SIMILAR PATTERNS OF AMINO ACIDS FOR 3SMT_A_ACTA500_0

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.
1f0i PHOSPHOLIPASE D

(Streptomyces
sp. PMF) 		PF13091
(PLDc_2) 		3 PHE A 431
SER A 499
GLN A 495
 None
 0.96A 3smtA-1f0iA:
0.0		 3smtA-1f0iA:
21.22
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.
1faw HEMOGLOBIN (ALPHA
SUBUNIT)

(Anser anser) 		PF00042
(Globin) 		3 PHE A  46
SER A  52
GLN A  54
 HEM  A 150 (-4.6A)
None
None
 0.94A 3smtA-1fawA:
undetectable		 3smtA-1fawA:
15.54
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.
1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE

(Sus scrofa) 		PF01180
(DHO_dh)
PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF14697
(Fer4_21) 		3 PHE A 100
SER A 160
GLN A 156
 None
None
SF4  A1026 (-2.4A)
 0.73A 3smtA-1h7wA:
0.0		 3smtA-1h7wA:
18.94
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.
1hbr PROTEIN (HEMOGLOBIN
D)

(Gallus gallus) 		PF00042
(Globin) 		3 PHE A  46
SER A  52
GLN A  54
 HEM  A 142 (-4.8A)
None
None
 0.80A 3smtA-1hbrA:
undetectable		 3smtA-1hbrA:
16.36
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.
1ipk BETA-CONGLYCININ,
BETA CHAIN

(Glycine max) 		PF00190
(Cupin_1)
PF07883
(Cupin_2) 		3 PHE A  11
SER A  40
GLN A  42
 None
 0.99A 3smtA-1ipkA:
0.0		 3smtA-1ipkA:
20.91
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.
1jro XANTHINE
DEHYDROGENASE, CHAIN
A

(Rhodobacter
capsulatus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01799
(Fer2_2)
PF03450
(CO_deh_flav_C) 		3 PHE A 224
SER A 226
GLN A  69
 None
 1.00A 3smtA-1jroA:
0.0		 3smtA-1jroA:
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.
1nl3 PREPROTEIN
TRANSLOCASE SECA 1
SUBUNIT

(Mycobacterium
tuberculosis) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		3 PHE A 594
SER A 625
GLN A 629
 None
 0.96A 3smtA-1nl3A:
0.0		 3smtA-1nl3A:
20.54
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.
1o1j HEMOGLOBIN ALPHA
CHAIN

(Homo sapiens) 		PF00042
(Globin) 		3 PHE A  46
SER A  52
GLN A  54
 HEM  A 284 (-4.7A)
None
None
 0.85A 3smtA-1o1jA:
0.0		 3smtA-1o1jA:
20.95
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.
1o1j HEMOGLOBIN ALPHA
CHAIN

(Homo sapiens) 		PF00042
(Globin) 		3 PHE A 188
SER A 194
GLN A 196
 None
 0.80A 3smtA-1o1jA:
0.0		 3smtA-1o1jA:
20.95
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.
1pjb L-ALANINE
DEHYDROGENASE

(Phormidium
lapideum) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		3 PHE A  45
SER A  21
GLN A 310
 None
 0.95A 3smtA-1pjbA:
undetectable		 3smtA-1pjbA:
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.
1prs DEVELOPMENT-SPECIFIC
PROTEIN S

(Myxococcus
xanthus) 		PF00030
(Crystall) 		3 PHE A 101
SER A 130
GLN A 100
 None
CA  A 175 (-3.2A)
None
 1.00A 3smtA-1prsA:
0.0		 3smtA-1prsA:
15.73
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.
1rz2 CONSERVED
HYPOTHETICAL PROTEIN
BA4783

(Bacillus
anthracis) 		PF04203
(Sortase) 		3 PHE A 180
SER A 213
GLN A 210
 None
 0.94A 3smtA-1rz2A:
0.0		 3smtA-1rz2A:
19.15
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.
1s0h HEMOGLOBIN ALPHA
CHAIN

