1 out of 2 in 3skf
Go back to
Iodine Binding Sites List in 3skf
Iodine binding site 1 out
of 2 in the Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3S)-3-(Acetylamino)-3-(Butan-2-Yl)-2-Oxopyrrolidin-1- Yl)-N-((2S,3R)-3-Hydroxy-4-((3-Methoxybenzyl)Amino)-1-Phenylbutan-2- Yl)-4-Phenylbutanamide
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Iodine with other atoms in the I binding
site number 1 of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3S)-3-(Acetylamino)-3-(Butan-2-Yl)-2-Oxopyrrolidin-1- Yl)-N-((2S,3R)-3-Hydroxy-4-((3-Methoxybenzyl)Amino)-1-Phenylbutan-2- Yl)-4-Phenylbutanamide within 5.0Å range:
|
Iodine binding site 2 out of 2 in 3skf
Go back to
Iodine Binding Sites List in 3skf
Iodine binding site 2 out
of 2 in the Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3S)-3-(Acetylamino)-3-(Butan-2-Yl)-2-Oxopyrrolidin-1- Yl)-N-((2S,3R)-3-Hydroxy-4-((3-Methoxybenzyl)Amino)-1-Phenylbutan-2- Yl)-4-Phenylbutanamide
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Iodine with other atoms in the I binding
site number 2 of Crystal Structure of Beta-Site App-Cleaving Enzyme 1 (Bace-Wt) Complex with (2S)-2-((3S)-3-(Acetylamino)-3-(Butan-2-Yl)-2-Oxopyrrolidin-1- Yl)-N-((2S,3R)-3-Hydroxy-4-((3-Methoxybenzyl)Amino)-1-Phenylbutan-2- Yl)-4-Phenylbutanamide within 5.0Å range:
|
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: Sun Aug 11 16:44:08 2024
ISSN: ISSN 0960-894X
PubMed: 21974952
DOI: 10.1016/J.BMCL.2011.06.116
Last articles
Zn in 9JPJZn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
