Binding Site Information of Target

Content Navigation (  All   None )                                      
Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T87024 Target Info
Target Name Amyloid beta A4 protein (APP)
Synonyms Protease nexin-II; PreA4; PN-II; Cerebral vascular amyloid peptide; CVAP; Amyloid-beta precursor protein; Amyloid-beta A4 protein; Alzheimer disease amyloid protein; APPI; APP; AD1; ABPP; A4
Target Type Successful Target
Gene Name APP
Biochemical Class Amyloid beta-protein peptide
UniProt ID
A4_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: Phosphonate Ligand Info
Structure Description S8 phosphorylated beta amyloid 40 fibrils PDB:6OC9
Method Solid-state NMR Resolution N.A. Mutation No [1]
PDB Sequence
DAEFRHDSGY
10
EVHHQKLVFF
20
AEDVGSNKGA
30
IIGLMVGGVV
40
Residue
Distance (Å)
ARG5
2.684
HIS6
4.130
ASP7
3.127
SER8
2.002
Residue
Distance (Å)
GLY9
3.817
VAL24
3.883
GLY25
4.336
Ligand Name: (R)-butane-1,3-diol Ligand Info
Structure Description Structure of the Heparin-induced E1-Dimer of the Amyloid Precursor Protein (APP) PDB:3KTM
Method X-ray diffraction Resolution 2.70 Å Mutation No [2]
PDB Sequence
LLAEPQIAMF
37
CGRLNMHMNV
47
QNGKWDSDPS
57
GTKTCIDTKE
67
GILQYCQEVY
77

PELQITNVVE
87
ANQPVTIQNW
97
CKRGRKQCKT
107
HPHFVIPYRC
117
LVGEFVSDAL
127

LVPDKCKFLH
137
QERMDVCETH
147
LHWHTVAKET
157
CSEKSTNLHD
167
YGMLLPCGID
177

KFRGVEFVCC
187
PLAIEGRKLA
197
AALEH
Residue
Distance (Å)
THR83
3.373
ASN84
3.374
PRO173
3.245
Residue
Distance (Å)
CYS174
3.359
GLY175
3.621
ILE176
3.441
Ligand Name: (2s,3s)-3-(3,5-Dihydroxyphenyl)-2-(4-Hydroxyphenyl)-4-[(E)-2-(4-Hydroxyphenyl)ethenyl]-2,3-Dihydro-1-Benzofuran-6-Yl Beta-D-Glucopyranoside Ligand Info
Structure Description 3D NMR structure of a complex between the amyloid beta peptide (1-40) and the polyphenol epsilon-viniferin glucoside PDB:2M9R
Method Solution NMR Resolution N.A. Mutation No [3]
PDB Sequence
DAEFRHDSGY
10
EVHHQKLVFF
20
AEDVGSNKGA
30
IIGLMVGGVV
40
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .23Y or .23Y2 or .23Y3 or :323Y;style chemicals stick;color identity;select .A:10 or .A:12 or .A:15 or .A:16 or .A:17 or .A:19 or .A:26 or .A:27 or .A:28 or .A:29 or .A:31; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
TYR10
2.297
VAL12
2.309
GLN15
2.090
LYS16
4.167
LEU17
3.889
PHE19
2.617
Residue
Distance (Å)
SER26
3.430
ASN27
3.637
LYS28
2.155
GLY29
2.487
ILE31
4.905
Click to View More Binding Site Information of This Target and Ligand Pair
References  Top
REF 1 Molecular structure of an N-terminal phosphorylated beta-amyloid fibril. Proc Natl Acad Sci U S A. 2019 Jun 4;116(23):11253-11258.
REF 2 Structure and biochemical analysis of the heparin-induced E1 dimer of the amyloid precursor protein. Proc Natl Acad Sci U S A. 2010 Mar 23;107(12):5381-6.
REF 3 3D NMR structure of a complex between the amyloid beta peptide (1-40) and the polyphenol Epsilon-viniferin glucoside: implications in Alzheimer's disease. Biochim Biophys Acta. 2013 Nov;1830(11):5068-74.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.