(Equus asinus) 		PF00042
(Globin) 		3 PHE A  46
SER A  52
GLN A  54
 None
 0.83A 3smtA-1s0hA:
undetectable		 3smtA-1s0hA:
15.91
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.
1sp8 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Zea mays) 		PF00903
(Glyoxalase) 		3 PHE A 327
SER A 320
GLN A 317
 None
 0.89A 3smtA-1sp8A:
undetectable		 3smtA-1sp8A:
21.87
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.
1suv TRANSFERRIN RECEPTOR
PROTEIN 1

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		3 PHE A 176
SER A 434
GLN A 431
 None
 0.90A 3smtA-1suvA:
undetectable		 3smtA-1suvA:
22.05
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.
1uik ALPHA PRIME SUBUNIT
OF BETA-CONGLYCININ

(Glycine max) 		PF00190
(Cupin_1) 		3 PHE A 150
SER A 178
GLN A 180
 None
 0.97A 3smtA-1uikA:
undetectable		 3smtA-1uikA:
19.77
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.
1wmu HEMOGLOBIN D ALPHA
CHAIN

(Aldabrachelys
gigantea) 		PF00042
(Globin) 		3 PHE A  46
SER A  52
GLN A  54
 HEM  A 201 (-4.5A)
None
None
 0.80A 3smtA-1wmuA:
1.7		 3smtA-1wmuA:
15.34
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.
1woj 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE

(Homo sapiens) 		PF05881
(CNPase) 		3 PHE A 262
SER A 283
GLN A 285
 PHE  A 262 ( 1.3A)
SER  A 283 ( 0.0A)
GLN  A 285 ( 0.6A)
 0.62A 3smtA-1wojA:
undetectable		 3smtA-1wojA:
18.55
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.
1x40 ARAP2

(Homo sapiens) 		PF00536
(SAM_1) 		3 PHE A  21
SER A  24
GLN A  70
 None
 0.91A 3smtA-1x40A:
undetectable		 3smtA-1x40A:
12.58
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.
2b7h HEMOGLOBIN ALPHA
CHAIN

(Cerdocyon thous) 		PF00042
(Globin) 		3 PHE A  46
SER A  52
GLN A  54
 HEM  A 200 (-4.6A)
None
None
 0.73A 3smtA-2b7hA:
1.2		 3smtA-2b7hA:
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.
2c1u DI-HAEM CYTOCHROME C
PEROXIDASE

(Paracoccus
pantotrophus) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		3 PHE A 228
SER A 291
GLN A 293
 HEC  A 402 (-4.5A)
None
None
 0.78A 3smtA-2c1uA:
undetectable		 3smtA-2c1uA:
21.09
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.
2c2n MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Homo sapiens) 		PF00698
(Acyl_transf_1) 		3 PHE A 233
SER A 117
GLN A  85
 None
 0.94A 3smtA-2c2nA:
undetectable		 3smtA-2c2nA:
21.97
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.
2knp MCOCC-1

(Momordica
cochinchinensis) 		no annotation 3 PHE A  10
SER A  12
GLN A   6
 None
 0.76A 3smtA-2knpA:
undetectable		 3smtA-2knpA:
6.58
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.
2l3o INTERLEUKIN 3

(Mus musculus) 		PF02059
(IL3) 		3 PHE A  81
SER A  84
GLN A  85
 None
 0.97A 3smtA-2l3oA:
undetectable		 3smtA-2l3oA:
14.79
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.
2qh5 MANNOSE-6-PHOSPHATE
ISOMERASE

(Helicobacter
pylori) 		PF00483
(NTP_transferase) 		3 PHE A  28
SER A  36
GLN A  27
 None
 0.99A 3smtA-2qh5A:
undetectable		 3smtA-2qh5A:
21.84
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.
2r05 PROGRAMMED CELL
DEATH 6-INTERACTING
PROTEIN

(Homo sapiens) 		PF03097
(BRO1)
PF13949
(ALIX_LYPXL_bnd) 		3 PHE A 663
SER A 423
GLN A 427
 None
 0.99A 3smtA-2r05A:
undetectable		 3smtA-2r05A:
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.
2r80 HEMOGLOBIN SUBUNIT
ALPHA-A

(Columba livia) 		PF00042
(Globin) 		3 PHE A  46
SER A  52
GLN A  54
 HEM  A 150 ( 4.9A)
None
None
 0.73A 3smtA-2r80A:
1.2		 3smtA-2r80A:
15.35
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.
2rij PUTATIVE
2,3,4,5-TETRAHYDROPY
RIDINE-2-CARBOXYLATE
N-
SUCCINYLTRANSFERASE

