SIMILAR PATTERNS OF AMINO ACIDS FOR 3TM4_A_SAMA401

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.
1ehk BA3-TYPE
CYTOCHROME-C OXIDASE

(Thermus
thermophilus) 		PF00115
(COX1) 		5 ALA A 367
LEU A 371
GLY A 362
HIS A 384
LEU A 310
 HAS  A 801 (-3.4A)
None
None
HAS  A 801 (-4.4A)
HAS  A 801 (-4.0A)
 1.23A 3tm4A-1ehkA:
undetectable		 3tm4A-1ehkA:
21.89
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.
1ewr DNA MISMATCH REPAIR
PROTEIN MUTS

(Thermus
aquaticus) 		PF00488
(MutS_V)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		5 HIS A 726
HIS A 558
ALA A 614
ASN A 570
LEU A 551
 None
 1.34A 3tm4A-1ewrA:
undetectable		 3tm4A-1ewrA:
21.00
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.
1fbw ENDO-1,4-BETA-GLUCAN
ASE F

([Clostridium]
cellulolyticum) 		PF02011
(Glyco_hydro_48) 		5 HIS A  67
LEU A  63
GLY A 621
TYR A   9
ALA A 502
 None
 1.34A 3tm4A-1fbwA:
undetectable		 3tm4A-1fbwA:
19.56
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.
1g5b SERINE/THREONINE
PROTEIN PHOSPHATASE

(Escherichia
virus Lambda) 		PF00149
(Metallophos) 		5 ALA A 205
GLY A  23
HIS A  22
ASN A  27
LEU A  44
 None
None
MN  A1006 (-3.4A)
None
None
 1.12A 3tm4A-1g5bA:
undetectable		 3tm4A-1g5bA:
20.05
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.
1gz7 LIPASE 2

(Diutina rugosa) 		PF00135
(COesterase) 		5 ALA A 414
LEU A 409
GLY A 342
HIS A 449
LEU A 435
 None
 1.34A 3tm4A-1gz7A:
undetectable		 3tm4A-1gz7A:
20.74
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.
1ir6 EXONUCLEASE RECJ

(Thermus
thermophilus) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 ALA A 254
LEU A 250
GLY A 301
HIS A 304
ALA A 275
 None
 1.20A 3tm4A-1ir6A:
2.9		 3tm4A-1ir6A:
23.56
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.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		5 GLY A 583
TYR A 628
ALA A 469
ASN A 603
PRO A 579
 CL  A2004 (-4.1A)
None
None
CL  A2004 (-4.1A)
None
 1.06A 3tm4A-1itkA:
undetectable		 3tm4A-1itkA:
19.51
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 ALA A1122
LEU A1193
GLY A1198
HIS A1088
LEU A 846
 None
 1.33A 3tm4A-1ofeA:
4.9		 3tm4A-1ofeA:
14.76
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.
1qfx PROTEIN (PH 2.5 ACID
PHOSPHATASE)

(Aspergillus
niger) 		PF00328
(His_Phos_2) 		5 ALA A 250
LEU A 248
MET A 243
TYR A 111
LEU A  80
 None
 1.15A 3tm4A-1qfxA:
undetectable		 3tm4A-1qfxA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qyr HIGH LEVEL
KASUGAMYCIN
RESISTANCE PROTEIN

(Escherichia
coli) 		PF00398
(RrnaAD) 		5 LEU A  20
GLY A  47
ALA A  92
ASN A 113
PRO A 115
 None
 0.88A 3tm4A-1qyrA:
14.1		 3tm4A-1qyrA:
19.41
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.
1r6m RIBONUCLEASE PH

(Pseudomonas
aeruginosa) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 ALA A 236
LEU A 232
GLY A 133
ALA A 102
LEU A 156
 None
 1.30A 3tm4A-1r6mA:
undetectable		 3tm4A-1r6mA:
23.02
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.
1scj SUBTILISIN E
SUBTILISIN E

(Bacillus
subtilis;
Bacillus
subtilis) 		PF00082
(Peptidase_S8)
PF05922
(Inhibitor_I9) 		5 ALA A 176
GLY A 154
ALA B 374
PRO A 168
LEU A 135
 CA  A 382 (-3.8A)
None
None
None
None
 1.33A 3tm4A-1scjA:
2.5		 3tm4A-1scjA:
22.83
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.
1szs 4-AMINOBUTYRATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		5 LEU A 403
GLY A  56
HIS A  57
ALA A 307
ASN A  54
 None
None
EDO  A1223 (-3.9A)
None
None
 1.04A 3tm4A-1szsA:
undetectable		 3tm4A-1szsA:
21.17
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.
1uay TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00106
(adh_short) 		5 ALA A  18
LEU A  20
GLY A  10
ALA A  57
LEU A  67
 None
 1.34A 3tm4A-1uayA:
undetectable		 3tm4A-1uayA:
21.12
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.
1uwy CARBOXYPEPTIDASE M

