SIMILAR PATTERNS OF AMINO ACIDS FOR 3TNE_B_RITB401_2

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.
1b5f PROTEIN (CARDOSIN A)

(Cynara
cardunculus) 		PF00026
(Asp) 		4 SER A  35
TYR A  75
ILE A 120
THR A 218
 None
 0.47A 3tneB-1b5fA:
22.8		 3tneB-1b5fA:
24.86
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.
1bqy PLASMINOGEN
ACTIVATOR

(Trimeresurus
stejnegeri) 		PF00089
(Trypsin) 		4 SER A 195
THR A 229
THR A 180
TYR A 234
 0GJ  A   1 ( 1.4A)
None
None
None
 0.80A 3tneB-1bqyA:
undetectable		 3tneB-1bqyA:
21.10
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.
1csj HEPATITIS C VIRUS
RNA POLYMERASE
(NS5B)

(Hepacivirus C) 		PF00998
(RdRP_3) 		4 SER A 190
TYR A 296
VAL A  67
TYR A 219
 None
 1.05A 3tneB-1csjA:
undetectable		 3tneB-1csjA:
19.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		4 SER E  35
TYR E  75
ILE E 120
THR E 218
 None
 0.42A 3tneB-1cziE:
36.7		 3tneB-1cziE:
33.15
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.
1d2o COLLAGEN ADHESIN

(Staphylococcus
aureus) 		PF05738
(Cna_B) 		4 VAL A 559
ILE A 618
THR A 610
THR A 627
 None
 1.00A 3tneB-1d2oA:
undetectable		 3tneB-1d2oA:
21.69
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.
1d2p COLLAGEN ADHESIN

(Staphylococcus
aureus) 		PF05738
(Cna_B) 		4 VAL A 559
ILE A 618
THR A 610
THR A 627
 None
 0.95A 3tneB-1d2pA:
undetectable		 3tneB-1d2pA:
23.81
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.
1d2p COLLAGEN ADHESIN

(Staphylococcus
aureus) 		PF05738
(Cna_B) 		4 VAL A 746
ILE A 805
THR A 797
THR A 814
 None
 0.96A 3tneB-1d2pA:
undetectable		 3tneB-1d2pA:
23.81
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.
1eg3 DYSTROPHIN

(Homo sapiens) 		PF00397
(WW)
PF09068
(EF-hand_2)
PF09069
(EF-hand_3) 		4 SER A 205
VAL A 185
ILE A 244
TYR A 158
 None
 1.03A 3tneB-1eg3A:
undetectable		 3tneB-1eg3A:
23.08
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.
1f5j BETA-1,4-XYLANASE

(Dictyoglomus
thermophilum) 		PF00457
(Glyco_hydro_11) 		4 TYR A  52
ILE A 175
THR A 171
THR A  85
 None
 1.03A 3tneB-1f5jA:
undetectable		 3tneB-1f5jA:
21.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ibq ASPERGILLOPEPSIN

(Aspergillus
phoenicis) 		PF00026
(Asp) 		4 SER A  35
TYR A  74
THR A 217
THR A 218
 None
 0.43A 3tneB-1ibqA:
35.6		 3tneB-1ibqA:
31.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ize ASPARTIC PROTEINASE

(Aspergillus
oryzae) 		PF00026
(Asp) 		4 SER A  36
TYR A  75
THR A 217
THR A 218
 None
 0.23A 3tneB-1izeA:
35.9		 3tneB-1izeA:
30.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j71 ASPARTIC PROTEINASE

(Candida
tropicalis) 		PF00026
(Asp) 		7 SER A  35
TYR A  84
VAL A 119
ILE A 123
THR A 221
THR A 222
TYR A 225
 None
None
None
None
EOH  A 575 ( 4.4A)
None
EOH  A 575 ( 4.0A)
 0.51A 3tneB-1j71A:
49.5		 3tneB-1j71A:
54.62
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.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		4 SER A  35
TYR A  75
ILE A 120
THR A 218
 None
 0.50A 3tneB-1mppA:
37.5		 3tneB-1mppA:
29.87
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.
1n61 CARBON MONOXIDE
DEHYDROGENASE MEDIUM
CHAIN

(Oligotropha
carboxidovorans) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		4 SER C  84
ILE C  63
THR C  77
THR C 111
 None
None
None
FAD  C3932 (-2.9A)
 0.98A 3tneB-1n61C:
undetectable		 3tneB-1n61C:
20.70
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.
1nep EPIDIDYMAL SECRETORY
PROTEIN E1