(Campylobacter
jejuni) 		PF14602
(Hexapep_2)
PF14789
(THDPS_M)
PF14790
(THDPS_N) 		3 PHE A  80
SER A 124
GLN A  82
 None
 0.99A 3smtA-2rijA:
undetectable		 3smtA-2rijA:
21.80
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		3 PHE G1976
SER G1808
GLN G1669
 None
 0.88A 3smtA-2uv8G:
undetectable		 3smtA-2uv8G:
12.76
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.
2vro ALDEHYDE
DEHYDROGENASE

(Paraburkholderia
xenovorans) 		PF00171
(Aldedh) 		3 PHE A 158
SER A 340
GLN A 343
 NDP  A1523 ( 4.6A)
None
NDP  A1523 ( 4.6A)
 0.92A 3smtA-2vroA:
undetectable		 3smtA-2vroA:
21.24
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.
2wyh ALPHA-MANNOSIDASE

(Streptococcus
pyogenes) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		3 PHE A 725
SER A 723
GLN A 792
 None
 0.88A 3smtA-2wyhA:
undetectable		 3smtA-2wyhA:
19.29
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.
2xst LIPOCALIN 15

(Homo sapiens) 		PF00061
(Lipocalin) 		3 PHE A 119
SER A 146
GLN A 148
 None
 0.33A 3smtA-2xstA:
undetectable		 3smtA-2xstA:
15.53
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.
2zfb HEMOGLOBIN SUBUNIT
ALPHA

(Psittacula
krameri) 		PF00042
(Globin) 		3 PHE A  46
SER A  52
GLN A  54
 HEM  A 150 (-4.6A)
None
None
 0.76A 3smtA-2zfbA:
1.4		 3smtA-2zfbA:
16.53
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.
2zws NEUTRAL CERAMIDASE

(Pseudomonas
aeruginosa) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		3 PHE A 201
SER A 199
GLN A 276
 None
 0.97A 3smtA-2zwsA:
undetectable		 3smtA-2zwsA:
21.46
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.
3at6 ALPHAA-GLOBIN

(Podocnemis
unifilis) 		PF00042
(Globin) 		3 PHE A  46
SER A  52
GLN A  54
 HEM  A 142 (-4.8A)
None
None
 0.88A 3smtA-3at6A:
undetectable		 3smtA-3at6A:
16.77
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.
3brt INHIBITOR OF NUCLEAR
FACTOR KAPPA-B
KINASE SUBUNIT
BETA,INHIBITOR OF
NUCLEAR FACTOR
KAPPA-B KINASE
SUBUNIT ALPHA
NF-KAPPA-B ESSENTIAL
MODULATOR

(Homo sapiens;
Homo sapiens) 		PF12179
(IKKbetaNEMObind)
PF11577
(NEMO) 		3 PHE B  82
SER B  85
GLN A 730
 None
 0.97A 3smtA-3brtB:
undetectable		 3smtA-3brtB:
10.50
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.
3cmv PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		3 PHE A1021
SER A1025
GLN A 124
 None
 0.96A 3smtA-3cmvA:
undetectable		 3smtA-3cmvA:
16.88
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.
3cmv PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		3 PHE A2021
SER A2025
GLN A1124
 None
 0.96A 3smtA-3cmvA:
undetectable		 3smtA-3cmvA:
16.88
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.
3cmv PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		3 PHE A3021
SER A3025
GLN A2124
 None
 0.96A 3smtA-3cmvA:
undetectable		 3smtA-3cmvA:
16.88
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.
3d1a HEMOGLOBIN SUBUNIT
ALPHA-1/2

(Capra hircus) 		PF00042
(Globin) 		3 PHE A  46
SER A  52
GLN A  54
 HEM  A 142 (-4.6A)
None
None
 0.85A 3smtA-3d1aA:
undetectable		 3smtA-3d1aA:
14.23
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.
3fh9 HEMOGLOBIN ALPHA
CHAIN

