SIMILAR PATTERNS OF AMINO ACIDS FOR 3THR_A_C2FA1100_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.
1aua PHOSPHATIDYLINOSITOL
TRANSFER PROTEIN
SEC14P

(Saccharomyces
cerevisiae) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		4 LEU A 169
HIS A 168
THR A  25
ARG A  63
 None
 1.21A 3thrB-1auaA:
0.0		 3thrB-1auaA:
21.74
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.
1cbg CYANOGENIC
BETA-GLUCOSIDASE

(Trifolium
repens) 		PF00232
(Glyco_hydro_1) 		4 LEU A 181
HIS A 230
THR A 252
ARG A  91
 None
 1.25A 3thrB-1cbgA:
1.0		 3thrB-1cbgA:
19.88
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.
1dnl PYRIDOXINE
5'-PHOSPHATE OXIDASE

(Escherichia
coli) 		PF01243
(Putative_PNPOx)
PF10590
(PNP_phzG_C) 		4 LEU A 174
HIS A 131
MET A 127
THR A 123
 None
 1.35A 3thrB-1dnlA:
0.0		 3thrB-1dnlA:
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.
1e12 HALORHODOPSIN

(Halobacterium
salinarum) 		PF01036
(Bac_rhodopsin) 		4 SER A 156
LEU A 158
HIS A  95
THR A 154
 None
 1.33A 3thrB-1e12A:
0.0		 3thrB-1e12A:
23.70
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.
1eu1 DIMETHYL SULFOXIDE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 LEU A 265
HIS A 260
MET A 343
THR A 339
 None
 1.28A 3thrB-1eu1A:
2.7		 3thrB-1eu1A:
17.72
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.
1f7c RHOGAP PROTEIN

(Gallus gallus) 		PF00620
(RhoGAP) 		4 SER A 259
LEU A 261
THR A 263
ARG A 266
 None
 1.48A 3thrB-1f7cA:
undetectable		 3thrB-1f7cA:
21.81
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.
1gm5 RECG

(Thermotoga
maritima) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF17190
(RecG_N)
PF17191
(RecG_wedge) 		4 SER A 427
LEU A 429
HIS A 433
THR A 478
 None
 1.45A 3thrB-1gm5A:
4.1		 3thrB-1gm5A:
17.39
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.
1gnx BETA-GLUCOSIDASE

(Streptomyces
sp.) 		PF00232
(Glyco_hydro_1) 		4 LEU A 176
HIS A 213
THR A 233
ARG A  89
 None
 1.30A 3thrB-1gnxA:
1.0		 3thrB-1gnxA:
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.
1gwi CYTOCHROME P450
154C1

(Streptomyces
coelicolor) 		PF00067
(p450) 		4 LEU A 103
HIS A 100
MET A  92
THR A 235
 None
HEM  A1414 (-3.9A)
HEM  A1414 (-3.7A)
None
 1.29A 3thrB-1gwiA:
0.0		 3thrB-1gwiA:
23.28
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.
1izc MACROPHOMATE
SYNTHASE
INTERMOLECULAR
DIELS-ALDERASE

(Macrophoma
commelinae) 		PF03328
(HpcH_HpaI) 		4 SER A 111
HIS A  86
THR A 112
ARG A  78
 None
 1.33A 3thrB-1izcA:
0.7		 3thrB-1izcA:
20.33
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.
1jv4 MAJOR URINARY
PROTEIN 2

(Mus musculus) 		PF00061
(Lipocalin) 		4 SER A  65
LEU A  67
THR A  58
ARG A  60
 None
 1.35A 3thrB-1jv4A:
undetectable		 3thrB-1jv4A:
19.93
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.
1n97 CYP175A1

(Thermus
thermophilus) 		PF00067
(p450) 		4 SER A 228
LEU A 133
HIS A 130
THR A 231
 None
EDO  A 718 (-3.8A)
None
None
 1.44A 3thrB-1n97A:
undetectable		 3thrB-1n97A:
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.
1nyo IMMUNOGENIC PROTEIN
MPT70