(Bos taurus) 		PF02221
(E1_DerP2_DerF2) 		4 TYR A  36
VAL A  96
ILE A 126
TYR A  90
 None
 0.75A 3tneB-1nepA:
undetectable		 3tneB-1nepA:
15.45
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.
1op2 VENOM SERINE
PROTEINASE

(Deinagkistrodon
acutus) 		PF00089
(Trypsin) 		4 SER A 195
THR A 229
THR A 180
TYR A 234
 None
 0.86A 3tneB-1op2A:
undetectable		 3tneB-1op2A:
21.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qrp PEPSIN 3A

(Homo sapiens) 		PF00026
(Asp) 		4 SER E  35
TYR E  75
ILE E 120
THR E 218
 HH0  E 327 (-4.1A)
HH0  E 327 (-4.5A)
None
HH0  E 327 (-3.7A)
 0.33A 3tneB-1qrpE:
37.5		 3tneB-1qrpE:
30.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qs8 PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		5 SER A  37
TYR A  77
ILE A 123
THR A 217
THR A 218
 None
 0.40A 3tneB-1qs8A:
35.0		 3tneB-1qs8A:
30.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tzs CATHEPSIN E

(Homo sapiens) 		PF00026
(Asp) 		4 SER A  46
TYR A  86
ILE A 131
THR A 231
 None
 0.57A 3tneB-1tzsA:
33.8		 3tneB-1tzsA:
33.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uh9 HIZOPUSPEPSIN I

(Rhizopus
microsporus) 		PF00026
(Asp) 		4 SER A  38
TYR A  77
THR A 221
THR A 222
 None
 0.44A 3tneB-1uh9A:
39.0		 3tneB-1uh9A:
30.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wkr POLYPOROPEPSIN

(Irpex lacteus) 		PF00026
(Asp) 		5 SER A  35
TYR A  63
ILE A 104
THR A 215
THR A 216
 None
 0.53A 3tneB-1wkrA:
35.3		 3tneB-1wkrA:
32.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		6 SER A  35
TYR A  84
ILE A 123
THR A 221
THR A 222
TYR A 225
 A70  A 500 ( 4.5A)
A70  A 500 (-3.8A)
A70  A 500 (-4.8A)
A70  A 500 (-3.6A)
A70  A 500 (-4.0A)
A70  A 500 ( 4.0A)
 0.41A 3tneB-1zapA:
48.1		 3tneB-1zapA:
51.42
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.
2af4 PHOSPHATE
ACETYLTRANSFERASE

(Methanosarcina
thermophila) 		PF01515
(PTA_PTB) 		4 SER C 190
VAL C 175
ILE C 186
THR C 141
 None
 0.99A 3tneB-2af4C:
undetectable		 3tneB-2af4C:
23.20
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.
2anl PLASMEPSIN IV

(Plasmodium
malariae) 		PF00026
(Asp) 		4 SER A  37
TYR A  77
ILE A 123
THR A 217
 None
JE2  A3151 (-3.6A)
None
JE2  A3151 (-2.6A)
 0.68A 3tneB-2anlA:
34.1		 3tneB-2anlA:
29.63
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		4 SER A 640
VAL A  91
ILE A 643
THR A 628
 None
 1.05A 3tneB-2b3xA:
undetectable		 3tneB-2b3xA:
18.47
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.
2ewy BETA-SECRETASE 2

(Homo sapiens) 		PF00026
(Asp) 		5 SER A  51
TYR A  87
ILE A 134
THR A 244
THR A 245
 DBO  A1001 (-4.1A)
DBO  A1001 (-3.8A)
None
DBO  A1001 (-3.8A)
DBO  A1001 (-3.8A)
 0.54A 3tneB-2ewyA:
33.0		 3tneB-2ewyA:
26.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h6t CANDIDAPEPSIN-3

(Candida
albicans) 		PF00026
(Asp) 		7 SER A  35
TYR A  84
VAL A 119
ILE A 123
THR A 221
THR A 222
TYR A 225
 None
 0.46A 3tneB-2h6tA:
47.8		 3tneB-2h6tA:
53.71
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.
2okx RHAMNOSIDASE B

