SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '8E6'


List of Similar Pattern of Amino Acids


Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD Dali
Z-score
Seq.
Identity (%)
View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DMA_A_NCAA700_0
(EXOTOXIN A)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
5 / 7 HIS A 201
GLY A 202
TYR A 235
TYR A 246
GLU A 327
8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-4.1A)
8E6  A 401 (-3.4A)
8E6  A 401 (-3.9A)
0.46A 1dmaA-5xstA:
6.0
1dmaA-5xstA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DMA_B_NCAB700_0
(EXOTOXIN A)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
6 / 6 HIS A 201
GLY A 202
TYR A 235
ALA A 237
TYR A 246
GLU A 327
8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-4.1A)
8E6  A 401 (-3.5A)
8E6  A 401 (-3.4A)
8E6  A 401 (-3.9A)
0.38A 1dmaB-5xstA:
6.1
1dmaB-5xstA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS8_A_BRLA503_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
5 / 12 GLY A 210
ILE A 234
HIS A 201
LEU A 259
LEU A 338
None
None
8E6  A 401 (-3.5A)
None
None
1.20A 3cs8A-5xstA:
undetectable
3cs8A-5xstA:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9H_A_NCAA1163_0
(TANKYRASE-2)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
6 / 8 HIS A 201
GLY A 202
ALA A 237
LYS A 242
SER A 243
GLU A 327
8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-3.5A)
8E6  A 401 (-4.3A)
8E6  A 401 (-2.6A)
8E6  A 401 (-3.9A)
1.33A 3u9hA-5xstA:
19.1
3u9hA-5xstA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9H_A_NCAA1163_0
(TANKYRASE-2)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
6 / 8 HIS A 201
GLY A 202
ALA A 237
SER A 243
TYR A 246
GLU A 327
8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-3.5A)
8E6  A 401 (-2.6A)
8E6  A 401 (-3.4A)
8E6  A 401 (-3.9A)
0.83A 3u9hA-5xstA:
19.1
3u9hA-5xstA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9H_A_NCAA1163_0
(TANKYRASE-2)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
6 / 8 HIS A 201
GLY A 202
TYR A 235
ALA A 237
LYS A 242
SER A 243
8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-4.1A)
8E6  A 401 (-3.5A)
8E6  A 401 (-4.3A)
8E6  A 401 (-2.6A)
0.93A 3u9hA-5xstA:
19.1
3u9hA-5xstA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9H_A_NCAA1163_0
(TANKYRASE-2)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
6 / 8 HIS A 201
GLY A 202
TYR A 235
ALA A 237
SER A 243
TYR A 246
8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-4.1A)
8E6  A 401 (-3.5A)
8E6  A 401 (-2.6A)
8E6  A 401 (-3.4A)
0.37A 3u9hA-5xstA:
19.1
3u9hA-5xstA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9H_B_NCAB1164_0
(TANKYRASE-2)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
6 / 8 HIS A 201
GLY A 202
ALA A 237
LYS A 242
SER A 243
GLU A 327
8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-3.5A)
8E6  A 401 (-4.3A)
8E6  A 401 (-2.6A)
8E6  A 401 (-3.9A)
1.33A 3u9hB-5xstA:
19.1
3u9hB-5xstA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9H_B_NCAB1164_0
(TANKYRASE-2)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
6 / 8 HIS A 201
GLY A 202
ALA A 237
SER A 243
TYR A 246
GLU A 327
8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-3.5A)
8E6  A 401 (-2.6A)
8E6  A 401 (-3.4A)
8E6  A 401 (-3.9A)
0.80A 3u9hB-5xstA:
