SIMILAR PATTERNS OF AMINO ACIDS FOR 3THR_A_C2FA1100_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a3g BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Escherichia
coli) 		PF01063
(Aminotran_4) 		3 LEU A  60
HIS A  61
MET A  57
 None
 0.89A 3thrD-1a3gA:
undetectable		 3thrD-1a3gA:
21.64
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.
1cv8 STAPHOPAIN

(Staphylococcus
aureus) 		PF05543
(Peptidase_C47) 		3 LEU A  51
HIS A  52
MET A  48
 None
E64  A 176 (-4.4A)
None
 0.95A 3thrD-1cv8A:
undetectable		 3thrD-1cv8A:
19.52
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.
1dms DMSO REDUCTASE

(Rhodobacter
capsulatus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		3 LEU A 279
HIS A 252
MET A 280
 None
 0.84A 3thrD-1dmsA:
undetectable		 3thrD-1dmsA:
17.91
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.
1idt MINOR FMN-DEPENDENT
NITROREDUCTASE

(Escherichia
coli) 		PF00881
(Nitroreductase) 		3 LEU A 132
HIS A 128
MET A 127
 None
 0.96A 3thrD-1idtA:
undetectable		 3thrD-1idtA:
23.53
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.
1iqr PHOTOLYASE

(Thermus
thermophilus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		3 LEU A 302
HIS A 303
MET A 299
 None
 0.62A 3thrD-1iqrA:
undetectable		 3thrD-1iqrA:
22.02
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.
1j0h NEOPULLULANASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		3 LEU A  39
HIS A  41
MET A  57
 None
 0.83A 3thrD-1j0hA:
undetectable		 3thrD-1j0hA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kqo NICOTINAMIDE
MONONUCLEOTIDE
ADENYLYL TRANSFERASE

(Homo sapiens) 		PF01467
(CTP_transf_like) 		3 LEU A  27
HIS A  24
MET A  23
 DND  A 301 (-4.0A)
DND  A 301 ( 4.7A)
DND  A 301 (-3.2A)
 0.94A 3thrD-1kqoA:
undetectable		 3thrD-1kqoA:
21.65
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.
1lwh 4-ALPHA-GLUCANOTRANS
FERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09178
(DUF1945) 		3 LEU A 175
HIS A 174
MET A 178
 None
 0.86A 3thrD-1lwhA:
undetectable		 3thrD-1lwhA:
20.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		3 LEU A 207
HIS A 214
MET A 215
 None
 0.16A 3thrD-1r8yA:
43.2		 3thrD-1r8yA:
95.55
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.
1skx ORPHAN NUCLEAR
RECEPTOR PXR

(Homo sapiens) 		PF00104
(Hormone_recep) 		3 LEU A 239
HIS A 242
MET A 243
 None
None
RFP  A   1 (-3.5A)
 0.61A 3thrD-1skxA:
undetectable		 3thrD-1skxA:
20.48
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.
1tnd TRANSDUCIN

(Bos taurus) 		PF00503
(G-alpha) 		3 LEU A 243
HIS A 240
MET A 239
 None
 0.57A 3thrD-1tndA:
3.4		 3thrD-1tndA:
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.
1vek UBIQUITIN-SPECIFIC
PROTEASE 14,
PUTATIVE

(Arabidopsis
thaliana) 		PF00627
(UBA) 		3 LEU A  65
HIS A  45
MET A  69
 None
 0.85A 3thrD-1vekA:
undetectable		 3thrD-1vekA:
14.33
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.
1vl2 ARGININOSUCCINATE
SYNTHASE

(Thermotoga
maritima) 		PF00764
(Arginosuc_synth) 		3 LEU A 307
HIS A 306
MET A 310
 None
 0.71A 3thrD-1vl2A:
undetectable		 3thrD-1vl2A:
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.
1wps HUT OPERON POSITIVE
REGULATORY PROTEIN

(Bacillus
subtilis) 		PF09021
(HutP) 		3 LEU A  83
HIS A  84
MET A  80
 None
 0.76A 3thrD-1wpsA:
undetectable		 3thrD-1wpsA:
19.18
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.
1xhe AEROBIC RESPIRATION
CONTROL PROTEIN ARCA