(Bacillus sp.
GL1) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 TYR A  50
VAL A  92
ILE A  44
TYR A 104
 None
 0.90A 3tneB-2okxA:
undetectable		 3tneB-2okxA:
17.40
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.
2po4 VIRION RNA
POLYMERASE

(Escherichia
virus N4) 		no annotation 4 SER A 209
VAL A 252
THR A 199
TYR A 431
 None
 0.89A 3tneB-2po4A:
undetectable		 3tneB-2po4A:
16.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		4 ILE A 119
THR A 221
THR A 222
TYR A 225
 None
 0.88A 3tneB-2qzwA:
48.5		 3tneB-2qzwA:
52.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		6 SER A  35
TYR A  84
ILE A 123
THR A 221
THR A 222
TYR A 225
 None
 0.42A 3tneB-2qzwA:
48.5		 3tneB-2qzwA:
52.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qzx CANDIDAPEPSIN-5

(Candida
albicans) 		PF00026
(Asp) 		6 SER A  35
TYR A  84
ILE A 123
THR A 221
THR A 222
TYR A 225
 None
 0.35A 3tneB-2qzxA:
47.7		 3tneB-2qzxA:
46.15
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.
2vhh CG3027-PA

(Drosophila
melanogaster) 		PF00795
(CN_hydrolase) 		4 VAL A 116
ILE A 105
THR A 148
THR A 149
 None
 1.00A 3tneB-2vhhA:
undetectable		 3tneB-2vhhA:
20.72
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.
2we5 CARBAMATE KINASE 1

(Enterococcus
faecalis) 		PF00696
(AA_kinase) 		4 VAL A 234
ILE A 272
THR A 250
THR A 309
 ADP  A1311 ( 3.9A)
None
None
None
 1.07A 3tneB-2we5A:
undetectable		 3tneB-2we5A:
21.26
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.
2wed PENICILLOPEPSIN

(Penicillium
janthinellum) 		PF00026
(Asp) 		4 SER A  36
TYR A  75
THR A 216
THR A 217
 PP6  A 327 ( 4.0A)
PP6  A 327 (-3.8A)
PP6  A 327 (-3.6A)
PP6  A 327 (-4.5A)
 0.30A 3tneB-2wedA:
35.8		 3tneB-2wedA:
29.78
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.
2xym RNA-DIRECTED RNA
POLYMERASE

(Hepacivirus C) 		PF00998
(RdRP_3) 		4 SER A 190
TYR A 296
VAL A  67
TYR A 219
 None
 1.06A 3tneB-2xymA:
undetectable		 3tneB-2xymA:
20.98
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.
2z0m 337AA LONG
HYPOTHETICAL
ATP-DEPENDENT RNA
HELICASE DEAD

(Sulfurisphaera
tokodaii) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 VAL A 103
ILE A 125
THR A 112
THR A  63
 None
 1.05A 3tneB-2z0mA:
undetectable		 3tneB-2z0mA:
21.28
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.
3ab4 ASPARTOKINASE

(Corynebacterium
glutamicum) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		4 SER A 209
VAL A 176
ILE A 211
THR A 181
 None
 1.09A 3tneB-3ab4A:
undetectable		 3tneB-3ab4A:
23.74
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.
3al9 PLEXIN-A2

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI) 		4 SER A 434
VAL A 475
ILE A 482
TYR A 438
 None
 0.97A 3tneB-3al9A:
undetectable		 3tneB-3al9A:
20.88
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.
3b8a HEXOKINASE-1

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 TYR X 309
VAL X 289
THR X 344
TYR X 424
 None
 0.93A 3tneB-3b8aX:
undetectable		 3tneB-3b8aX:
20.55
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.
3bvm ENTEROTOXIN TYPE C-3

(Staphylococcus
aureus) 		PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C) 		4 TYR A  85
ILE A 161
THR A  66
TYR A  51
 None
 1.04A 3tneB-3bvmA:
undetectable		 3tneB-3bvmA:
21.05
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.
3bwx ALPHA/BETA HYDROLASE

(Novosphingobium
aromaticivorans) 		PF12697
(Abhydrolase_6) 		4 VAL A 125
ILE A 277
THR A 267
TYR A 169
 None
None
EDO  A 289 (-2.9A)
None
 0.95A 3tneB-3bwxA:
undetectable		 3tneB-3bwxA:
21.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE

