SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3AB'


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)		 3hkv POLY [ADP-RIBOSE]
POLYMERASE 10
(Homo
sapiens) 		5 / 7 HIS A 887
GLY A 888
TYR A 919
LEU A 926
TYR A 932
 3AB  A1025 (-3.8A)
3AB  A1025 (-3.5A)
3AB  A1025 (-4.4A)
3AB  A1025 (-4.4A)
3AB  A1025 (-3.7A)
 0.33A 1dmaA-3hkvA:
5.5		 1dmaA-3hkvA:
25.83
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)		 4f0d POLY [ADP-RIBOSE]
POLYMERASE 16
(Homo
sapiens) 		6 / 7 HIS A 152
GLY A 153
TYR A 182
LEU A 189
ALA A 190
TYR A 193
 3AB  A 301 (-4.0A)
3AB  A 301 (-3.4A)
3AB  A 301 (-4.3A)
3AB  A 301 ( 4.7A)
3AB  A 301 (-3.9A)
3AB  A 301 (-3.8A)
 0.37A 1dmaA-4f0dA:
4.7		 1dmaA-4f0dA:
24.16
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)		 3hkv POLY [ADP-RIBOSE]
POLYMERASE 10
(Homo
sapiens) 		5 / 6 HIS A 887
GLY A 888
TYR A 919
ALA A 921
TYR A 932
 3AB  A1025 (-3.8A)
3AB  A1025 (-3.5A)
3AB  A1025 (-4.4A)
3AB  A1025 ( 3.9A)
3AB  A1025 (-3.7A)
 0.52A 1dmaB-3hkvA:
5.3		 1dmaB-3hkvA:
25.83
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)		 4f0d POLY [ADP-RIBOSE]
POLYMERASE 16
(Homo
sapiens) 		4 / 6 HIS A 152
GLY A 153
TYR A 182
TYR A 193
 3AB  A 301 (-4.0A)
3AB  A 301 (-3.4A)
3AB  A 301 (-4.3A)
3AB  A 301 (-3.8A)
 0.47A 1dmaB-4f0dA:
4.8		 1dmaB-4f0dA:
24.16
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.
1HWI_C_115C4_2
(HMG-COA REDUCTASE)		 4f0d POLY [ADP-RIBOSE]
POLYMERASE 16
(Homo
sapiens) 		4 / 8 CYH A 215
LEU A 187
ALA A 190
LEU A 191
 None
None
3AB  A 301 (-3.9A)
None
 0.74A 1hwiD-4f0dA:
undetectable		 1hwiD-4f0dA:
20.42
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)		 3hkv POLY [ADP-RIBOSE]
POLYMERASE 10
(Homo
sapiens) 		6 / 8 HIS A 887
GLY A 888
TYR A 919
ALA A 921
SER A 927
TYR A 932
 3AB  A1025 (-3.8A)
3AB  A1025 (-3.5A)
3AB  A1025 (-4.4A)
3AB  A1025 ( 3.9A)
3AB  A1025 (-2.8A)
3AB  A1025 (-3.7A)
 0.42A 3u9hA-3hkvA:
20.0		 3u9hA-3hkvA:
24.31
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)		 4f0d POLY [ADP-RIBOSE]
POLYMERASE 16
(Homo
sapiens) 		4 / 8 HIS A 152
GLY A 153
TYR A 182
TYR A 193
 3AB  A 301 (-4.0A)
3AB  A 301 (-3.4A)
3AB  A 301 (-4.3A)
3AB  A 301 (-3.8A)
 0.42A 3u9hA-4f0dA:
10.5		 3u9hA-4f0dA:
23.33
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)		 3hkv POLY [ADP-RIBOSE]
POLYMERASE 10
(Homo
sapiens) 		6 / 8 HIS A 887
GLY A 888
TYR A 919
ALA A 921
SER A 927
TYR A 932
 3AB  A1025 (-3.8A)
3AB  A1025 (-3.5A)
3AB  A1025 (-4.4A)
3AB  A1025 ( 3.9A)
3AB  A1025 (-2.8A)
3AB  A1025 (-3.7A)
 0.43A 3u9hB-3hkvA:
19.9		 3u9hB-3hkvA:
24.31
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)		 4f0d POLY [ADP-RIBOSE]
POLYMERASE 16
(Homo
sapiens) 		4 / 8 HIS A 152