19.1
3u9hB-5xstA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9H_B_NCAB1164_0
(TANKYRASE-2)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
6 / 8 HIS A 201
GLY A 202
TYR A 235
ALA A 237
LYS A 242
SER A 243
8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-4.1A)
8E6  A 401 (-3.5A)
8E6  A 401 (-4.3A)
8E6  A 401 (-2.6A)
0.97A 3u9hB-5xstA:
19.1
3u9hB-5xstA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9H_B_NCAB1164_0
(TANKYRASE-2)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
6 / 8 HIS A 201
GLY A 202
TYR A 235
ALA A 237
SER A 243
TYR A 246
8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-4.1A)
8E6  A 401 (-3.5A)
8E6  A 401 (-2.6A)
8E6  A 401 (-3.4A)
0.42A 3u9hB-5xstA:
19.1
3u9hB-5xstA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AE1_A_NCAA1536_0
(DIPHTHERIA TOXIN)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
5 / 6 HIS A 201
GLY A 202
TYR A 235
TYR A 246
GLU A 327
8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-4.1A)
8E6  A 401 (-3.4A)
8E6  A 401 (-3.9A)
0.57A 4ae1A-5xstA:
6.6
4ae1A-5xstA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AE1_B_NCAB1536_0
(DIPHTHERIA TOXIN)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
5 / 5 HIS A 201
GLY A 202
TYR A 235
TYR A 246
GLU A 327
8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-4.1A)
8E6  A 401 (-3.4A)
8E6  A 401 (-3.9A)
0.58A 4ae1B-5xstA:
6.1
4ae1B-5xstA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BJC_A_RPBA2162_1
(TANKYRASE-2)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
6 / 8 HIS A 201
GLY A 202
ALA A 237
LYS A 242
SER A 243
GLU A 327
8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-3.5A)
8E6  A 401 (-4.3A)
8E6  A 401 (-2.6A)
8E6  A 401 (-3.9A)
1.32A 4bjcA-5xstA:
18.4
4bjcA-5xstA:
15.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BJC_A_RPBA2162_1
(TANKYRASE-2)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
6 / 8 HIS A 201
GLY A 202
ALA A 237
SER A 243
TYR A 246
GLU A 327
8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-3.5A)
8E6  A 401 (-2.6A)
8E6  A 401 (-3.4A)
8E6  A 401 (-3.9A)
0.77A 4bjcA-5xstA:
18.4
4bjcA-5xstA:
15.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BJC_A_RPBA2162_1
(TANKYRASE-2)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
6 / 8 HIS A 201
GLY A 202
TYR A 235
ALA A 237
LYS A 242
SER A 243
8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-4.1A)
8E6  A 401 (-3.5A)
8E6  A 401 (-4.3A)
8E6  A 401 (-2.6A)
0.94A 4bjcA-5xstA:
18.4
4bjcA-5xstA:
15.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BJC_A_RPBA2162_1
(TANKYRASE-2)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
6 / 8 HIS A 201
GLY A 202
TYR A 235
ALA A 237
SER A 243
TYR A 246
8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-4.1A)
8E6  A 401 (-3.5A)
8E6  A 401 (-2.6A)
8E6  A 401 (-3.4A)
0.35A 4bjcA-5xstA:
18.4
4bjcA-5xstA:
15.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HYF_A_NCAA1201_0
(TANKYRASE-2)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
7 / 7 HIS A 201
GLY A 202
TYR A 235
ALA A 237
SER A 243
TYR A 246
GLU A 327
8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-4.1A)
8E6  A 401 (-3.5A)
8E6  A 401 (-2.6A)
8E6  A 401 (-3.4A)
8E6  A 401 (-3.9A)
0.58A 4hyfA-5xstA:
20.1
4hyfA-5xstA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HYF_B_NCAB1201_0
