SIMILAR PATTERNS OF AMINO ACIDS FOR 3QLH_A_T27A555_1

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. 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.
1m0u GST2 GENE PRODUCT

(Drosophila
melanogaster) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 PRO A  98
LEU A  52
TYR A  54
PRO A 245
TYR A  75
 GSH  A 500 ( 4.5A)
None
GSH  A 500 (-4.7A)
None
None
 1.35A 3qlhA-1m0uA:
0.0		 3qlhA-1m0uA:
19.60
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.
1pd2 HEMATOPOIETIC
PROSTAGLANDIN D
SYNTHASE

(Rattus
norvegicus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 PRO 1  52
LEU 1   6
TYR 1   8
PRO 1 195
TYR 1  29
 GSH  1 301 ( 4.5A)
None
GSH  1 301 (-4.8A)
None
None
 1.40A 3qlhA-1pd21:
0.9		 3qlhA-1pd21:
17.15
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.
1tw9 GLUTATHIONE
S-TRANSFERASE 2

(Heligmosomoides
polygyrus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 PRO A  52
LEU A   6
TYR A   8
PRO A 202
TYR A  29
 None
 1.47A 3qlhA-1tw9A:
0.7		 3qlhA-1tw9A:
17.07
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.
1v40 GLUTATHIONE-REQUIRIN
G PROSTAGLANDIN D
SYNTHASE

(Homo sapiens) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 PRO A  52
LEU A   6
TYR A   8
PRO A 195
TYR A  29
 GSH  A3200 ( 4.5A)
None
None
None
None
 1.36A 3qlhA-1v40A:
0.0		 3qlhA-1v40A:
16.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		5 LEU A 100
LYS A 103
TYR A 188
TRP A 229
TYR A 318
 PC0  A 999 ( 3.9A)
None
PC0  A 999 (-4.1A)
PC0  A 999 ( 4.2A)
PC0  A 999 (-4.3A)
 1.33A 3qlhA-2hnzA:
35.9		 3qlhA-2hnzA:
98.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		8 LEU A 100
LYS A 103
VAL A 179
TYR A 181
TYR A 188
PRO A 225
PRO A 236
TYR A 318
 PC0  A 999 ( 3.9A)
None
PC0  A 999 (-4.4A)
PC0  A 999 (-3.9A)
PC0  A 999 (-4.1A)
None
PC0  A 999 ( 4.3A)
PC0  A 999 (-4.3A)
 0.92A 3qlhA-2hnzA:
35.9		 3qlhA-2hnzA:
98.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		8 LEU A 100
LYS A 103
VAL A 179
TYR A 188
PRO A 225
PHE A 227
PRO A 236
TYR A 318
 PC0  A 999 ( 3.9A)
None
PC0  A 999 (-4.4A)
PC0  A 999 (-4.1A)
None
PC0  A 999 (-4.7A)
PC0  A 999 ( 4.3A)
PC0  A 999 (-4.3A)
 1.01A 3qlhA-2hnzA:
35.9		 3qlhA-2hnzA:
98.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		9 PRO A  95
LEU A 100
LYS A 103
VAL A 179
PRO A 225
PHE A 227
TRP A 229
PRO A 236
TYR A 318
 PC0  A 999 ( 4.9A)
PC0  A 999 ( 3.9A)
None
PC0  A 999 (-4.4A)
None
PC0  A 999 (-4.7A)
PC0  A 999 ( 4.2A)
PC0  A 999 ( 4.3A)
PC0  A 999 (-4.3A)
 0.90A 3qlhA-2hnzA:
35.9		 3qlhA-2hnzA:
98.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		9 PRO A  95
LEU A 100
LYS A 103
VAL A 179
TYR A 181
PRO A 225
TRP A 229
PRO A 236
TYR A 318
 PC0  A 999 ( 4.9A)
PC0  A 999 ( 3.9A)
None
PC0  A 999 (-4.4A)
PC0  A 999 (-3.9A)
None
PC0  A 999 ( 4.2A)
PC0  A 999 ( 4.3A)
PC0  A 999 (-4.3A)
 0.89A 3qlhA-2hnzA:
35.9		 3qlhA-2hnzA:
98.50
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.
2on5 NA GLUTATHIONE
S-TRANSFERASE 2

(Necator
americanus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 PRO A  52
LEU A   6
TYR A   8
PRO A 202
TYR A  29
 GSH  A 999 ( 4.6A)
None
GSH  A 999 (-4.9A)
None
EDO  A 427 (-3.6A)
 1.40A 3qlhA-2on5A:
1.3		 3qlhA-2on5A:
16.97
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.
2ws2 GLUTATHIONE
S-TRANSFERASE

(Haemonchus
contortus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 PRO A  52
LEU A   6
TYR A   8
PRO A 200
TYR A  29
 None
 1.41A 3qlhA-2ws2A:
1.4		 3qlhA-2ws2A:
18.82
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.
2y3s TAML

(Streptomyces
sp. 307-9) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 LEU A 102
VAL A  85
TYR A 198
PRO A 118
TYR A 106
 None
 1.44A 3qlhA-2y3sA:
0.0		 3qlhA-2y3sA:
21.96
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.
2ze4 PHOSPHOLIPASE D

(Streptomyces
antibioticus) 		PF13091
(PLDc_2) 		5 PRO A 124
LEU A 164
VAL A 274
PRO A 462
PRO A 347
 None
 1.41A 3qlhA-2ze4A:
0.5		 3qlhA-2ze4A:
20.68
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.
3wo0 ALANINE-ANTICAPSIN
LIGASE BACD

(Bacillus
subtilis) 		PF13535
(ATP-grasp_4) 		5 LEU A 182
VAL A 188
TYR A 207
PRO A 222
TYR A 181
 None
ADP  A 501 (-4.8A)
None
None
None
 1.37A 3qlhA-3wo0A:
1.4		 3qlhA-3wo0A:
22.63