GLY A 153
TYR A 182
TYR A 193
 3AB  A 301 (-4.0A)
3AB  A 301 (-3.4A)
3AB  A 301 (-4.3A)
3AB  A 301 (-3.8A)
 0.46A 3u9hB-4f0dA:
10.4		 3u9hB-4f0dA:
23.33
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)		 3hkv POLY [ADP-RIBOSE]
POLYMERASE 10
(Homo
sapiens) 		4 / 6 HIS A 887
GLY A 888
TYR A 919
TYR A 932
 3AB  A1025 (-3.8A)
3AB  A1025 (-3.5A)
3AB  A1025 (-4.4A)
3AB  A1025 (-3.7A)
 0.29A 4ae1A-3hkvA:
6.2		 4ae1A-3hkvA:
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)		 4f0d POLY [ADP-RIBOSE]
POLYMERASE 16
(Homo
sapiens) 		5 / 6 HIS A 152
GLY A 153
TYR A 182
ALA A 190
TYR A 193
 3AB  A 301 (-4.0A)
3AB  A 301 (-3.4A)
3AB  A 301 (-4.3A)
3AB  A 301 (-3.9A)
3AB  A 301 (-3.8A)
 0.43A 4ae1A-4f0dA:
5.0		 4ae1A-4f0dA:
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)		 3hkv POLY [ADP-RIBOSE]
POLYMERASE 10
(Homo
sapiens) 		4 / 5 HIS A 887
GLY A 888
TYR A 919
TYR A 932
 3AB  A1025 (-3.8A)
3AB  A1025 (-3.5A)
3AB  A1025 (-4.4A)
3AB  A1025 (-3.7A)
 0.30A 4ae1B-3hkvA:
5.8		 4ae1B-3hkvA:
18.18
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)		 4f0d POLY [ADP-RIBOSE]
POLYMERASE 16
(Homo
sapiens) 		4 / 5 HIS A 152
GLY A 153
TYR A 182
TYR A 193
 3AB  A 301 (-4.0A)
3AB  A 301 (-3.4A)
3AB  A 301 (-4.3A)
3AB  A 301 (-3.8A)
 0.34A 4ae1B-4f0dA:
4.6		 4ae1B-4f0dA:
19.39
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)		 3hkv POLY [ADP-RIBOSE]
POLYMERASE 10
(Homo
sapiens) 		6 / 8 HIS A 887
GLY A 888
TYR A 919
ALA A 921
SER A 927
TYR A 932
 3AB  A1025 (-3.8A)
3AB  A1025 (-3.5A)
3AB  A1025 (-4.4A)
3AB  A1025 ( 3.9A)
3AB  A1025 (-2.8A)
3AB  A1025 (-3.7A)
 0.30A 4bjcA-3hkvA:
19.0		 4bjcA-3hkvA:
24.31
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)		 4f0d POLY [ADP-RIBOSE]
POLYMERASE 16
(Homo
sapiens) 		4 / 8 HIS A 152
GLY A 153
TYR A 182
TYR A 193
 3AB  A 301 (-4.0A)
3AB  A 301 (-3.4A)
3AB  A 301 (-4.3A)
3AB  A 301 (-3.8A)
 0.33A 4bjcA-4f0dA:
10.7		 4bjcA-4f0dA:
23.33
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)		 3hkv POLY [ADP-RIBOSE]
POLYMERASE 10
(Homo
sapiens) 		6 / 7 HIS A 887
GLY A 888
TYR A 919
ALA A 921
SER A 927
TYR A 932
 3AB  A1025 (-3.8A)
3AB  A1025 (-3.5A)
3AB  A1025 (-4.4A)
3AB  A1025 ( 3.9A)
3AB  A1025 (-2.8A)
3AB  A1025 (-3.7A)
 0.48A 4hyfA-3hkvA:
19.0		 4hyfA-3hkvA:
24.31
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)		 4f0d POLY [ADP-RIBOSE]
POLYMERASE 16
(Homo
sapiens) 		4 / 7 HIS A 152
GLY A 153
TYR A 182
TYR A 193
 3AB  A 301 (-4.0A)
3AB  A 301 (-3.4A)
3AB  A 301 (-4.3A)
3AB  A 301 (-3.8A)
 0.60A 4hyfA-4f0dA:
10.2		 4hyfA-4f0dA:
23.33
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)		 3hkv POLY [ADP-RIBOSE]
POLYMERASE 10
(Homo