(Trichoderma
reesei) 		PF00026
(Asp) 		4 SER A  35
TYR A  75
THR A 218
THR A 219
 None
 0.34A 3tneB-3emyA:
35.8		 3tneB-3emyA:
31.28
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.
3fez UNCHARACTERIZED
FERREDOXIN FOLD
PROTEIN RELATED TO
ANTIBIOTIC
BIOSYNTHESIS
MONOOXYGENASES

(Listeria
monocytogenes) 		no annotation 4 TYR A  38
VAL A   4
ILE A 117
THR A   8
 None
 1.08A 3tneB-3fezA:
undetectable		 3tneB-3fezA:
20.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fv3 SAPP1P-SECRETED
ASPARTIC PROTEASE 1

(Candida
parapsilosis) 		PF00026
(Asp) 		7 SER A  35
TYR A  78
VAL A 113
ILE A 117
THR A 223
THR A 224
TYR A 227
 None
None
None
None
None
None
GOL  A 341 ( 4.6A)
 0.27A 3tneB-3fv3A:
56.2		 3tneB-3fv3A:
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.
3gsz RNA-DIRECTED RNA
POLYMERASE

(Hepacivirus C) 		PF00998
(RdRP_3) 		4 SER A 190
TYR A 296
VAL A  67
TYR A 219
 None
 1.03A 3tneB-3gszA:
undetectable		 3tneB-3gszA:
22.44
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.
3h3b ANTI-ERBB2 ANTIBODY
CHA21
RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2

(Homo sapiens;
Mus musculus) 		PF01030
(Recep_L_domain)
PF07686
(V-set) 		4 VAL A 131
ILE A 150
THR A 144
TYR C 236
 None
 1.07A 3tneB-3h3bA:
undetectable		 3tneB-3h3bA:
18.69
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.
3i3l ALKYLHALIDASE CMLS

(Streptomyces
venezuelae) 		PF04820
(Trp_halogenase) 		4 VAL A 160
ILE A   9
THR A 145
THR A 154
 None
FAD  A 600 ( 4.9A)
None
None
 1.05A 3tneB-3i3lA:
undetectable		 3tneB-3i3lA:
21.23
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.
3m9u FARNESYL-DIPHOSPHATE
SYNTHASE

(Lactobacillus
brevis) 		PF00348
(polyprenyl_synt) 		4 SER A  30
VAL A  43
ILE A  26
THR A 124
 None
 1.02A 3tneB-3m9uA:
undetectable		 3tneB-3m9uA:
22.74
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.
3mkv PUTATIVE
AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 VAL A 378
ILE A  32
THR A   3
THR A   2
 None
 0.85A 3tneB-3mkvA:
undetectable		 3tneB-3mkvA:
22.12
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.
3oky PLEXIN-A2

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI) 		4 SER A 434
VAL A 475
ILE A 482
TYR A 438
 None
 1.07A 3tneB-3okyA:
undetectable		 3tneB-3okyA:
18.92
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.
3qgh RNA-DIRECTED RNA
POLYMERASE

(Hepacivirus C) 		PF00998
(RdRP_3) 		4 SER A 190
TYR A 296
VAL A  67
TYR A 219
 None
 1.05A 3tneB-3qghA:
undetectable		 3tneB-3qghA:
19.34
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.
3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)

(Mycobacterium
ulcerans) 		PF01053
(Cys_Met_Meta_PP) 		4 VAL A 140
ILE A 151
THR A 155
THR A 157
 None
 1.09A 3tneB-3qi6A:
undetectable		 3tneB-3qi6A:
20.10
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.
3qs1 PLASMEPSIN-1

(Plasmodium
falciparum) 		PF00026
(Asp) 		4 SER A  35
TYR A  75
ILE A 120
THR A 218
 006  A 330 (-4.5A)
006  A 330 (-4.3A)
006  A 330 ( 4.8A)
006  A 330 (-3.5A)
 0.72A 3tneB-3qs1A:
35.0		 3tneB-3qs1A:
28.37
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.
3s69 THROMBIN-LIKE ENZYME
DEFIBRASE

(Gloydius
saxatilis) 		PF00089
(Trypsin) 		4 SER A 195
THR A 226
THR A 178
TYR A 231
 None
 0.90A 3tneB-3s69A:
undetectable		 3tneB-3s69A:
19.83
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.
3s9b VIPERA RUSSELLI
PROTEINASE RVV-V
GAMMA