(Pteropus
giganteus) 		PF00042
(Globin) 		3 PHE A  46
SER A  52
GLN A  54
 None
 0.81A 3smtA-3fh9A:
undetectable		 3smtA-3fh9A:
16.09
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.
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		3 PHE A 162
SER A 322
GLN A 327
 None
 0.82A 3smtA-3gdnA:
undetectable		 3smtA-3gdnA:
20.86
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.
3gqp HEMOGLOBIN SUBUNIT
ALPHA

(Felis catus) 		PF00042
(Globin) 		3 PHE A  46
SER A  52
GLN A  54
 HEM  A 143 (-4.7A)
None
None
 0.88A 3smtA-3gqpA:
undetectable		 3smtA-3gqpA:
13.71
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.
3h1s SUPEROXIDE DISMUTASE

(Francisella
tularensis) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		3 PHE A 190
SER A  89
GLN A  91
 None
 0.75A 3smtA-3h1sA:
undetectable		 3smtA-3h1sA:
17.28
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.
3hri HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
brucei) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		3 PHE A 301
SER A 201
GLN A 195
 None
 0.96A 3smtA-3hriA:
undetectable		 3smtA-3hriA:
22.24
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.
3l2p DNA LIGASE 3

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		3 PHE A 270
SER A 274
GLN A 273
 None
 0.96A 3smtA-3l2pA:
undetectable		 3smtA-3l2pA:
21.41
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.
3m6x RRNA METHYLASE

(Thermus
thermophilus) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI) 		3 PHE A  64
SER A  50
GLN A  47
 None
 0.84A 3smtA-3m6xA:
undetectable		 3smtA-3m6xA:
21.15
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.
3ryk DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE

(Bacillus
anthracis) 		PF00908
(dTDP_sugar_isom) 		3 PHE A   8
SER A  92
GLN A  97
 None
 1.00A 3smtA-3rykA:
undetectable		 3smtA-3rykA:
17.17
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.
3s6c BETA-2-MICROGLOBULIN
, T-CELL SURFACE
GLYCOPROTEIN CD1E,
MEMBRANE-ASSOCIATED

(Homo sapiens) 		PF07654
(C1-set)
PF16497
(MHC_I_3) 		3 PHE A  70
SER A  12
GLN A  10
 None
 0.93A 3smtA-3s6cA:
undetectable		 3smtA-3s6cA:
20.82
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.
3s6c BETA-2-MICROGLOBULIN
, T-CELL SURFACE
GLYCOPROTEIN CD1E,
MEMBRANE-ASSOCIATED

(Homo sapiens) 		PF07654
(C1-set)
PF16497
(MHC_I_3) 		3 PHE A  70
SER A  22
GLN A  10
 None
 0.82A 3smtA-3s6cA:
undetectable		 3smtA-3s6cA:
20.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		3 PHE A 367
SER A 377
GLN A 379
 None
ACT  A 500 (-2.7A)
ACT  A 500 (-4.1A)
 0.02A 3smtA-3smtA:
57.8		 3smtA-3smtA:
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.
3tc1 OCTAPRENYL
PYROPHOSPHATE
SYNTHASE

(Helicobacter
pylori) 		PF00348
(polyprenyl_synt) 		3 PHE A 166
SER A  73
GLN A  70
 None
 0.88A 3smtA-3tc1A:
0.1		 3smtA-3tc1A:
23.26
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.
3v8b PUTATIVE
DEHYDROGENASE,
POSSIBLY
3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		3 PHE A  80
SER A   5
GLN A  55
 None
 0.75A 3smtA-3v8bA:
undetectable		 3smtA-3v8bA:
20.83
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.
4ain GLYCINE BETAINE
TRANSPORTER BETP

(Corynebacterium
glutamicum) 		PF02028
(BCCT) 		3 PHE A 136
SER A 140
GLN A 303
 None
 0.94A 3smtA-4ainA:
undetectable		 3smtA-4ainA:
22.63
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.
4aiv PROBABLE NITRITE
REDUCTASE [NAD(P)H]
SMALL SUBUNIT NIRD

(Mycobacterium
tuberculosis) 		PF13806
(Rieske_2) 		3 PHE A  54
SER A  76
GLN A  81
 None
 0.92A 3smtA-4aivA:
undetectable		 3smtA-4aivA:
14.86
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.
4b3w CYTOGLOBIN

(Homo sapiens) 		PF00042
(Globin) 		3 PHE A  63
SER A  75
GLN A  77
 None
 0.94A 3smtA-4b3wA:
undetectable		 3smtA-4b3wA:
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.
4bg2 PATF

