POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
1) User may click on the DrReposER ID (the second 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 through AutoDock Vina.


DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD Seq.
Identity (%)
View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
1elv COMPLEMENT C1S
COMPONENT
(Homo
sapiens)
6 / 6ASP A 611
SER A 612
SER A 617
VAL A 638
GLY A 641
GLY A 648
None
None
SO4  A2001 ( 2.7A)
None
None
None
0.29A30.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
1fq3 GRANZYME B
(Homo
sapiens)
4 / 6SER A 190
SER A 195
VAL A 213
GLY A 216
None
SO4  A 800 (-2.4A)
None
None
0.69A36.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
1fxy COAGULATION FACTOR
XA-TRYPSIN CHIMERA
(Homo
sapiens)
6 / 6ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 216
GLY A 226
0G6  A   1 (-2.8A)
0G6  A   1 (-2.8A)
0G6  A   1 (-1.4A)
None
0G6  A   1 (-3.9A)
0G6  A   1 (-3.3A)
0.29A55.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
1gvl KALLIKREIN 6
(Homo
sapiens)
4 / 6SER A 195
VAL A 213
GLY A 216
GLY A 226
None
0.55A44.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
1h4w TRYPSIN IVA
(Homo
sapiens)
6 / 6ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 216
GLY A 226
BEN  A 250 (-2.9A)
BEN  A 250 (-2.9A)
BEN  A 250 (-3.6A)
None
BEN  A 250 (-3.9A)
BEN  A 250 (-3.3A)
0.20A72.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
1o5f SERINE PROTEASE
HEPSIN
(Homo
sapiens)
5 / 6ASP H 189
SER H 195
VAL H 213
GLY H 216
GLY H 226
CR9  H 256 (-2.4A)
CR9  H 256 (-1.5A)
CR9  H 256 (-4.3A)
CR9  H 256 ( 3.8A)
CR9  H 256 (-3.0A)
0.23A41.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
1orf GRANZYME A
(Homo
sapiens)
5 / 6ASP A 189
SER A 190
SER A 195
GLY A 216
GLY A 226
0G6  A   1 (-2.9A)
0G6  A   1 (-2.9A)
0G6  A   1 (-1.3A)
0G6  A   1 (-3.3A)
0G6  A   1 (-3.5A)
0.31A35.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
1q3x MANNAN-BINDING
LECTIN SERINE
PROTEASE 2
(Homo
sapiens)
6 / 6ASP A 627
SER A 628
SER A 633
VAL A 653
GLY A 656
GLY A 667
NA  A 800 ( 4.6A)
GOL  A 701 (-3.4A)
GOL  A 701 (-3.0A)
GOL  A 701 (-4.9A)
GOL  A 701 ( 4.1A)
GOL  A 701 ( 4.0A)
0.31A30.58
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)
1zjk MANNAN-BINDING
LECTIN SERINE
PROTEASE 2
(Homo
sapiens)
4 / 6SER A 633
VAL A 653
GLY A 656
GLY A 667
None
0.66A26.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
1zlr COAGULATION FACTOR
XI
(Homo
sapiens)
4 / 6ASP A 189
SER A 195
GLY A 216
GLY A 226
368  A 901 (-2.8A)
368  A 901 (-1.4A)
368  A 901 (-3.6A)
368  A 901 (-3.5A)
0.27A39.67
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)
2b5n DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1
(Homo
sapiens)
4 / 6ASP A 654
SER A 653
GLY A 609
GLY A 632
None
0.75A20.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
2ei8 COAGULATION FACTOR