(Escherichia
coli) 		PF00072
(Response_reg) 		3 LEU A  43
HIS A  40
MET A  39
 None
 0.95A 3thrD-1xheA:
3.0		 3thrD-1xheA:
17.79
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.
1zrz PROTEIN KINASE C,
IOTA

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		3 LEU A 331
HIS A 334
MET A 335
 None
 0.59A 3thrD-1zrzA:
undetectable		 3thrD-1zrzA:
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.
2aaf ARGININE DEIMINASE

(Pseudomonas
aeruginosa) 		PF02274
(Amidinotransf) 		3 LEU A  76
HIS A  73
MET A  72
 None
 0.50A 3thrD-2aafA:
undetectable		 3thrD-2aafA:
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.
2e2a PROTEIN (ENZYME IIA)

(Lactococcus
lactis) 		PF02255
(PTS_IIA) 		3 LEU A  81
HIS A  78
MET A  77
 None
 0.95A 3thrD-2e2aA:
undetectable		 3thrD-2e2aA:
16.16
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.
2e72 POGO TRANSPOSABLE
ELEMENT WITH ZNF
DOMAIN

(Homo sapiens) 		no annotation 3 LEU A 390
HIS A 393
MET A 394
 None
ZN  A 201 (-3.3A)
ZN  A 201 ( 4.6A)
 0.65A 3thrD-2e72A:
undetectable		 3thrD-2e72A:
8.42
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.
2hk3 DIPHOSPHOMEVALONATE
DECARBOXYLASE

(Staphylococcus
aureus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		3 LEU A1002
HIS A1000
MET A1001
 None
 0.89A 3thrD-2hk3A:
undetectable		 3thrD-2hk3A:
21.45
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.
2iaf HYPOTHETICAL PROTEIN
SDHL

(Legionella
pneumophila) 		PF03315
(SDH_beta) 		3 LEU A  79
HIS A  76
MET A  75
 None
 0.81A 3thrD-2iafA:
undetectable		 3thrD-2iafA:
17.47
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.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		3 LEU A 330
HIS A 171
MET A 170
 LEU  A 330 ( 0.6A)
HIS  A 171 ( 1.0A)
ILE  A 167 ( 3.7A)
 0.90A 3thrD-2nvvA:
2.1		 3thrD-2nvvA:
18.88
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.
2oqt HYPOTHETICAL PROTEIN
SPY0176

(Streptococcus
pyogenes) 		PF00359
(PTS_EIIA_2) 		3 LEU A 103
HIS A  68
MET A  66
 None
 0.79A 3thrD-2oqtA:
undetectable		 3thrD-2oqtA:
21.43
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.
2p12 HYPOTHETICAL PROTEIN
DUF402

(Rhodococcus
jostii) 		PF04167
(DUF402) 		3 LEU A 123
HIS A 127
MET A 124
 None
 0.95A 3thrD-2p12A:
undetectable		 3thrD-2p12A:
21.85
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.
2p4o HYPOTHETICAL PROTEIN

(Nostoc
punctiforme) 		no annotation 3 LEU A 158
HIS A 155
MET A 157
 None
 0.90A 3thrD-2p4oA:
undetectable		 3thrD-2p4oA:
22.56
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.
2pmi CYCLIN-DEPENDENT
PROTEIN KINASE PHO85

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		3 LEU A 274
HIS A 275
MET A 271
 None
 0.65A 3thrD-2pmiA:
undetectable		 3thrD-2pmiA:
20.73
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.
2q0o PROBABLE
TRANSCRIPTIONAL
ACTIVATOR PROTEIN
TRAR

(Sinorhizobium
fredii) 		PF00196
(GerE)
PF03472
(Autoind_bind) 		3 LEU A 154
HIS A 158
MET A 155
 None
 0.95A 3thrD-2q0oA:
undetectable		 3thrD-2q0oA:
21.82
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.
2q2e TYPE 2 DNA
TOPOISOMERASE 6
SUBUNIT B

(Methanosarcina
mazei) 		PF02518
(HATPase_c)
PF09239
(Topo-VIb_trans) 		3 LEU B 161
HIS B 131
MET B 150
 None
 0.94A 3thrD-2q2eB:
undetectable		 3thrD-2q2eB:
18.11
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.
2qa2 POLYKETIDE OXYGENASE
CABE