(TANKYRASE-2)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
7 / 8 HIS A 201
GLY A 202
TYR A 235
ALA A 237
LYS A 242
SER A 243
GLU A 327
8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-4.1A)
8E6  A 401 (-3.5A)
8E6  A 401 (-4.3A)
8E6  A 401 (-2.6A)
8E6  A 401 (-3.9A)
0.88A 4hyfB-5xstA:
20.3
4hyfB-5xstA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HYF_B_NCAB1201_0
(TANKYRASE-2)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
7 / 8 HIS A 201
GLY A 202
TYR A 235
ALA A 237
SER A 243
TYR A 246
GLU A 327
8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-4.1A)
8E6  A 401 (-3.5A)
8E6  A 401 (-2.6A)
8E6  A 401 (-3.4A)
8E6  A 401 (-3.9A)
0.59A 4hyfB-5xstA:
20.3
4hyfB-5xstA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HYF_C_NCAC1201_0
(TANKYRASE-2)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
8 / 8 HIS A 201
GLY A 202
TYR A 235
ALA A 237
LYS A 242
SER A 243
TYR A 246
GLU A 327
8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-4.1A)
8E6  A 401 (-3.5A)
8E6  A 401 (-4.3A)
8E6  A 401 (-2.6A)
8E6  A 401 (-3.4A)
8E6  A 401 (-3.9A)
0.56A 4hyfC-5xstA:
20.3
4hyfC-5xstA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RV6_A_RPBA1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
10 / 11 GLN A  98
GLU A 102
HIS A 201
GLY A 202
TYR A 228
TYR A 235
ALA A 237
LYS A 242
TYR A 246
GLU A 327
8E6  A 401 ( 4.7A)
8E6  A 401 (-4.2A)
8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-3.7A)
8E6  A 401 (-4.1A)
8E6  A 401 (-3.5A)
8E6  A 401 (-4.3A)
8E6  A 401 (-3.4A)
8E6  A 401 (-3.9A)
0.74A 4rv6A-5xstA:
52.5
4rv6A-5xstA:
98.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RV6_A_RPBA1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
10 / 11 GLN A  98
GLU A 102
HIS A 201
GLY A 202
TYR A 235
ALA A 237
LYS A 242
SER A 243
TYR A 246
GLU A 327
8E6  A 401 ( 4.7A)
8E6  A 401 (-4.2A)
8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-4.1A)
8E6  A 401 (-3.5A)
8E6  A 401 (-4.3A)
8E6  A 401 (-2.6A)
8E6  A 401 (-3.4A)
8E6  A 401 (-3.9A)
0.62A 4rv6A-5xstA:
52.5
4rv6A-5xstA:
98.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RV6_B_RPBB1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
11 / 11 GLN A  98
GLU A 102
HIS A 201
GLY A 202
TYR A 228
TYR A 235
ALA A 237
LYS A 242
SER A 243
TYR A 246
GLU A 327
8E6  A 401 ( 4.7A)
8E6  A 401 (-4.2A)
8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-3.7A)
8E6  A 401 (-4.1A)
8E6  A 401 (-3.5A)
8E6  A 401 (-4.3A)
8E6  A 401 (-2.6A)
8E6  A 401 (-3.4A)
8E6  A 401 (-3.9A)
0.72A 4rv6B-5xstA:
52.7
4rv6B-5xstA:
98.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HA9_B_TP0B406_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
8 / 9 GLU A 102
ASP A 109
HIS A 201
SER A 203
ASN A 207
ILE A 211
SER A 243
TYR A 246
8E6  A 401 (-4.2A)
None
8E6  A 401 (-3.5A)
None
None
None
8E6  A 401 (-2.6A)
8E6  A 401 (-3.4A)
0.80A 5ha9B-5xstA:
49.2
5ha9B-5xstA:
98.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HA9_B_TP0B406_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo
sapiens)
7 / 9 HIS A 201
SER A 203
ASN A 207
ILE A 211
TYR A 235
SER A 243
TYR A 246
8E6  A 401 (-3.5A)
None
None
None
8E6  A 401 (-4.1A)
8E6  A 401 (-2.6A)
8E6  A 401 (-3.4A)
0.51A 5ha9B-5xstA:
49.2
5ha9B-5xstA:
98.75