SIMILAR PATTERNS OF AMINO ACIDS FOR 2TRT_A_TACA222_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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanosarcina
barkeri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 ARG A1546
PRO A1545
VAL A1304
ILE A1316
SER A1310
 None
 1.39A 2trtA-1e6yA:
0.9		 2trtA-1e6yA:
18.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		8 HIS A  64
SER A  67
ASN A  82
PHE A  86
HIS A 100
GLN A 116
ILE A 134
SER A 138
 None
None
None
None
IMD  A   1 (-4.0A)
None
None
None
 0.72A 2trtA-1qpiA:
25.5		 2trtA-1qpiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		8 HIS A  64
SER A  67
ASN A  82
PHE A  86
VAL A 113
GLN A 116
ILE A 134
SER A 138
 None
 0.61A 2trtA-1qpiA:
25.5		 2trtA-1qpiA:
100.00
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.
1x25 HYPOTHETICAL UPF0076
PROTEIN ST0811

(Sulfurisphaera
tokodaii) 		PF01042
(Ribonuc_L-PSP) 		5 SER A  67
ARG A 102
PRO A 100
VAL A  71
ILE A  57
 None
 1.36A 2trtA-1x25A:
undetectable		 2trtA-1x25A:
19.91
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.
2vo8 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF12135
(Sialidase_penC) 		5 SER A 994
ASN A 996
VAL A1015
ILE A1022
SER A1026
 None
 1.48A 2trtA-2vo8A:
undetectable		 2trtA-2vo8A:
21.59
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.
3a2l HALOALKANE
DEHALOGENASE

(Bradyrhizobium
japonicum) 		PF00561
(Abhydrolase_1) 		5 HIS A  36
SER A  41
HIS A  81
ARG A 208
PRO A 209
 None
 1.38A 2trtA-3a2lA:
0.0		 2trtA-3a2lA:
24.18
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.
3ee4 PROBABLE
RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Mycobacterium
tuberculosis) 		PF00268
(Ribonuc_red_sm) 		5 SER A 278
ASN A 279
HIS A 164
VAL A 217
ILE A 288
 None
 1.48A 2trtA-3ee4A:
1.2		 2trtA-3ee4A:
23.78
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.
3j2j PROTEIN VP1
PROTEIN VP2
PROTEIN VP3

(Enterovirus B) 		PF00073
(Rhv) 		5 HIS C 207
PRO C 119
VAL A 187
ILE B  36
SER C 198
 None
 1.46A 2trtA-3j2jC:
undetectable		 2trtA-3j2jC:
22.00
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.
3upy OXIDOREDUCTASE

(Brucella
abortus) 		PF03447
(NAD_binding_3) 		5 SER A 273
PRO A 252
VAL A 271
ILE A 264
SER A 188
 None
 1.14A 2trtA-3upyA:
undetectable		 2trtA-3upyA:
20.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ac0 TETRACYCLINE
REPRESSOR PROTEIN
CLASS B FROM
TRANSPOSON TN1 0

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		6 HIS A  64
ASN A  82
PHE A  86
HIS A 100
ARG A 104
PRO A 105
 MIY  A1204 (-3.8A)
MIY  A1204 (-3.0A)
MIY  A1204 (-3.5A)
MG  A1205 ( 3.2A)
MIY  A1204 (-4.2A)
MIY  A1204 (-4.4A)
 0.87A 2trtA-4ac0A:
26.1		 2trtA-4ac0A:
61.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ac0 TETRACYCLINE
REPRESSOR PROTEIN
CLASS B FROM
TRANSPOSON TN1 0

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		6 HIS A  64
ASN A  82
PHE A  86
HIS A 100
PRO A 105
GLN A 116
 MIY  A1204 (-3.8A)
MIY  A1204 (-3.0A)
MIY  A1204 (-3.5A)
MG  A1205 ( 3.2A)
MIY  A1204 (-4.4A)
MIY  A1204 (-2.8A)
 0.41A 2trtA-4ac0A:
26.1		 2trtA-4ac0A:
61.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4d5c TETRACYCLINE
REPRESSOR PROTEIN
TETR

(Proteus
mirabilis) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		7 HIS A  64
ASN A  82
PHE A  86
HIS A 100
ARG A 104
PRO A 105
GLN A 116
 None
 0.75A 2trtA-4d5cA:
26.6		 2trtA-4d5cA:
60.29
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.
4iig BETA-GLUCOSIDASE 1