(Streptomyces) 		PF01494
(FAD_binding_3) 		3 LEU A 366
HIS A 365
MET A 369
 None
 0.64A 3thrD-2qa2A:
2.4		 3thrD-2qa2A:
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.
2r1h HEMOGLOBIN SUBUNIT
BETA-4

(Oncorhynchus
mykiss) 		PF00042
(Globin) 		3 LEU B  96
HIS B  92
MET B  91
 HEM  B 148 (-4.2A)
HEM  B 148 (-3.4A)
HEM  B 148 (-3.7A)
 0.94A 3thrD-2r1hB:
undetectable		 3thrD-2r1hB:
20.21
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.
2rae TRANSCRIPTIONAL
REGULATOR, ACRR
FAMILY PROTEIN

(Rhodococcus
jostii) 		PF00440
(TetR_N) 		3 LEU A  73
HIS A  72
MET A  76
 None
 0.79A 3thrD-2raeA:
undetectable		 3thrD-2raeA:
22.08
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.
2y3a PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B) 		3 LEU A 740
HIS A 737
MET A 736
 None
 0.95A 3thrD-2y3aA:
undetectable		 3thrD-2y3aA:
14.59
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.
2ybx PHOSPHATIDYLINOSITOL
-5-PHOSPHATE
4-KINASE TYPE-2
ALPHA

(Homo sapiens) 		PF01504
(PIP5K) 		3 LEU A 159
HIS A 156
MET A 155
 None
 0.94A 3thrD-2ybxA:
undetectable		 3thrD-2ybxA:
21.29
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.
2zbw THIOREDOXIN
REDUCTASE

(Thermus
thermophilus) 		PF07992
(Pyr_redox_2) 		3 LEU A 197
HIS A 201
MET A 198
 None
 0.92A 3thrD-2zbwA:
2.9		 3thrD-2zbwA:
20.61
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.
2zzr UNSATURATED
GLUCURONYL HYDROLASE

(Streptococcus
agalactiae) 		PF07470
(Glyco_hydro_88) 		3 LEU A 340
HIS A 337
MET A 336
 None
 0.88A 3thrD-2zzrA:
undetectable		 3thrD-2zzrA:
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.
3bcq BETA-CHAIN
HEMOGLOBIN

(Brycon cephalus) 		PF00042
(Globin) 		3 LEU B  96
HIS B  92
MET B  91
 HEM  B 147 (-4.5A)
HEM  B 147 (-3.3A)
HEM  B 147 (-4.0A)
 0.91A 3thrD-3bcqB:
undetectable		 3thrD-3bcqB:
22.07
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.
3bh1 UPF0371 PROTEIN
DIP2346

(Corynebacterium
diphtheriae) 		PF08903
(DUF1846) 		3 LEU A 271
HIS A 197
MET A 272
 None
 0.92A 3thrD-3bh1A:
1.5		 3thrD-3bh1A:
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.
3bjv RMPA

(Streptococcus
mutans) 		PF00359
(PTS_EIIA_2) 		3 LEU A 103
HIS A  68
MET A  66
 None
 0.64A 3thrD-3bjvA:
undetectable		 3thrD-3bjvA:
18.95
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.
3c7k GUANINE
NUCLEOTIDE-BINDING
PROTEIN G(O) SUBUNIT
ALPHA

(Mus musculus) 		PF00503
(G-alpha) 		3 LEU A 248
HIS A 245
MET A 244
 None
 0.83A 3thrD-3c7kA:
3.2		 3thrD-3c7kA:
20.67
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.
3dip ENOLASE

(unidentified) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 LEU A 332
HIS A 333
MET A 329
 None
 0.73A 3thrD-3dipA:
undetectable		 3thrD-3dipA:
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.
3dqz ALPHA-HYDROXYNITRILE
LYASE-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF12697
(Abhydrolase_6) 		3 LEU A 146
HIS A 137
MET A 144
 None
 0.93A 3thrD-3dqzA:
undetectable		 3thrD-3dqzA:
24.51
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.
3dqz ALPHA-HYDROXYNITRILE
LYASE-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF12697
(Abhydrolase_6) 		3 LEU A 158
HIS A 236
MET A 237
 None
 0.87A 3thrD-3dqzA:
undetectable		 3thrD-3dqzA:
24.51
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.
3e8o UNCHARACTERIZED
PROTEIN WITH
FERREDOXIN-LIKE FOLD