(Mycobacterium
tuberculosis) 		PF02469
(Fasciclin) 		4 SER A  48
LEU A  98
HIS A 101
THR A  44
 None
 1.45A 3thrB-1nyoA:
undetectable		 3thrB-1nyoA:
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.
1odo PUTATIVE CYTOCHROME
P450 154A1

(Streptomyces
coelicolor) 		PF00067
(p450) 		4 LEU A  98
HIS A  95
MET A  87
THR A 235
 None
HEM  A1407 (-3.8A)
HEM  A1407 (-3.6A)
None
 1.42A 3thrB-1odoA:
undetectable		 3thrB-1odoA:
21.34
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.
1pzn DNA REPAIR AND
RECOMBINATION
PROTEIN RAD51

(Pyrococcus
furiosus) 		PF08423
(Rad51)
PF14520
(HHH_5) 		4 LEU A 305
HIS A 307
THR A 241
ARG A 245
 None
 1.19A 3thrB-1pznA:
undetectable		 3thrB-1pznA:
22.52
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) 		6 SER A 205
LEU A 207
HIS A 214
MET A 215
THR A 217
ARG A 239
 None
 0.26A 3thrB-1r8yA:
41.3		 3thrB-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.
1rvk ISOMERASE/LACTONIZIN
G ENZYME

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 350
LEU A 367
MET A 314
THR A 312
 None
 1.30A 3thrB-1rvkA:
undetectable		 3thrB-1rvkA:
24.24
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.
1sp3 CYTOCHROME C,
PUTATIVE

(Shewanella
oneidensis) 		PF11783
(Cytochrome_cB)
PF13435
(Cytochrome_C554) 		4 HIS A 332
MET A 394
THR A 313
ARG A  54
 None
HEM  A 802 ( 4.9A)
None
HEM  A 802 ( 4.8A)
 1.15A 3thrB-1sp3A:
undetectable		 3thrB-1sp3A:
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.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA
ORPHAN NUCLEAR
RECEPTOR NR1I3

(Homo sapiens;
Mus musculus) 		PF00104
(Hormone_recep)
PF00104
(Hormone_recep) 		4 SER A 355
LEU A 353
THR A 351
ARG E 288
 None
 1.03A 3thrB-1xlsA:
undetectable		 3thrB-1xlsA:
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.
2a2g PROTEIN
(ALPHA-2U-GLOBULIN)

(Rattus
norvegicus) 		PF00061
(Lipocalin) 		4 LEU A  93
HIS A 104
THR A   6
ARG A   7
 None
 1.25A 3thrB-2a2gA:
undetectable		 3thrB-2a2gA:
23.59
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.
2aaf ARGININE DEIMINASE

(Pseudomonas
aeruginosa) 		PF02274
(Amidinotransf) 		4 LEU A  76
HIS A  73
MET A  72
THR A 192
 None
 1.16A 3thrB-2aafA:
undetectable		 3thrB-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.
2dr3 UPF0273 PROTEIN
PH0284

(Pyrococcus
horikoshii) 		PF06745
(ATPase) 		4 SER A 216
MET A 212
THR A 215
ARG A   4
 None
 1.14A 3thrB-2dr3A:
3.6		 3thrB-2dr3A:
22.86
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.
2eh0 KINESIN-LIKE PROTEIN
KIF1B

(Homo sapiens) 		PF00498
(FHA)
PF16183
(Kinesin_assoc) 		4 SER A  80
HIS A 107
MET A 103
THR A  82
 None
 1.34A 3thrB-2eh0A:
undetectable		 3thrB-2eh0A:
16.44
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.
2gj4 GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM

(Oryctolagus
cuniculus) 		PF00343
(Phosphorylase) 		4 SER A 812
LEU A 683
THR A 487
ARG A 489
 None
 1.40A 3thrB-2gj4A:
undetectable		 3thrB-2gj4A:
15.79
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.
2h31 MULTIFUNCTIONAL
PROTEIN ADE2