X, HEAVY CHAIN
(Homo
sapiens)
5 / 6ASP A 189
SER A 195
VAL A 213
GLY A 216
GLY A 226
DT8  A 700 (-3.5A)
DT8  A 700 ( 3.9A)
DT8  A 700 ( 4.1A)
DT8  A 700 (-3.5A)
DT8  A 700 (-3.5A)
0.45A38.98
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)
2ipp CATHEPSIN B
(Homo
sapiens)
4 / 6SER A  39
VAL B  52
GLY B  92
GLY B  99
None
0.77A12.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E
(Homo
sapiens)
5 / 6ASP A 189
SER A 195
VAL A 213
GLY A 216
GLY A 226
BEN  A 245 (-3.0A)
BEN  A 245 (-3.3A)
None
BEN  A 245 ( 3.8A)
BEN  A 245 (-3.4A)
0.25A37.80
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)
2pks THROMBIN HEAVY CHAIN
FRAGMENT
(Homo
sapiens)
5 / 6ASP C 229
SER C 235
VAL C 255
GLY C 258
GLY C 268
G44  C 101 (-2.6A)
G44  C 101 (-3.5A)
None
G44  C 101 (-3.3A)
G44  C 101 (-3.0A)
0.33A21.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
2psy KALLIKREIN-5
(Homo
sapiens)
6 / 6ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 216
GLY A 226
None
0.34A47.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
2qy0 COMPLEMENT C1R
SUBCOMPONENT
(Homo
sapiens)
5 / 6ASP B 631
SER B 637
VAL B 657
GLY B 660
GLY B 668
None
0.47A32.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
2r0l HEPATOCYTE GROWTH
FACTOR ACTIVATOR
(Homo
sapiens)
4 / 6ASP A 189
SER A 195
GLY A 216
GLY A 226
None
0.33A37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
2r2w PLASMINOGEN
ACTIVATOR, UROKINASE
(Homo
sapiens)
6 / 6ASP U 189
SER U 190
SER U 195
VAL U 213
GLY U 216
GLY U 226
4PG  U 300 (-2.8A)
4PG  U 300 (-2.7A)
4PG  U 300 (-3.5A)
None
4PG  U 300 (-3.3A)
4PG  U 300 (-3.2A)
0.64A38.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
2wpm COAGULATION FACTOR
IXA HEAVY CHAIN
(Homo
sapiens)
5 / 6ASP S 189
SER S 190
SER S 195
GLY S 216
GLY S 226
None
0.25A41.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
2zec TRYPTASE BETA 2
(Homo
sapiens)
6 / 6ASP A 203
SER A 204
SER A 209
VAL A 227
GLY A 230
GLY A 240
11N  A   1 (-2.6A)
11N  A   1 (-3.5A)
11N  A   1 (-3.3A)
None
11N  A   1 (-3.9A)
11N  A   1 (-3.6A)
0.36A40.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
3f6u VITAMIN K-DEPENDENT
PROTEIN C HEAVY
CHAIN
(Homo
sapiens)
5 / 6ASP H 189
SER H 195
VAL H 213
GLY H 216
GLY H 226
0G6  H   1 (-2.8A)
0G6  H   1 (-1.8A)
None
0G6  H   1 (-3.8A)
0G6  H   1 ( 3.9A)
0.40A35.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
3gov MASP-1
(Homo
sapiens)
5 / 6ASP B 640
SER B 646
VAL B 666
GLY B 669
GLY B 679
None
0.47A35.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
3gym PROSTASIN
(Homo
sapiens)
5 / 6ASP A 189
SER A 195
VAL A 213
GLY A 216
GLY A 226
None
0.31A40.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
3r3g THROMBIN HEAVY CHAIN
(Homo
sapiens)
5 / 6ASP B 189
SER B 195
VAL B 213
GLY B 216
GLY B 226
None
0.47A37.55
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.