(Daboia
siamensis) 		PF00089
(Trypsin) 		4 SER A 195
THR A 229
THR A 180
TYR A 234
 None
 0.83A 3tneB-3s9bA:
undetectable		 3tneB-3s9bA:
20.23
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.
4c41 CORTICOSTEROID-BINDI
NG GLOBULIN

(Homo sapiens) 		PF00079
(Serpin) 		4 SER A 267
VAL A  22
ILE A 263
TYR A 235
 None
 1.03A 3tneB-4c41A:
undetectable		 3tneB-4c41A:
22.74
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.
4cns DIHYDROPYRIMIDINASE-
LIKE 3

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 SER A 131
VAL A 358
ILE A 104
THR A  85
 None
 1.01A 3tneB-4cnsA:
undetectable		 3tneB-4cnsA:
23.60
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.
4cnt DIHYDROPYRIMIDINASE-
LIKE 3

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 SER A 131
VAL A 358
ILE A 104
THR A  85
 None
 1.06A 3tneB-4cntA:
undetectable		 3tneB-4cntA:
22.11
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.
4gso THROMBIN-LIKE ENZYME
BJUSSUSP-1

(Bothrops
jararacussu) 		PF00089
(Trypsin) 		4 SER A 178
THR A 209
THR A 161
TYR A 214
 None
 0.95A 3tneB-4gsoA:
undetectable		 3tneB-4gsoA:
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		4 SER A  10
TYR A  39
ILE A  69
THR A  47
 None
 0.96A 3tneB-4ineA:
undetectable		 3tneB-4ineA:
22.50
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.
4jqt PUTATIVE GLYCOSYL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF06439
(DUF1080) 		4 ILE A  50
THR A  65
THR A  66
TYR A  69
 None
 0.90A 3tneB-4jqtA:
undetectable		 3tneB-4jqtA:
22.52
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.
4jys PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Plasmodium
vivax) 		PF00254
(FKBP_C) 		4 TYR A 168
ILE A 142
THR A 113
THR A 114
 None
 0.88A 3tneB-4jysA:
undetectable		 3tneB-4jysA:
16.81
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.
4o5m ISOVALERYL-COA
DEHYDROGENASE

(Brucella suis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ILE A 373
THR A 312
THR A 311
TYR A 241
 None
 0.88A 3tneB-4o5mA:
undetectable		 3tneB-4o5mA:
21.08
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.
4r4g PUTATIVE LIPOPROTEIN
YCDA

(Bacillus
subtilis) 		PF11611
(DUF4352)
PF17118
(DUF5105) 		4 SER A 179
ILE A 250
THR A 254
THR A 255
 None
None
None
PG4  A 402 (-4.2A)
 1.08A 3tneB-4r4gA:
undetectable		 3tneB-4r4gA:
22.40
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.
4tvi AMINOTRANSFERASE,
CLASS IV

(Brucella
abortus) 		PF01063
(Aminotran_4) 		4 VAL A 212
ILE A 277
THR A 156
THR A 157
 None
 0.77A 3tneB-4tviA:
undetectable		 3tneB-4tviA:
21.35
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.
4v33 POLYSACCHARIDE
DEACETYLASE-LIKE
PROTEIN

(Bacillus
anthracis) 		PF01522
(Polysacc_deac_1) 		4 SER A 263
TYR A 318
THR A 322
THR A 323
 None
 0.89A 3tneB-4v33A:
undetectable		 3tneB-4v33A:
21.19
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.
4wa0 POSSIBLE ADHESIN

(Caldicellulosiruptor
kronotskyensis) 		no annotation 4 VAL A 403
ILE A 431
THR A 422
THR A 421
 None
 0.89A 3tneB-4wa0A:
undetectable		 3tneB-4wa0A:
23.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4y9w ASPARTIC ACID
ENDOPEPTIDASE SAPP2

(Candida
parapsilosis) 		PF00026
(Asp) 		7 SER A  35
TYR A  77
VAL A 112
ILE A 116
THR A 214
THR A 215
TYR A 218
 None
 0.39A 3tneB-4y9wA:
49.0		 3tneB-4y9wA:
58.02
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.
4yte H(2)-FORMING
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE-RELATE
D PROTEIN MJ0715

(Methanocaldococcus
jannaschii) 		no annotation 4 SER A 141
VAL A 182
ILE A 159
THR A 115
 None
 0.96A 3tneB-4yteA:
undetectable		 3tneB-4yteA:
18.29
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.
4z1x LAGLIDADG
ENDONUCLEASE