(Homo sapiens) 		PF00731
(AIRC)
PF01259
(SAICAR_synt) 		4 SER A 405
LEU A 407
HIS A 167
THR A 409
 None
 1.45A 3thrB-2h31A:
undetectable		 3thrB-2h31A:
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.
2hdi COLICIN I RECEPTOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 SER A 546
HIS A 594
THR A 576
ARG A  61
 None
 1.08A 3thrB-2hdiA:
undetectable		 3thrB-2hdiA:
19.14
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.
2ijz PROBABLE M18-FAMILY
AMINOPEPTIDASE 2

(Pseudomonas
aeruginosa) 		PF02127
(Peptidase_M18) 		4 LEU A 238
HIS A 401
MET A 400
THR A 397
 None
 1.33A 3thrB-2ijzA:
undetectable		 3thrB-2ijzA:
21.67
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.
2mui UPF0301 PROTEIN ALGH

(Pseudomonas
aeruginosa) 		PF02622
(DUF179) 		4 SER A  98
LEU A 100
MET A 107
THR A 109
 None
 0.72A 3thrB-2muiA:
undetectable		 3thrB-2muiA:
19.59
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.
2o8r POLYPHOSPHATE KINASE

(Porphyromonas
gingivalis) 		PF02503
(PP_kinase)
PF13089
(PP_kinase_N)
PF13090
(PP_kinase_C) 		4 SER A 460
LEU A 458
MET A 478
THR A 476
 None
 0.95A 3thrB-2o8rA:
undetectable		 3thrB-2o8rA:
17.53
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.
2oaj PROTEIN SNI1

(Saccharomyces
cerevisiae) 		PF08596
(Lgl_C) 		4 SER A 739
HIS A 744
THR A 738
ARG A 786
 None
 1.41A 3thrB-2oajA:
2.1		 3thrB-2oajA:
16.11
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.
2pbj PROSTAGLANDIN E
SYNTHASE 2

(Macaca
fascicularis) 		PF13417
(GST_N_3) 		4 SER A 178
LEU A 176
HIS A 123
THR A 174
 None
 1.23A 3thrB-2pbjA:
undetectable		 3thrB-2pbjA:
21.58
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.
2pm9 PROTEIN TRANSPORT
PROTEIN SEC31

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 LEU A 172
HIS A 174
THR A 223
ARG A 243
 None
 1.00A 3thrB-2pm9A:
undetectable		 3thrB-2pm9A:
20.81
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.
2pun METHYLTHIORIBOSE
KINASE

(Bacillus
subtilis) 		PF01636
(APH) 		4 LEU A 270
HIS A 288
THR A 236
ARG A 124
 None
 1.29A 3thrB-2punA:
undetectable		 3thrB-2punA:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qve TYROSINE AMINOMUTASE

(Streptomyces
globisporus) 		PF00221
(Lyase_aromatic) 		4 LEU A 270
MET A 267
THR A 263
ARG A 321
 None
 1.37A 3thrB-2qveA:
undetectable		 3thrB-2qveA:
20.26
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.
2vr2 DIHYDROPYRIMIDINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 SER A 379
LEU A  60
THR A 378
ARG A 355
 None
 1.44A 3thrB-2vr2A:
undetectable		 3thrB-2vr2A:
20.26
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.
2zws NEUTRAL CERAMIDASE

(Pseudomonas
aeruginosa) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		4 SER A 601
LEU A 560
HIS A 617
ARG A 587
 None
 1.31A 3thrB-2zwsA:
undetectable		 3thrB-2zwsA:
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.
3a8t ADENYLATE
ISOPENTENYLTRANSFERA
SE

(Humulus lupulus) 		PF01715
(IPPT) 		4 SER A 173
LEU A 177
THR A 292
ARG A 296
 None
 1.44A 3thrB-3a8tA:
undetectable		 3thrB-3a8tA:
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.
3b43 TITIN