(Prochloron
didemni) 		no annotation 3 PHE A  19
SER A  53
GLN A 303
 None
 1.00A 3smtA-4bg2A:
undetectable		 3smtA-4bg2A:
22.87
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.
4bm1 MANGANESE PEROXIDASE
4

(Pleurotus
ostreatus) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		3 PHE A 233
SER A 227
GLN A 224
 None
 0.85A 3smtA-4bm1A:
undetectable		 3smtA-4bm1A:
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.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		3 PHE A 412
SER A 124
GLN A 121
 None
 0.99A 3smtA-4c7vA:
undetectable		 3smtA-4c7vA:
21.02
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.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1

(Caenorhabditis
elegans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		3 PHE A 920
SER A 982
GLN A 979
 None
 0.91A 3smtA-4f4cA:
undetectable		 3smtA-4f4cA:
15.96
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.
4f99 PROTEIN DBF4 HOMOLOG
A

(Homo sapiens) 		PF07535
(zf-DBF) 		3 PHE B 318
SER B 321
GLN B 323
 None
 0.91A 3smtA-4f99B:
undetectable		 3smtA-4f99B:
15.20
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.
4gxb SORTING NEXIN-17

(Homo sapiens) 		no annotation 3 PHE A 274
SER A 366
GLN A 368
 None
 0.84A 3smtA-4gxbA:
undetectable		 3smtA-4gxbA:
21.07
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.
4h2l ALPHA-GLOBIN

(Peromyscus
maniculatus) 		PF00042
(Globin) 		3 PHE A  46
SER A  52
GLN A  54
 None
 0.75A 3smtA-4h2lA:
undetectable		 3smtA-4h2lA:
16.32
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.
4m8s PUTATIVE
3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Neisseria
meningitidis) 		PF13561
(adh_short_C2) 		3 PHE A 225
SER A 228
GLN A 230
 None
 0.88A 3smtA-4m8sA:
undetectable		 3smtA-4m8sA:
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.
4mca GLYCEROL
DEHYDROGENASE

(Serratia
plymuthica) 		PF00465
(Fe-ADH) 		3 PHE A 177
SER A 288
GLN A 292
 None
 0.94A 3smtA-4mcaA:
undetectable		 3smtA-4mcaA:
20.96
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.
4me2 UNCHARACTERIZED
PROTEIN

(Brachypodium
distachyon) 		no annotation 3 PHE A 124
SER A 127
GLN A  93
 None
 0.74A 3smtA-4me2A:
undetectable		 3smtA-4me2A:
20.94
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.
4mz0 CURL

(Moorea
producens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		3 PHE A 784
SER A 680
GLN A 652
 None
 0.97A 3smtA-4mz0A:
undetectable		 3smtA-4mz0A:
20.40
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.
4n5c CARGO-TRANSPORT
PROTEIN YPP1

(Saccharomyces
cerevisiae) 		no annotation 3 PHE A 370
SER A 336
GLN A 317
 None
 0.90A 3smtA-4n5cA:
undetectable		 3smtA-4n5cA:
21.80
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.
4nu3 ICE-BINDING PROTEIN

(Flavobacterium
frigoris) 		PF11999
(DUF3494) 		3 PHE A  79
SER A  92
GLN A  94
 None
 1.00A 3smtA-4nu3A:
undetectable		 3smtA-4nu3A:
18.99
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.
4o2t UNCHARACTERIZED
PROTEIN

(Parabacteroides
distasonis) 		PF16109
(DUF4827) 		3 PHE A 186
SER A  79
GLN A  81
 None
 0.87A 3smtA-4o2tA:
undetectable		 3smtA-4o2tA:
16.33
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.
4oe6 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00171
(Aldedh) 		3 PHE A 439
SER A 435
GLN A 436
 None
 0.91A 3smtA-4oe6A:
undetectable		 3smtA-4oe6A:
22.81
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.
4p7h MYOSIN-7,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Homo sapiens) 		PF00063
(Myosin_head)
PF01353
(GFP)
PF02736
(Myosin_N) 		3 PHE A 871
SER A 859
GLN A 856
 None
None
CRO  A 853 ( 2.9A)
 0.87A 3smtA-4p7hA:
undetectable		 3smtA-4p7hA:
18.68
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.
4q1v PUTATIVE DIPEPTIDYL
AMINOPEPTIDASE IV