(Fusarium
graminearum) 		PF00961
(LAGLIDADG_1) 		4 SER A 181
THR A 184
THR A 185
TYR A 281
 None
 1.08A 3tneB-4z1xA:
undetectable		 3tneB-4z1xA:
22.25
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.
5a4p UBIQUITIN-CONJUGATIN
G ENZYME E2 Z

(Homo sapiens) 		PF00179
(UQ_con) 		4 VAL A 165
ILE A 213
THR A 169
THR A 170
 None
 0.78A 3tneB-5a4pA:
undetectable		 3tneB-5a4pA:
21.04
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.
5fa1 PUTATIVE N-ACETYL
GLUCOSAMINYL
TRANSFERASE

(Raoultella
terrigena) 		PF05159
(Capsule_synth) 		4 SER A 123
ILE A 127
THR A  81
THR A  37
 None
 1.06A 3tneB-5fa1A:
undetectable		 3tneB-5fa1A:
22.66
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.
5g39 PHOTOSYSTEM II
MANGANESE-STABILIZIN
G POLYPEPTIDE

(Thermosynechococcus
elongatus) 		PF01716
(MSP) 		4 TYR A  30
ILE A 187
THR A 130
THR A 131
 None
 0.94A 3tneB-5g39A:
undetectable		 3tneB-5g39A:
20.47
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.
5gj8 ACYL-COA
DEHYDROGENASE TYPE 2
DOMAIN PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 TYR A 155
VAL A 226
ILE A 229
THR A 147
THR A 146
 None
 0.82A 3tneB-5gj8A:
undetectable		 3tneB-5gj8A:
19.36
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.
5h4r BETA-1,3-1,4-GLUCANA
SE

(Caldicellulosiruptor
sp. F32) 		PF00150
(Cellulase) 		4 SER A  32
VAL A 316
ILE A  35
TYR A 346
 None
 0.99A 3tneB-5h4rA:
undetectable		 3tneB-5h4rA:
22.59
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.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		5 SER A  38
TYR A  79
THR A 222
THR A 223
TYR A 226
 None
61P  A 406 (-4.3A)
61P  A 406 ( 3.5A)
PG4  A 408 (-3.8A)
61P  A 406 (-4.0A)
 0.42A 3tneB-5hctA:
36.7		 3tneB-5hctA:
26.44
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.
5hd2 PARASPORAL CRYSTAL
PROTEIN

(Bacillus
thuringiensis) 		PF03318
(ETX_MTX2) 		4 VAL A 254
ILE A 183
THR A 133
THR A 132
 None
 0.93A 3tneB-5hd2A:
undetectable		 3tneB-5hd2A:
25.27
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.
5i5d INNER MEMBRANE
PROTEIN YEJM

(Salmonella
enterica) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		4 VAL A 262
ILE A 446
THR A 496
TYR A 512
 None
 1.07A 3tneB-5i5dA:
undetectable		 3tneB-5i5dA:
19.66
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.
5i70 PLASMEPSIN IV

(Plasmodium
falciparum) 		no annotation 4 SER B  37
TYR B  77
ILE B 123
THR B 217
 None
 0.69A 3tneB-5i70B:
34.9		 3tneB-5i70B:
29.53
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.
5jjh 4-ALPHA-GLUCANOTRANS
FERASE

(Corynebacterium
glutamicum) 		PF02446
(Glyco_hydro_77) 		4 TYR A 172
VAL A 504
ILE A 381
THR A 646
 None
 0.82A 3tneB-5jjhA:
undetectable		 3tneB-5jjhA:
17.85
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.
5lh9 OMEGA TRANSAMINASE

(Pseudomonas sp.) 		PF00202
(Aminotran_3) 		4 VAL A 158
ILE A 220
THR A 121
TYR A 320
 None
 0.94A 3tneB-5lh9A:
undetectable		 3tneB-5lh9A:
22.93
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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN2

(Saccharomyces
cerevisiae) 		PF01851
(PC_rep)
PF13646
(HEAT_2) 		4 ILE N 882
THR N 757
THR N 756
TYR N 299
 None
 0.69A 3tneB-5mpdN:
undetectable		 3tneB-5mpdN:
17.33
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.
5muz L PROTEIN

(California
reptarenavirus) 		no annotation 4 ILE A1814
THR A1820
THR A1821
TYR A1872
 None
 1.01A 3tneB-5muzA:
undetectable		 3tneB-5muzA:
14.46
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.
5n0c TETANUS TOXIN