(Deinococcus
radiodurans) 		PF03992
(ABM) 		3 LEU A  83
HIS A  80
MET A  79
 None
 0.79A 3thrD-3e8oA:
undetectable		 3thrD-3e8oA:
16.04
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.
3fna POSSIBLE ARABINOSE
5-PHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF00571
(CBS) 		3 LEU A 320
HIS A 319
MET A 254
 None
 0.95A 3thrD-3fnaA:
undetectable		 3thrD-3fnaA:
23.16
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.
3hzn OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE

(Salmonella
enterica) 		PF00881
(Nitroreductase) 		3 LEU A 132
HIS A 128
MET A 127
 None
 0.81A 3thrD-3hznA:
undetectable		 3thrD-3hznA:
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.
3k2v PUTATIVE D-ARABINOSE
5-PHOSPHATE
ISOMERASE

(Klebsiella
pneumoniae) 		PF00571
(CBS) 		3 LEU A 319
HIS A 318
MET A 253
 None
 0.96A 3thrD-3k2vA:
undetectable		 3thrD-3k2vA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kal HOMOGLUTATHIONE
SYNTHETASE

(Glycine max) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		3 LEU A 187
HIS A 188
MET A 184
 None
 0.75A 3thrD-3kalA:
2.6		 3thrD-3kalA:
20.97
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.
3owt DNA-BINDING PROTEIN
RAP1

(Saccharomyces
cerevisiae) 		PF11626
(Rap1_C) 		3 LEU A 720
HIS A 721
MET A 717
 None
 0.65A 3thrD-3owtA:
undetectable		 3thrD-3owtA:
19.24
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.
3oxp PHOSPHOTRANSFERASE
ENZYME II, A
COMPONENT

(Yersinia pestis) 		PF00359
(PTS_EIIA_2) 		3 LEU A 103
HIS A  66
MET A  64
 None
 0.83A 3thrD-3oxpA:
undetectable		 3thrD-3oxpA:
17.29
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.
3p7n SENSOR HISTIDINE
KINASE

(Erythrobacter
litoralis) 		PF00196
(GerE)
PF13426
(PAS_9) 		3 LEU A 200
HIS A 197
MET A 196
 None
 0.81A 3thrD-3p7nA:
undetectable		 3thrD-3p7nA:
21.79
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.
3s29 SUCROSE SYNTHASE 1

(Arabidopsis
thaliana) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		3 LEU A 184
HIS A 187
MET A 195
 None
 0.89A 3thrD-3s29A:
2.4		 3thrD-3s29A:
16.71
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.
3s5u PUTATIVE
UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF09711
(Cas_Csn2) 		3 LEU A 119
HIS A 115
MET A 117
 None
 0.93A 3thrD-3s5uA:
undetectable		 3thrD-3s5uA:
22.15
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.
3t6c PUTATIVE MAND FAMILY
DEHYDRATASE

(Pantoea
ananatis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 LEU A 343
HIS A 340
MET A 339
 None
 0.95A 3thrD-3t6cA:
undetectable		 3thrD-3t6cA:
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.
3v1v 2-METHYLISOBORNEOL
SYNTHASE

(Streptomyces
coelicolor) 		no annotation 3 LEU A 274
HIS A 275
MET A 271
 GST  A 511 (-4.6A)
None
None
 0.70A 3thrD-3v1vA:
undetectable		 3thrD-3v1vA:
19.63
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.
3v4b STARVATION SENSING
PROTEIN RSPA

(Cellvibrio
japonicus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 LEU A 232
HIS A 209
MET A 235
 None
 0.90A 3thrD-3v4bA:
undetectable		 3thrD-3v4bA:
21.14
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.
3vpo RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT M2

(Homo sapiens) 		PF00268
(Ribonuc_red_sm) 		3 LEU A 275
HIS A 279
MET A 276
 None
 0.96A 3thrD-3vpoA:
undetectable		 3thrD-3vpoA:
22.15
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.
3wdg URACIL-DNA
GLYCOSYLASE