(Bacteroides
ovatus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		3 PHE A 407
SER A 417
GLN A 418
 None
 0.97A 3smtA-4q1vA:
undetectable		 3smtA-4q1vA:
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.
4qkg C-TYPE LECTIN DOMAIN
FAMILY 2 MEMBER D

(Homo sapiens) 		PF00059
(Lectin_C) 		3 PHE A  82
SER A 115
GLN A 117
 None
 0.74A 3smtA-4qkgA:
undetectable		 3smtA-4qkgA:
15.75
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.
4qqv INTERLEUKIN-3
RECEPTOR CLASS 2
SUBUNIT BETA

(Mus musculus) 		PF09240
(IL6Ra-bind)
PF09294
(Interfer-bind) 		3 PHE A 233
SER A 243
GLN A 231
 None
 0.91A 3smtA-4qqvA:
undetectable		 3smtA-4qqvA:
21.95
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.
4rm7 ACYL-COA
DEHYDROGENASE

(Slackia
heliotrinireducens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		3 PHE A 100
SER A 228
GLN A 234
 None
 0.94A 3smtA-4rm7A:
undetectable		 3smtA-4rm7A:
24.00
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.
4uer EIF3C

(Lachancea
kluyveri) 		PF00189
(Ribosomal_S3_C)
PF07650
(KH_2) 		3 PHE c 304
SER c 307
GLN c 313
 None
 1.00A 3smtA-4uerc:
undetectable		 3smtA-4uerc:
21.76
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.
4uop LIPOTEICHOIC ACID
PRIMASE

(Listeria
monocytogenes) 		PF00884
(Sulfatase) 		3 PHE A 271
SER A 267
GLN A 269
 None
 0.95A 3smtA-4uopA:
undetectable		 3smtA-4uopA:
22.22
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.
4v2x ENDO-BETA-1,4-GLUCAN
ASE (CELLULASE B)

(Bacillus
halodurans) 		PF00150
(Cellulase)
PF03442
(CBM_X2) 		3 PHE A 372
SER A 482
GLN A 310
 None
 1.00A 3smtA-4v2xA:
undetectable		 3smtA-4v2xA:
20.49
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.
4xpu ENDONUCLEASE V

(Escherichia
coli) 		PF04493
(Endonuclease_5) 		3 PHE A  77
SER A  79
GLN A  10
 None
 0.96A 3smtA-4xpuA:
undetectable		 3smtA-4xpuA:
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.
4xr7 PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Saccharomyces
cerevisiae) 		no annotation 3 PHE G 625
SER G 628
GLN G 629
 None
 0.89A 3smtA-4xr7G:
undetectable		 3smtA-4xr7G:
21.54
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.
4yu4 HEMOGLOBIN

(Helogale
parvula) 		PF00042
(Globin) 		3 PHE A  46
SER A  52
GLN A  54
 HEM  A 201 ( 4.9A)
None
None
 0.84A 3smtA-4yu4A:
undetectable		 3smtA-4yu4A:
16.12
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.
5aem TRANSCRIPTION FACTOR
TAU 131 KDA SUBUNIT

(Saccharomyces
cerevisiae) 		PF13181
(TPR_8)
PF13432
(TPR_16) 		3 PHE A 186
SER A 206
GLN A 214
 None
 0.99A 3smtA-5aemA:
undetectable		 3smtA-5aemA:
23.71
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.
5cyr RNA-DEPENDENT RNA
POLYMERASE

(Thosea asigna
virus) 		no annotation 3 PHE B 464
SER B 466
GLN B 461
 None
 0.79A 3smtA-5cyrB:
undetectable		 3smtA-5cyrB:
20.03
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.
5fby SEPARASE
CLEAVED PEPTIDE

(Chaetomium
thermophilum;
synthetic
construct) 		PF03568
(Peptidase_C50)
no annotation 		3 PHE A1695
SER B  11
GLN B  12
 None
 0.85A 3smtA-5fbyA:
undetectable		 3smtA-5fbyA:
21.63
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.
5flz TUBULIN GAMMA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		3 PHE C  20
SER C 232
GLN C 229
 None
 0.94A 3smtA-5flzC:
undetectable		 3smtA-5flzC:
23.50
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.
5foe GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
2,THROMBOSPONDIN-1