(Oryctolagus
cuniculus) 		PF07679
(I-set) 		4 LEU A 345
MET A 347
THR A 305
ARG A 297
 None
 1.12A 3thrB-3b43A:
undetectable		 3thrB-3b43A:
18.87
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.
3b8z PROTEIN ADAMTS-5

(Homo sapiens) 		PF01421
(Reprolysin) 		4 LEU A 438
HIS A 410
MET A 439
THR A 456
 None
ZN  A 901 ( 3.2A)
None
None
 1.32A 3thrB-3b8zA:
undetectable		 3thrB-3b8zA:
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.
3bin BAND 4.1-LIKE
PROTEIN 3

(Homo sapiens) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		4 SER A 235
LEU A 237
THR A 232
ARG A 210
 None
 0.74A 3thrB-3binA:
undetectable		 3thrB-3binA:
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.
3cem GLYCOGEN
PHOSPHORYLASE, LIVER
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		4 SER A 812
LEU A 683
THR A 487
ARG A 489
 None
 1.35A 3thrB-3cemA:
2.8		 3thrB-3cemA:
17.62
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.
3evt PHOSPHOGLYCERATE
DEHYDROGENASE

(Lactobacillus
plantarum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 LEU A 128
MET A 130
THR A 132
ARG A 111
 None
 1.22A 3thrB-3evtA:
6.6		 3thrB-3evtA:
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.
3f2k HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF01359
(Transposase_1) 		4 SER A  88
LEU A  90
MET A  74
THR A  76
 None
 0.75A 3thrB-3f2kA:
undetectable		 3thrB-3f2kA:
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.
3g4f (+)-DELTA-CADINENE
SYNTHASE ISOZYME XC1

(Gossypium
arboreum) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 SER A 417
LEU A 413
MET A 412
THR A 416
 None
 1.36A 3thrB-3g4fA:
undetectable		 3thrB-3g4fA:
20.11
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.
3it7 PROTEASE LASA

(Pseudomonas
aeruginosa) 		PF01551
(Peptidase_M23) 		4 SER A   4
LEU A   6
HIS A  55
MET A   7
 None
 1.07A 3thrB-3it7A:
undetectable		 3thrB-3it7A:
20.60
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.
3jby V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Danio rerio) 		PF12940
(RAG1) 		4 LEU A1015
HIS A1012
THR A1017
ARG A 675
 None
 1.37A 3thrB-3jbyA:
undetectable		 3thrB-3jbyA:
16.17
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.
3ldr FRUCTOSYLTRANSFERASE

(Aspergillus
japonicus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 SER A 367
HIS A  50
THR A 613
ARG A 552
 None
 1.36A 3thrB-3ldrA:
undetectable		 3thrB-3ldrA:
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.
3nvn PLEXIN-C1

(Homo sapiens) 		PF01437
(PSI) 		4 SER B 311
LEU B 376
THR B 325
ARG B 321
 None
 1.22A 3thrB-3nvnB:
undetectable		 3thrB-3nvnB:
20.16
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.
3nzt GLUTAMATE--CYSTEINE
LIGASE

(Francisella
tularensis) 		PF04262
(Glu_cys_ligase) 		4 SER A 134
LEU A  88
THR A  17
ARG A  15
 None
 1.49A 3thrB-3nztA:
undetectable		 3thrB-3nztA:
20.08
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.
3oox PUTATIVE 2OG-FE(II)
OXYGENASE FAMILY
PROTEIN

(Caulobacter
vibrioides) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		4 SER A 168
LEU A 170
MET A 100
ARG A 102
 None
 1.09A 3thrB-3ooxA:
undetectable		 3thrB-3ooxA:
23.92
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.
3s8m ENOYL-ACP REDUCTASE

(Xanthomonas
oryzae) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		4 SER A 105
LEU A 103
THR A  69
ARG A  58
 None
 1.39A 3thrB-3s8mA:
5.8		 3thrB-3s8mA:
20.92
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.
3sfw DIHYDROPYRIMIDINASE