(Clostridium
tetani) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		4 SER A 377
TYR A 739
ILE A 210
THR A 732
 None
 1.07A 3tneB-5n0cA:
undetectable		 3tneB-5n0cA:
13.92
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.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus) 		no annotation 4 SER A  39
TYR A  79
ILE A 124
THR A 230
 None
 0.37A 3tneB-5n7qA:
37.3		 3tneB-5n7qA:
13.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		5 SER A  38
TYR A  79
THR A 222
THR A 223
TYR A 226
 None
 0.37A 3tneB-5p60A:
36.8		 3tneB-5p60A:
30.77
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.
5pep PEPSIN

(Sus scrofa) 		PF00026
(Asp) 		4 SER A  35
TYR A  75
ILE A 120
THR A 218
 None
 0.67A 3tneB-5pepA:
37.0		 3tneB-5pepA:
28.97
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.
5sga PROTEINASE A (SGPA)

(Streptomyces
griseus) 		PF00089
(Trypsin) 		4 SER E 195
VAL E 177
THR E 226
THR E 225
 None
 0.82A 3tneB-5sgaE:
undetectable		 3tneB-5sgaE:
22.98
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.
5t9g GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 SER A 731
VAL A 676
ILE A 626
THR A 735
 None
 0.95A 3tneB-5t9gA:
undetectable		 3tneB-5t9gA:
16.75
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.
5tpw GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2A

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		4 SER B 171
ILE B 222
THR B 174
THR B 175
 None
 0.92A 3tneB-5tpwB:
undetectable		 3tneB-5tpwB:
24.81
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.
5tus RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		4 TYR A 680
ILE A 513
THR A 682
THR A 621
 None
 1.08A 3tneB-5tusA:
undetectable		 3tneB-5tusA:
19.17
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.
5x15 PUTATIVE TRANSFERASE

(Streptomyces
coelicolor) 		PF03737
(RraA-like) 		4 VAL A 139
ILE A 169
THR A 174
THR A 175
 None
 0.92A 3tneB-5x15A:
undetectable		 3tneB-5x15A:
22.64
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.
5x8t 50S RIBOSOMAL
PROTEIN L19,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF01245
(Ribosomal_L19) 		4 VAL Q 149
ILE Q 151
THR Q 180
THR Q 179
 None
None
U  A2701 ( 4.0A)
None
 1.03A 3tneB-5x8tQ:
undetectable		 3tneB-5x8tQ:
15.98
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.
5xfm ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 TYR A 182
ILE A 485
THR A 159
THR A 158
 None
 0.69A 3tneB-5xfmA:
undetectable		 3tneB-5xfmA:
12.54
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.
5yid PLASMEPSIN II

(Plasmodium
falciparum) 		no annotation 4 SER A  39
TYR A  79
ILE A 125
THR A 219
 K95  A 401 ( 4.8A)
K95  A 401 (-4.3A)
K95  A 401 ( 4.7A)
K95  A 401 (-3.8A)
 0.55A 3tneB-5yidA:
34.4		 3tneB-5yidA:
12.09
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.
6bwt THIOREDOXIN
REDUCTASE

(Francisella
tularensis) 		no annotation 4 VAL A 237
ILE A 239
THR A 205
THR A 204
 None
 0.80A 3tneB-6bwtA:
undetectable		 3tneB-6bwtA:
13.45
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.
6ej2 BETA-SECRETASE 1

(Homo sapiens) 		no annotation 4 SER A 444
ILE A 527
THR A 640
THR A 641
 B7E  A 901 ( 3.7A)
B7E  A 901 (-4.4A)
None
None
 0.39A 3tneB-6ej2A:
32.1		 3tneB-6ej2A:
11.68
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.
6er3 BNR/ASP-BOX REPEAT
PROTEIN

([Ruminococcus]
gnavus) 		no annotation 4 TYR A  46
VAL A 103
ILE A  76
THR A  49
 None
 1.06A 3tneB-6er3A:
undetectable		 3tneB-6er3A:
15.70
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.
6f5d ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL

(Trypanosoma
brucei) 		no annotation 4 TYR A 216
VAL A 193
ILE A 229
THR A 243
 None
 0.94A 3tneB-6f5dA:
undetectable		 3tneB-6f5dA:
15.09