(Caenorhabditis
elegans;
Homo sapiens) 		PF00090
(TSP_1)
PF10250
(O-FucT) 		3 PHE A 206
SER A 209
GLN A 130
 None
 0.77A 3smtA-5foeA:
undetectable		 3smtA-5foeA:
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.
5hb0 NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		no annotation 3 PHE B1057
SER B1097
GLN B1100
 None
 0.98A 3smtA-5hb0B:
undetectable		 3smtA-5hb0B:
21.42
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.
5hiu GTPASE
ACTIVATOR-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF11864
(DUF3384) 		3 PHE A 359
SER A 324
GLN A 320
 PHE  A 359 ( 1.3A)
SER  A 324 ( 0.0A)
GLN  A 320 ( 0.6A)
 0.85A 3smtA-5hiuA:
undetectable		 3smtA-5hiuA:
22.26
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.
5j90 RAGB/SUSD DOMAIN
PROTEIN

(Flavobacterium
johnsoniae) 		PF12741
(SusD-like) 		3 PHE A 333
SER A 308
GLN A 310
 None
 0.84A 3smtA-5j90A:
undetectable		 3smtA-5j90A:
23.18
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.
5klh SURFACE GLYCOPROTEIN

(Trypanosoma
brucei) 		no annotation 3 PHE A 133
SER A 136
GLN A 139
 None
 1.00A 3smtA-5klhA:
undetectable		 3smtA-5klhA:
19.28
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.
5ldf GLUTAMINE SYNTHETASE

(Salmonella
enterica) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		3 PHE A 282
SER A 291
GLN A 293
 None
 0.82A 3smtA-5ldfA:
undetectable		 3smtA-5ldfA:
20.90
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.
5mhf MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Mus musculus) 		no annotation 3 PHE A 149
SER A 393
GLN A 389
 MLY  A 366 ( 4.8A)
None
None
 0.83A 3smtA-5mhfA:
undetectable		 3smtA-5mhfA:
undetectable
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.
5n5z RNA POLYMERASE
I-SPECIFIC
TRANSCRIPTION
INITIATION FACTOR
RRN3

(Saccharomyces
cerevisiae) 		PF05327
(RRN3) 		3 PHE O  55
SER O  58
GLN O  70
 None
 0.81A 3smtA-5n5zO:
undetectable		 3smtA-5n5zO:
21.33
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.
5osh VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 29

(Homo sapiens) 		no annotation 3 PHE A 119
SER A 149
GLN A 166
 None
 0.99A 3smtA-5oshA:
undetectable		 3smtA-5oshA:
undetectable
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.
5uow N-METHYL-D-ASPARTATE
RECEPTOR SUBUNIT
NR1-8A

(Xenopus laevis) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		3 PHE A 736
SER A 739
GLN A 794
 None
 0.89A 3smtA-5uowA:
undetectable		 3smtA-5uowA:
19.98
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.
5wog HEMOGLOBIN SUBUNIT
ALPHA

(Homo sapiens) 		no annotation 3 PHE A  46
SER A  52
GLN A  54
 HEM  A 201 ( 4.9A)
None
None
 0.83A 3smtA-5wogA:
undetectable		 3smtA-5wogA:
undetectable
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.
5wti CRISPR-ASSOCIATED
PROTEIN

(Bacillus
thermoamylovorans) 		no annotation 3 PHE Z   6
SER Z 447
GLN Z 449
 None
G  B  42 ( 3.2A)
C  B 102 ( 3.7A)
 0.66A 3smtA-5wtiZ:
undetectable		 3smtA-5wtiZ:
17.82
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.
6avo PROTEASOME SUBUNIT
BETA TYPE-9

(Homo sapiens) 		no annotation 3 PHE A  31
SER A  35
GLN A  53
 None
 0.96A 3smtA-6avoA:
undetectable		 3smtA-6avoA:
undetectable
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.
6cf6 TANKYRASE-1

(Mus musculus) 		no annotation 3 PHE A 618
SER A 614
GLN A 616
 None
 0.86A 3smtA-6cf6A:
undetectable		 3smtA-6cf6A:
undetectable