(Brevibacillus
agri) 		PF01979
(Amidohydro_1) 		4 SER A 369
LEU A  51
THR A 368
ARG A 345
 None
 1.45A 3thrB-3sfwA:
undetectable		 3thrB-3sfwA:
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.
3slu M23 PEPTIDASE DOMAIN
PROTEIN

(Neisseria
meningitidis) 		PF01551
(Peptidase_M23) 		4 SER A 211
LEU A 157
THR A 159
ARG A 161
 None
 1.16A 3thrB-3sluA:
undetectable		 3thrB-3sluA:
23.30
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.
3tqr PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Coxiella
burnetii) 		PF00551
(Formyl_trans_N) 		4 SER A 210
LEU A 116
HIS A 112
ARG A 157
 None
 1.31A 3thrB-3tqrA:
undetectable		 3thrB-3tqrA:
21.52
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.
3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		4 LEU B 371
HIS B 375
MET B 372
ARG B 149
 None
 1.35A 3thrB-3ze7B:
undetectable		 3thrB-3ze7B:
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.
4ate BETA-PORPHYRANASE A

(Zobellia
galactanivorans) 		no annotation 4 SER A 128
LEU A 124
MET A 126
THR A 233
 None
CL  A1277 (-4.4A)
None
None
 1.36A 3thrB-4ateA:
undetectable		 3thrB-4ateA:
21.20
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.
4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC

(Arabidopsis
thaliana) 		PF00343
(Phosphorylase) 		4 SER A 820
LEU A 690
THR A 490
ARG A 492
 PEG  A1842 (-2.5A)
None
None
PEG  A1842 ( 4.4A)
 1.40A 3thrB-4bqiA:
undetectable		 3thrB-4bqiA:
15.86
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.
4bzk PROTEIN TRANSPORT
PROTEIN SEC31

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12931
(Sec16_C) 		4 LEU A 172
HIS A 174
THR A 223
ARG A 243
 None
 1.00A 3thrB-4bzkA:
undetectable		 3thrB-4bzkA:
12.37
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.
4c41 CORTICOSTEROID-BINDI
NG GLOBULIN

(Homo sapiens) 		PF00079
(Serpin) 		4 SER A  56
HIS A  62
THR A  59
ARG A 311
 None
 1.48A 3thrB-4c41A:
undetectable		 3thrB-4c41A:
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.
4d5c TETRACYCLINE
REPRESSOR PROTEIN
TETR

(Proteus
mirabilis) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		4 SER A 144
LEU A  90
HIS A 100
THR A 141
 None
 1.40A 3thrB-4d5cA:
undetectable		 3thrB-4d5cA:
20.34
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.
4fnm E3 ALPHA-ESTERASE-7
CARBOXYLESTERASE

(Lucilia cuprina) 		PF00135
(COesterase) 		4 SER A 378
LEU A 380
HIS A 566
ARG A 385
 None
 1.38A 3thrB-4fnmA:
undetectable		 3thrB-4fnmA:
19.22
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.
4ggp TRANS-2-ENOYL-COA
REDUCTASE

(Treponema
denticola) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		4 SER A 110
LEU A 108
THR A  74
ARG A  63
 None
 1.27A 3thrB-4ggpA:
6.4		 3thrB-4ggpA:
19.95
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.
4gyi RIO2 KINASE

(Chaetomium
thermophilum) 		PF01163
(RIO1)
PF09202
(Rio2_N) 		4 HIS A 185
MET A 152
THR A 148
ARG A  75
 EDO  A 403 (-4.1A)
None
None
None
 1.00A 3thrB-4gyiA:
undetectable		 3thrB-4gyiA:
24.64
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 14

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M) 		4 SER N 100
LEU N  98
MET N 107
ARG N 225
 None
 1.24A 3thrB-4heaN:
undetectable		 3thrB-4heaN:
21.30
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.
4qiw DNA-DIRECTED RNA
POLYMERASE