(Staphylococcus
aureus) 		PF03167
(UDG) 		3 LEU A  23
HIS A  20
MET A  19
 None
 0.90A 3thrD-3wdgA:
undetectable		 3thrD-3wdgA:
22.15
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.
3x05 PHOSPHATIDYLINOSITOL
5-PHOSPHATE 4-KINASE
TYPE-2 BETA

(Homo sapiens) 		PF01504
(PIP5K) 		3 LEU A 164
HIS A 161
MET A 160
 None
AMP  A 502 (-3.4A)
None
 0.88A 3thrD-3x05A:
undetectable		 3thrD-3x05A:
21.36
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.
4bfr PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC S
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		3 LEU A 740
HIS A 737
MET A 736
 None
 0.87A 3thrD-4bfrA:
2.1		 3thrD-4bfrA:
15.78
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.
4e4f MANNONATE
DEHYDRATASE

(Pectobacterium
carotovorum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 LEU A 234
HIS A 211
MET A 237
 None
 0.83A 3thrD-4e4fA:
undetectable		 3thrD-4e4fA:
22.07
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.
4f0y AMINOGLYCOSIDE
N(6')-ACETYLTRANSFER
ASE TYPE 1

(Acinetobacter
haemolyticus) 		PF00583
(Acetyltransf_1) 		3 LEU A 129
HIS A 126
MET A 125
 None
 0.96A 3thrD-4f0yA:
undetectable		 3thrD-4f0yA:
20.41
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.
4fwb HALOALKANE
DEHALOGENASE

(Rhodococcus
rhodochrous) 		PF00561
(Abhydrolase_1) 		3 LEU A 229
HIS A 230
MET A 226
 None
 0.68A 3thrD-4fwbA:
1.7		 3thrD-4fwbA:
20.50
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.
4fzw 1,2-EPOXYPHENYLACETY
L-COA ISOMERASE

(Escherichia
coli) 		PF00378
(ECH_1) 		3 LEU C  35
HIS C  32
MET C  31
 None
 0.64A 3thrD-4fzwC:
undetectable		 3thrD-4fzwC:
23.58
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.
4jng NUCLEOCAPSID PROTEIN

(Sathuperi
orthobunyavirus) 		PF00952
(Bunya_nucleocap) 		3 LEU A 168
HIS A 165
MET A 164
 None
 0.96A 3thrD-4jngA:
undetectable		 3thrD-4jngA:
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.
4lw6 BETA-4-GALACTOSYLTRA
NSFERASE 7

(Drosophila
melanogaster) 		PF02709
(Glyco_transf_7C)
PF13733
(Glyco_transf_7N) 		3 LEU A  79
HIS A 108
MET A  77
 None
 0.96A 3thrD-4lw6A:
undetectable		 3thrD-4lw6A:
20.19
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.
4m0q MEMBRANE-ASSOCIATED
PROTEIN VP24

(Zaire
ebolavirus) 		PF06389
(Filo_VP24) 		3 LEU A  57
HIS A  58
MET A  54
 None
 0.93A 3thrD-4m0qA:
undetectable		 3thrD-4m0qA:
22.04
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.
4m69 RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 3

(Mus musculus) 		PF00069
(Pkinase) 		3 LEU A 132
HIS A 133
MET A 129
 None
 0.91A 3thrD-4m69A:
undetectable		 3thrD-4m69A:
20.64
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.
4m9e KRUEPPEL-LIKE FACTOR
4

(Mus musculus) 		PF00096
(zf-C2H2) 		3 LEU A 475
HIS A 478
MET A 479
 None
ZN  A 503 (-3.2A)
ZN  A 503 ( 4.8A)
 0.93A 3thrD-4m9eA:
undetectable		 3thrD-4m9eA:
15.33
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.
4o9k ARABINOSE
5-PHOSPHATE
ISOMERASE

