Ligand ID: TPA


Drugbank ID:
DB00752
(Tranylcypromine)


Indication:
For the treatment of major depressive episode without melancholia.

Get human targets for TPA in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'TPA' AND SARS-RELATED PROTEINS ONLY

1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera throuh AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM 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.
1TNL_A_TPAA900_1
(TRYPSIN)		2w2g NSP3
(SARSr-CoV)		4 / 6
ASP B 424
SER B 516
SER B 652
GLY B 491
1.12A19.86
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 6
ASP A  99
SER A  98
SER A 292
VAL A 118
1.26A18.71
SAM  A 302 (-2.6A)
None
None
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		4m0w REPLICASE
POLYPROTEIN 1A
UBIQUITIN
(Bos
taurus;
SARSr-CoV)		5 / 6
ASP A 165
SER A 116
VAL A 117
GLY B  75
GLY A 164
1.67A20.00
None
NA  A 402 (-2.8A)
None
None
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		4mm3 PAPAIN-LIKE
PROTEINASE
UBIQUITIN
(Homo
sapiens;
SARSr-CoV)		5 / 6
ASP B 165
SER B 116
VAL B 117
GLY A  75
GLY B 164
1.71A21.86
None
None
None
GLZ  A  76 ( 2.4A)
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		5e6j REPLICASE
POLYPROTEIN 1AB
UBIQUITIN
(SARSr-CoV;
synthetic
construct)		4 / 6
ASP D 165
SER D 116
GLY E  75
GLY D 164
1.27A21.84
None
None
AYE  E  76 (-2.4A)
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		5tl6 REPLICASE
POLYPROTEIN 1AB
UBIQUITIN-LIKE
PROTEIN ISG15
(Homo
sapiens;
SARSr-CoV)		4 / 6
ASP B 165
SER B 116
GLY A 156
GLY B 164
1.27A21.86
None
None
AYE  A 157 ( 2.1A)
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
SER C1033
VAL C1047
GLY C1026
GLY C1028
1.07A12.36
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 6
ASP A 719
SER A 717
SER A 750
GLY C 580
1.28A12.46
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		5x5f S PROTEIN
(MERS-CoV)		4 / 6
SER A 440
VAL A 584
GLY A 578
GLY A 610
1.28A10.33
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
ASP A 351
SER A 353
SER A 358
GLY A 326
1.09A12.36
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
SER C1012
VAL B1022
GLY B1026
GLY B1028
1.04A12.50
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
SER B1012
VAL A1022
GLY A1026
GLY A1028
1.14A12.50
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 6
SER C 288
VAL C 441
GLY C 434
GLY C 285
0.98A17.41
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
SER A1012
VAL B1022
GLY B1026
GLY B1028
1.28A12.36
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 6
ASP H 144
SER H 177
VAL H 169
GLY H 174
1.71A24.53
None
GOL  L 301 (-3.1A)
GOL  L 301 (-4.5A)
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 6
SER H 179
SER L 131
VAL L 133
GLY H 139
1.69A24.53
GOL  L 301 (-3.5A)
None
None
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 6
SER H 180
SER H 153
VAL H 152
GLY H 139
1.75A24.53
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 6
SER B 184
SER B 157
VAL B 156
GLY B 143
1.73A
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 6
SER H 184
SER H 157
VAL H 156
GLY H 143
1.74A
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 6
SER L  25
SER L  28
VAL L  29
GLY L  72
1.51A
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 6
SER B 183
SER C 137
VAL C 139
GLY B 143
1.46A
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 6
SER B 190
SER B 131
GLY B 137
GLY B 138
1.51A
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 6
SER H 183
SER L 137
VAL L 139
GLY H 143
1.43A
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 6
SER L  25
SER L  28
VAL L  29
GLY L  72
1.51A
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 6
SER H 184
SER H 157
VAL H 156
GLY H 143
1.72A
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 6
SER H 183
SER L 137
VAL L 139
GLY H 143
1.45A
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 6
SER C  25
SER C  28
VAL C  29
GLY C  72
1.51A
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 6
SER H 184
SER H 157
VAL H 156
GLY H 143
1.74A
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 6
SER L  25
SER L  28
VAL L  29
GLY L  72
1.51A
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 6
SER B 184
SER B 157
VAL B 156
GLY B 143
1.74A
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 6
SER H 183
SER L 137
VAL L 139
GLY H 143
1.44A
None
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.
1TNL_A_TPAA900_1
(TRYPSIN)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 6
SER B 183
SER C 137
VAL C 139
GLY B 143
1.44A
None