(Thermococcus
kodakarensis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 LEU A 812
HIS A 820
THR A 805
ARG A 799
 None
 1.46A 3thrB-4qiwA:
undetectable		 3thrB-4qiwA:
15.84
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.
4roq MALYL-COA
LYASE/BETA-METHYLMAL
YL-COA LYASE

(Methylobacterium
extorquens) 		PF03328
(HpcH_HpaI) 		4 LEU A  99
MET A  74
THR A  72
ARG A  12
 None
 1.42A 3thrB-4roqA:
undetectable		 3thrB-4roqA:
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.
4x3h ACTIVITY-REGULATED
CYTOSKELETON-ASSOCIA
TED PROTEIN

(Rattus
norvegicus) 		no annotation 4 SER A 222
LEU A 224
HIS A 245
ARG A 229
 None
 1.28A 3thrB-4x3hA:
undetectable		 3thrB-4x3hA:
12.29
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.
4xox 3-OXOACYL-ACP
SYNTHASE

(Vibrio cholerae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 SER A 104
LEU A 332
HIS A 330
THR A 163
 None
 1.27A 3thrB-4xoxA:
undetectable		 3thrB-4xoxA:
23.42
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.
4y9l PROTEIN ACDH-11,
ISOFORM B

(Caenorhabditis
elegans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		4 SER A 176
LEU A 179
HIS A 183
THR A 173
 None
 1.29A 3thrB-4y9lA:
undetectable		 3thrB-4y9lA:
19.40
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.
4zwj CHIMERA PROTEIN OF
HUMAN RHODOPSIN,
MOUSE S-ARRESTIN,
AND T4 ENDOLYSIN

(Homo sapiens;
Mus musculus;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00339
(Arrestin_N)
PF00959
(Phage_lysozyme)
PF02752
(Arrestin_C)
PF10413
(Rhodopsin_N) 		4 SER A 127
LEU A 125
HIS A 211
THR A 160
 None
 1.49A 3thrB-4zwjA:
undetectable		 3thrB-4zwjA:
14.92
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		4 LEU A 629
HIS A 562
THR A 555
ARG A 684
 None
 1.30A 3thrB-5a22A:
undetectable		 3thrB-5a22A:
9.19
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.
5aa5 NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases) 		4 SER C  56
LEU C  35
THR C  54
ARG C 364
 None
 1.46A 3thrB-5aa5C:
undetectable		 3thrB-5aa5C:
20.92
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.
5ao8 SOLUBLE LYTIC
TRANGLYCOSILASE B3

(Pseudomonas
aeruginosa) 		PF01471
(PG_binding_1)
PF13406
(SLT_2) 		4 SER A 160
LEU A 178
HIS A 175
THR A 163
 None
 1.43A 3thrB-5ao8A:
undetectable		 3thrB-5ao8A:
22.78
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.
5awf FES CLUSTER ASSEMBLY
PROTEIN SUFB

(Escherichia
coli) 		PF01458
(UPF0051) 		4 SER A 323
LEU A 298
HIS A  79
THR A 326
 None
 1.38A 3thrB-5awfA:
undetectable		 3thrB-5awfA:
20.24
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.
5h3k SLR0280 PROTEIN

(Synechocystis
sp. PCC 6803) 		no annotation 4 SER A 129
LEU A 114
THR A 128
ARG A  77
 None
 1.39A 3thrB-5h3kA:
undetectable		 3thrB-5h3kA:
20.26
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.
5hu4 CYSTEINE PROTEASE

(Listeria
monocytogenes) 		PF04203
(Sortase) 		4 SER A  62
LEU A  64
HIS A  56
MET A  58
 None
 1.28A 3thrB-5hu4A:
undetectable		 3thrB-5hu4A:
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.
5i4a ARGONAUTE PROTEIN