1TNL_A_TPAA900_1
(TRYPSIN)
3zjc GTPASE IMAP FAMILY
MEMBER 7
(Homo
sapiens)
4 / 6SER A  19
SER A  22
GLY A  66
GLY A  15
GNP  A1297 (-3.9A)
MG  A1296 ( 2.4A)
GNP  A1297 ( 4.3A)
None
0.72A19.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
4d9r COMPLEMENT FACTOR D
(Homo
sapiens)
5 / 6ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 226
None
0.61A37.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
4dgj ENTEROPEPTIDASE
CATALYTIC LIGHT
CHAIN
(Homo
sapiens)
5 / 6ASP A 181
SER A 182
SER A 187
GLY A 208
GLY A 218
None
0.57A37.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
4fxg MANNAN-BINDING
LECTIN SERINE
PROTEASE 2 B CHAIN
(Homo
sapiens)
5 / 6ASP H 627
SER H 628
VAL H 653
GLY H 656
GLY H 667
None
0.38A36.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
4iw4 MANNAN-BINDING
LECTIN SERINE
PROTEASE 3
(Homo
sapiens)
5 / 6ASP E 639
SER E 645
VAL E 665
GLY E 668
GLY E 680
None
0.42A34.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
4k8y KALLIKREIN-4
(Homo
sapiens)
6 / 6ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 216
GLY A 226
None
0.38A40.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN
(Homo
sapiens)
6 / 6ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 216
GLY A 226
3KM  A 900 (-2.9A)
3KM  A 900 (-2.9A)
3KM  A 900 (-3.6A)
None
3KM  A 900 (-3.4A)
3KM  A 900 (-3.2A)
0.22A39.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
4wwy TRYPSIN-1
(Homo
sapiens)
6 / 6ASP A 189
SER A 190
SER A 195
VAL A 213
GLY A 216
GLY A 226
None
0.25A74.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
4ylq COAGULATION FACTOR
VII
(Homo
sapiens)
6 / 6ASP H 189
SER H 190
SER H 195
VAL H 213
GLY H 216
GLY H 226
0Z7  H 501 (-2.3A)
0Z7  H 501 (-2.3A)
0Z7  H 501 (-1.4A)
0Z7  H 501 ( 4.7A)
0Z7  H 501 (-3.4A)
0Z7  H 501 (-3.0A)
0.26A40.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
5f8z PLASMA KALLIKREIN
LIGHT CHAIN
(Homo
sapiens)
4 / 6ASP A 189
SER A 195
GLY A 216
GLY A 226
None
0.41A41.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
5fah KALLIKREIN-7
(Homo
sapiens)
4 / 6SER A 195
VAL A 213
GLY A 216
GLY A 226
5VT  A 302 (-4.0A)
None
5VT  A 302 (-3.4A)
5VT  A 302 ( 4.3A)
0.74A41.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
5ms3 KALLIKREIN-8
(Homo
sapiens)
4 / 6ASP A 189
SER A 195
GLY A 216
GLY A 226
None
0.35A33.33
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.
1TNL_A_TPAA900_1
(TRYPSIN)
5to3 PROTHROMBIN,THROMBOM
ODULIN
(Homo
sapiens)
5 / 6ASP B 214
SER B 220
VAL B 240
GLY B 243
GLY B 253
0G6  B 501 (-2.9A)
0G6  B 501 (-1.3A)
None
0G6  B 501 (-3.7A)
0G6  B 501 (-3.6A)
0.25A27.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)
5ubm COMPLEMENT C1S
SUBCOMPONENT
(Homo
sapiens)
6 / 6ASP A 626
SER A 627
SER A 632
VAL A 653
GLY A 656
GLY A 663
None
0.42A33.58
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)
6au6 GUANINE
NUCLEOTIDE-BINDING
PROTEIN G(S) SUBUNIT
ALPHA ISOFORMS SHORT
(Homo
sapiens)
4 / 6SER A  51
SER A  54
GLY A 226
GLY A  47
GDP  A 401 (-3.4A)
MG  A 402 ( 2.1A)
None
None
0.68A21.62
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.
1TNL_A_TPAA900_1
(TRYPSIN)
6b74 COAGULATION FACTOR
XII
(Homo
sapiens)
4 / 6ASP B 189
SER B 195
GLY B 216
GLY B 226
BEN  B 301 (-2.7A)
SO4  B 304 ( 2.5A)
BEN  B 301 (-3.3A)
BEN  B 301 (-3.1A)
0.23A16.74