(Methylococcus
capsulatus) 		PF00571
(CBS) 		3 LEU A 325
HIS A 322
MET A 321
 None
 0.96A 3thrD-4o9kA:
undetectable		 3thrD-4o9kA:
20.89
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.
4oli NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		3 LEU A1014
HIS A1015
MET A1011
 None
 0.61A 3thrD-4oliA:
undetectable		 3thrD-4oliA:
19.44
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.
4ot9 NUCLEAR FACTOR
NF-KAPPA-B P100
SUBUNIT

(Homo sapiens) 		PF12796
(Ank_2) 		3 LEU A 568
HIS A 565
MET A 564
 None
 0.94A 3thrD-4ot9A:
undetectable		 3thrD-4ot9A:
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.
4uir OLEATE HYDRATASE

(Elizabethkingia
meningoseptica) 		PF06100
(MCRA) 		3 LEU A 246
HIS A 243
MET A 242
 None
 0.95A 3thrD-4uirA:
undetectable		 3thrD-4uirA:
17.79
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.
4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		3 LEU A 577
HIS A 578
MET A 574
 None
 0.95A 3thrD-4yffA:
undetectable		 3thrD-4yffA:
23.40
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.
4zs8 HTH-TYPE
TRANSCRIPTIONAL
REPRESSOR DASR

(Streptomyces
coelicolor) 		PF00392
(GntR)
PF07702
(UTRA) 		3 LEU A  31
HIS A  30
MET A  34
 None
 0.62A 3thrD-4zs8A:
undetectable		 3thrD-4zs8A:
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.
5a9i SOLUTE CARRIER
FAMILY 15 MEMBER 2

(Rattus
norvegicus) 		no annotation 3 LEU A 490
HIS A 492
MET A 501
 None
 0.75A 3thrD-5a9iA:
undetectable		 3thrD-5a9iA:
22.90
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.
5ern FUSICOCCADIENE
SYNTHASE

(Diaporthe
amygdali) 		PF00348
(polyprenyl_synt) 		3 LEU A 302
HIS A 303
MET A 299
 None
 0.87A 3thrD-5ernA:
undetectable		 3thrD-5ernA:
19.90
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.
5ey8 ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		3 LEU A 227
HIS A 231
MET A 233
 None
5SV  A 701 (-4.0A)
5SV  A 701 ( 3.7A)
 0.90A 3thrD-5ey8A:
2.1		 3thrD-5ey8A:
19.31
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.
5ey9 LONG-CHAIN-FATTY-ACI
D--AMP LIGASE FADD32

(Mycobacterium
marinum) 		PF00501
(AMP-binding) 		3 LEU A 226
HIS A 230
MET A 232
 None
5SV  A 701 (-3.9A)
5SV  A 701 (-3.6A)
 0.93A 3thrD-5ey9A:
undetectable		 3thrD-5ey9A:
18.14
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.
5f1z NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		3 LEU A1014
HIS A1015
MET A1011
 None
 0.70A 3thrD-5f1zA:
undetectable		 3thrD-5f1zA:
22.39
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.
5fji BETA-GLUCOSIDASE

(Aspergillus
fumigatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		3 LEU A 231
HIS A 227
MET A 226
 None
 0.90A 3thrD-5fjiA:
2.5		 3thrD-5fjiA:
16.67
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.
5fjj BETA-GLUCOSIDASE

(Aspergillus
oryzae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		3 LEU A 231
HIS A 227
MET A 226
 None
 0.93A 3thrD-5fjjA:
undetectable		 3thrD-5fjjA:
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.
5ghs SSDNA-SPECIFIC
EXONUCLEASE

(Thermococcus
kodakarensis) 		PF02272
(DHHA1) 		3 LEU A  23
HIS A  20
MET A  19
 None
 0.85A 3thrD-5ghsA:
undetectable		 3thrD-5ghsA:
20.78
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.
5hes MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		3 LEU A 121
HIS A 122
MET A 118
 None
 0.96A 3thrD-5hesA:
undetectable		 3thrD-5hesA:
25.28
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.
5j8d OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE

(Enterobacter
cloacae) 		PF00881
(Nitroreductase) 		3 LEU A 132
HIS A 128
MET A 127
 None
 0.86A 3thrD-5j8dA:
undetectable		 3thrD-5j8dA:
23.89
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.
5jm6 AMINOPEPTIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF02127
(Peptidase_M18) 		3 LEU A 319
HIS A 320
MET A 316
 None
 0.90A 3thrD-5jm6A:
undetectable		 3thrD-5jm6A:
20.15
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.
5ju6 BETA-GLUCOSIDASE