(Marinitoga
piezophila) 		no annotation 4 SER A 448
LEU A 458
HIS A 475
THR A 456
 None
 1.48A 3thrB-5i4aA:
undetectable		 3thrB-5i4aA:
16.90
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.
5i68 ALCOHOL OXIDASE 1

(Komagataella
pastoris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 SER A 167
HIS A 472
MET A 470
THR A 466
 None
 1.30A 3thrB-5i68A:
undetectable		 3thrB-5i68A:
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.
5ijm UNCHARACTERIZED
PROTEIN

(Leishmania
major) 		PF00887
(ACBP) 		4 SER A  88
LEU A  86
THR A  84
ARG A  81
 None
 1.16A 3thrB-5ijmA:
undetectable		 3thrB-5ijmA:
19.03
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.
5nmw FLAVIN-CONTAINING
MONOOXYGENASE

(Zonocerus
variegatus) 		no annotation 4 SER A 139
HIS A 114
THR A 128
ARG A 119
 None
FAD  A 500 (-3.6A)
None
None
 1.40A 3thrB-5nmwA:
undetectable		 3thrB-5nmwA:
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.
5nqa POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 4

(Homo sapiens) 		no annotation 4 SER A 162
LEU A 159
HIS A 156
THR A 161
 None
None
None
EDO  A 604 (-3.9A)
 1.41A 3thrB-5nqaA:
undetectable		 3thrB-5nqaA:
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.
5oqr CONDENSIN COMPLEX
SUBUNIT 3

(Schizosaccharomyces
pombe) 		no annotation 4 LEU A 550
HIS A 589
MET A 585
THR A 581
 None
 1.41A 3thrB-5oqrA:
undetectable		 3thrB-5oqrA:
16.47
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.
5tw1 DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Mycolicibacterium
smegmatis) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF10385
(RNA_pol_Rpb2_45) 		4 SER C 612
LEU C 706
MET C 704
THR C 699
 None
 1.40A 3thrB-5tw1C:
undetectable		 3thrB-5tw1C:
14.11
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.
5u1s SEPARIN

(Saccharomyces
cerevisiae) 		PF03568
(Peptidase_C50) 		4 SER A1183
LEU A1185
THR A1170
ARG A1111
 None
 0.95A 3thrB-5u1sA:
undetectable		 3thrB-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.
5v9x ATP-DEPENDENT DNA
HELICASE

(Mycolicibacterium
smegmatis) 		no annotation 4 SER A 352
LEU A 350
MET A 370
ARG A  94
 None
None
None
GOL  A 902 (-4.1A)
 1.40A 3thrB-5v9xA:
undetectable		 3thrB-5v9xA:
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.
5wf2 UNCHARACTERIZED
PROTEIN

(Equus caballus) 		no annotation 4 SER A 412
LEU A 408
THR A 424
ARG A 428
 None
 1.41A 3thrB-5wf2A:
undetectable		 3thrB-5wf2A:
21.30
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.
5xi0 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Aliivibrio
fischeri) 		no annotation 4 SER A 105
LEU A 103
THR A  69
ARG A  58
 None
 1.42A 3thrB-5xi0A:
undetectable		 3thrB-5xi0A:
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 SER B 679
LEU B 681
HIS B 651
THR B 683
 None
 1.49A 3thrB-5xogB:
undetectable		 3thrB-5xogB:
12.35
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.
5xpg UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		no annotation 4 SER A 178
LEU A 260
HIS A 227
THR A 258
 None
 1.47A 3thrB-5xpgA:
undetectable		 3thrB-5xpgA:
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.
6blm 4-OXALOCROTONATE
TAUTOMERASE

(Burkholderia
lata) 		no annotation 4 SER A  95
LEU A  97
THR A  92
ARG A  23
 None
 1.48A 3thrB-6blmA:
undetectable		 3thrB-6blmA:
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.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 4 SER A 493
HIS A 540
THR A 494
ARG A 490
 None
 1.36A 3thrB-6fikA:
undetectable		 3thrB-6fikA:
undetectable