sapiens) 		6 / 8 HIS A 887
GLY A 888
TYR A 919
ALA A 921
SER A 927
TYR A 932
 3AB  A1025 (-3.8A)
3AB  A1025 (-3.5A)
3AB  A1025 (-4.4A)
3AB  A1025 ( 3.9A)
3AB  A1025 (-2.8A)
3AB  A1025 (-3.7A)
 0.48A 4hyfB-3hkvA:
19.0		 4hyfB-3hkvA:
24.31
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)		 4f0d POLY [ADP-RIBOSE]
POLYMERASE 16
(Homo
sapiens) 		4 / 8 HIS A 152
GLY A 153
TYR A 182
TYR A 193
 3AB  A 301 (-4.0A)
3AB  A 301 (-3.4A)
3AB  A 301 (-4.3A)
3AB  A 301 (-3.8A)
 0.57A 4hyfB-4f0dA:
10.3		 4hyfB-4f0dA:
23.33
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)		 3hkv POLY [ADP-RIBOSE]
POLYMERASE 10
(Homo
sapiens) 		6 / 8 HIS A 887
GLY A 888
TYR A 919
ALA A 921
SER A 927
TYR A 932
 3AB  A1025 (-3.8A)
3AB  A1025 (-3.5A)
3AB  A1025 (-4.4A)
3AB  A1025 ( 3.9A)
3AB  A1025 (-2.8A)
3AB  A1025 (-3.7A)
 0.46A 4hyfC-3hkvA:
18.9		 4hyfC-3hkvA:
24.31
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)		 4f0d POLY [ADP-RIBOSE]
POLYMERASE 16
(Homo
sapiens) 		4 / 8 HIS A 152
GLY A 153
TYR A 182
TYR A 193
 3AB  A 301 (-4.0A)
3AB  A 301 (-3.4A)
3AB  A 301 (-4.3A)
3AB  A 301 (-3.8A)
 0.54A 4hyfC-4f0dA:
10.4		 4hyfC-4f0dA:
23.33
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.
4RV6_A_RPBA1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		 3hkv POLY [ADP-RIBOSE]
POLYMERASE 10
(Homo
sapiens) 		6 / 11 HIS A 887
GLY A 888
TYR A 919
ALA A 921
SER A 927
TYR A 932
 3AB  A1025 (-3.8A)
3AB  A1025 (-3.5A)
3AB  A1025 (-4.4A)
3AB  A1025 ( 3.9A)
3AB  A1025 (-2.8A)
3AB  A1025 (-3.7A)
 0.48A 4rv6A-3hkvA:
18.2		 4rv6A-3hkvA:
19.50
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.
4RV6_B_RPBB1103_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		 3hkv POLY [ADP-RIBOSE]
POLYMERASE 10
(Homo
sapiens) 		6 / 11 HIS A 887
GLY A 888
TYR A 919
ALA A 921
SER A 927
TYR A 932
 3AB  A1025 (-3.8A)
3AB  A1025 (-3.5A)
3AB  A1025 (-4.4A)
3AB  A1025 ( 3.9A)
3AB  A1025 (-2.8A)
3AB  A1025 (-3.7A)
 0.48A 4rv6B-3hkvA:
18.1		 4rv6B-3hkvA:
19.50
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.
5HA9_B_TP0B406_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		 3hkv POLY [ADP-RIBOSE]
POLYMERASE 10
(Homo
sapiens) 		5 / 9 HIS A 887
ILE A 897
TYR A 919
SER A 927
TYR A 932
 3AB  A1025 (-3.8A)
None
3AB  A1025 (-4.4A)
3AB  A1025 (-2.8A)
3AB  A1025 (-3.7A)
 0.75A 5ha9B-3hkvA:
16.5		 5ha9B-3hkvA:
19.27
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.
5HA9_B_TP0B406_1
(POLY [ADP-RIBOSE]
POLYMERASE 1)		 4f0d POLY [ADP-RIBOSE]
POLYMERASE 16
(Homo
sapiens) 		6 / 9 HIS A 152
SER A 154
ASN A 158
ILE A 162
TYR A 182
TYR A 193
 3AB  A 301 (-4.0A)
None
None
None
3AB  A 301 (-4.3A)
3AB  A 301 (-3.8A)
 0.72A 5ha9B-4f0dA:
11.9		 5ha9B-4f0dA:
25.73