(Rasamsonia
emersonii) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		3 LEU A 227
HIS A 223
MET A 222
 None
 0.95A 3thrD-5ju6A:
undetectable		 3thrD-5ju6A:
16.82
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4

(Bos taurus) 		PF00361
(Proton_antipo_M)
PF01059
(Oxidored_q5_N) 		3 LEU M 436
HIS M 440
MET M 437
 None
 0.89A 3thrD-5lc5M:
undetectable		 3thrD-5lc5M:
19.31
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.
5nbs BETA-GLUCOSIDASE

(Neurospora
crassa) 		no annotation 3 LEU A 226
HIS A 222
MET A 221
 None
 0.96A 3thrD-5nbsA:
undetectable		 3thrD-5nbsA:
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.
5tr1 CHLORIDE CHANNEL
PROTEIN

(Bos taurus) 		PF00654
(Voltage_CLC) 		3 LEU A 172
HIS A 171
MET A 175
 None
 0.88A 3thrD-5tr1A:
undetectable		 3thrD-5tr1A:
18.02
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.
5u1s SEPARIN

(Saccharomyces
cerevisiae) 		PF03568
(Peptidase_C50) 		3 LEU A1109
HIS A1112
MET A1113
 None
 0.90A 3thrD-5u1sA:
undetectable		 3thrD-5u1sA:
10.12
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.
5vhi 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 8

(Homo sapiens) 		PF00004
(AAA) 		3 LEU d  99
HIS d  96
MET d  95
 None
 0.91A 3thrD-5vhid:
undetectable		 3thrD-5vhid:
21.66
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.
5w81 CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Danio rerio) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R) 		3 LEU A 146
HIS A 147
MET A 143
 None
 0.65A 3thrD-5w81A:
undetectable		 3thrD-5w81A:
11.90
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.
5wnm RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 4

(Mus musculus) 		no annotation 3 LEU A 132
HIS A 133
MET A 129
 None
 0.95A 3thrD-5wnmA:
undetectable		 3thrD-5wnmA:
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.
5ybl MULTIFUNCTIONAL
DIOXYGENASE AUSE

(Aspergillus
nidulans) 		no annotation 3 LEU A  97
HIS A  94
MET A  93
 None
 0.89A 3thrD-5yblA:
undetectable		 3thrD-5yblA:
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.
5yef TRANSCRIPTIONAL
REPRESSOR CTCF

(Homo sapiens) 		no annotation 3 LEU A 394
HIS A 397
MET A 398
 None
ZN  A 503 (-3.2A)
None
 0.86A 3thrD-5yefA:
undetectable		 3thrD-5yefA:
20.20
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.
5ykh PUMILIO HOMOLOG 1

(Homo sapiens) 		no annotation 3 LEU A 245
HIS A 246
MET A 242
 None
 0.80A 3thrD-5ykhA:
undetectable		 3thrD-5ykhA:
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.
6c5b METHYLTRANSFERASE

(Lysobacter
antibioticus) 		no annotation 3 LEU A 294
HIS A 297
MET A 298
 None
 0.81A 3thrD-6c5bA:
13.2		 3thrD-6c5bA:
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.
6cfz DAM1

(Chaetomium
thermophilum) 		no annotation 3 LEU H  78
HIS H  75
MET H  74
 None
 0.84A 3thrD-6cfzH:
undetectable		 3thrD-6cfzH:
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.
6d6q EXOSOME COMPLEX
EXONUCLEASE RRP44

(Homo sapiens) 		no annotation 3 LEU K 160
HIS K 159
MET K 163
 None
ZN  K2002 (-2.9A)
None
 0.76A 3thrD-6d6qK:
undetectable		 3thrD-6d6qK:
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.
6g79 GUANINE
NUCLEOTIDE-BINDING
PROTEIN G(O) SUBUNIT
ALPHA

(Homo sapiens) 		no annotation 3 LEU A 238
HIS A 235
MET A 234
 None
 0.65A 3thrD-6g79A:
3.1		 3thrD-6g79A:
undetectable