(Aspergillus
aculeatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 SER A  93
PHE A 106
HIS A 388
GLN A 140
ILE A 179
 None
 1.41A 2trtA-4iigA:
0.0		 2trtA-4iigA:
14.30
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.
4nx9 FLAGELLIN

(Pseudomonas
aeruginosa) 		PF00669
(Flagellin_N)
PF00700
(Flagellin_C) 		5 SER A 150
ARG A 323
VAL A 148
GLN A 147
ILE A 155
 None
 1.37A 2trtA-4nx9A:
undetectable		 2trtA-4nx9A:
21.55
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.
5fjj BETA-GLUCOSIDASE

(Aspergillus
oryzae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 SER A  94
PHE A 107
HIS A 389
GLN A 141
ILE A 180
 None
 1.40A 2trtA-5fjjA:
0.0		 2trtA-5fjjA:
14.92
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.
5ju6 BETA-GLUCOSIDASE

(Rasamsonia
emersonii) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 SER A  93
PHE A 106
HIS A 384
GLN A 140
ILE A 179
 None
 1.39A 2trtA-5ju6A:
0.0		 2trtA-5ju6A:
13.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mru TETRACYCLINE
REPRESSOR, CLASS A

(Pseudomonas sp.) 		no annotation 7 HIS A  64
ASN A  82
PHE A  86
HIS A 100
ARG A 104
PRO A 105
GLN A 116
 TDC  A 301 (-3.8A)
TDC  A 301 (-3.2A)
TDC  A 301 (-3.3A)
MG  A 302 ( 3.2A)
TDC  A 301 (-4.0A)
TDC  A 301 (-4.5A)
TDC  A 301 (-2.8A)
 0.54A 2trtA-5mruA:
23.9		 2trtA-5mruA:
47.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mru TETRACYCLINE
REPRESSOR, CLASS A

(Pseudomonas sp.) 		no annotation 7 HIS A  64
ASN A  82
PHE A  86
HIS A 100
PRO A 105
GLN A 116
SER A 138
 TDC  A 301 (-3.8A)
TDC  A 301 (-3.2A)
TDC  A 301 (-3.3A)
MG  A 302 ( 3.2A)
TDC  A 301 (-4.5A)
TDC  A 301 (-2.8A)
TDC  A 301 ( 3.7A)
 0.62A 2trtA-5mruA:
23.9		 2trtA-5mruA:
47.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mru TETRACYCLINE
REPRESSOR, CLASS A

(Pseudomonas sp.) 		no annotation 5 HIS A  64
SER A  67
ASN A  82
HIS A 100
ILE A 137
 TDC  A 301 (-3.8A)
TDC  A 301 (-3.3A)
TDC  A 301 (-3.2A)
MG  A 302 ( 3.2A)
TDC  A 301 ( 4.5A)
 1.42A 2trtA-5mruA:
23.9		 2trtA-5mruA:
47.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mru TETRACYCLINE
REPRESSOR, CLASS A

(Pseudomonas sp.) 		no annotation 7 HIS A  64
SER A  67
ASN A  82
PHE A  86
HIS A 100
GLN A 116
SER A 138
 TDC  A 301 (-3.8A)
TDC  A 301 (-3.3A)
TDC  A 301 (-3.2A)
TDC  A 301 (-3.3A)
MG  A 302 ( 3.2A)
TDC  A 301 (-2.8A)
TDC  A 301 ( 3.7A)
 0.73A 2trtA-5mruA:
23.9		 2trtA-5mruA:
47.57
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.
5odo ISOMERASE

(Rhodococcus
erythropolis) 		no annotation 5 HIS A 401
HIS A 399
ARG A  76
ILE A 233
SER A 225
 None
None
FMT  A 607 (-3.6A)
None
None
 1.28A 2trtA-5odoA:
undetectable		 2trtA-5odoA:
17.38
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.
5w99 PBTD

(Planobispora
rosea) 		no annotation 5 SER A  55
PHE A  49
ARG A  23
PRO A  24
SER A  33
 None
 1.50A 2trtA-5w99A:
undetectable		 2trtA-5w99A:
16.27