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		5 ALA A  63
LEU A 263
GLY A 174
TYR A 270
LEU A 276
 None
 1.03A 3tm4A-1uwyA:
undetectable		 3tm4A-1uwyA:
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.
1vdk FUMARATE HYDRATASE
CLASS II

(Thermus
thermophilus) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 ALA A 231
LEU A 236
GLY A 229
ALA A  56
ASN A 237
 None
 1.30A 3tm4A-1vdkA:
undetectable		 3tm4A-1vdkA:
23.37
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.
1vef ACETYLORNITHINE/ACET
YL-LYSINE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00202
(Aminotran_3) 		5 LEU A 376
GLY A  60
HIS A  61
ALA A 293
ASN A  58
 None
 1.25A 3tm4A-1vefA:
2.9		 3tm4A-1vefA:
22.48
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.
1vl5 UNKNOWN CONSERVED
PROTEIN BH2331

(Bacillus
halodurans) 		PF08241
(Methyltransf_11) 		5 ALA A  59
HIS A  89
GLY A  54
HIS A  55
ALA A 117
 None
 1.25A 3tm4A-1vl5A:
11.2		 3tm4A-1vl5A:
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.
1wyd HYPOTHETICAL
ASPARTYL-TRNA
SYNTHETASE

(Sulfurisphaera
tokodaii) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 LEU A 261
MET A 407
GLY A 410
PRO A 269
LEU A 316
 None
 0.93A 3tm4A-1wydA:
undetectable		 3tm4A-1wydA:
23.84
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.
1yfm FUMARASE

(Saccharomyces
cerevisiae) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 ALA A 256
LEU A 261
GLY A 254
ALA A  81
ASN A 262
 None
 1.30A 3tm4A-1yfmA:
undetectable		 3tm4A-1yfmA:
22.62
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.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Desulfovibrio
africanus) 		PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II) 		5 ALA A1106
MET A1030
GLY A1033
TYR A1036
ALA A1026
 None
 1.19A 3tm4A-2c3oA:
2.7		 3tm4A-2c3oA:
15.92
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.
2ckh SENTRIN-SPECIFIC
PROTEASE 1

(Homo sapiens) 		PF02902
(Peptidase_C48) 		5 MET A 475
HIS A 491
ASN A 472
PRO A 527
LEU A 536
 None
 1.23A 3tm4A-2ckhA:
undetectable		 3tm4A-2ckhA:
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.
2d3i OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		5 ALA A 538
HIS A 455
GLY A 526
ALA A 555
LEU A 561
 None
 1.21A 3tm4A-2d3iA:
2.6		 3tm4A-2d3iA:
19.69
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.
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA C 277
GLY C 381
ALA C 314
PRO C 288
LEU C 311
 None
None
ACO  C1003 (-3.4A)
None
None
 1.33A 3tm4A-2d3tC:
undetectable		 3tm4A-2d3tC:
23.04
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.
2dqw DIHYDROPTEROATE
SYNTHASE

(Thermus
thermophilus) 		PF00809
(Pterin_bind) 		5 ALA A 124
LEU A  19
HIS A 145
ALA A 186
LEU A 133
 None
 1.11A 3tm4A-2dqwA:
undetectable		 3tm4A-2dqwA:
23.04
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.
2dqw DIHYDROPTEROATE
SYNTHASE

(Thermus
thermophilus) 		PF00809
(Pterin_bind) 		5 LEU A  19
GLY A 146
HIS A 145
ALA A 186
LEU A 133
 None
 1.12A 3tm4A-2dqwA:
undetectable		 3tm4A-2dqwA:
23.04
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.
2f1k PREPHENATE
DEHYDROGENASE

(Synechocystis
sp. PCC 6803) 		PF02153
(PDH) 		5 LEU A 164
GLY A 111
HIS A 112
ALA A 101
PRO A 167
 None
None
OMT  A 114 ( 3.9A)
None
None
 1.29A 3tm4A-2f1kA:
6.7		 3tm4A-2f1kA:
23.47
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.
2hwt PUTATIVE
REPLICASE-ASSOCIATED
PROTEIN

(Faba bean
necrotic
yellows virus) 		PF02407
(Viral_Rep) 		5 ALA A  64
HIS A  65
TYR A  30
ASN A  13
PRO A  15
 None
 1.03A 3tm4A-2hwtA:
2.2		 3tm4A-2hwtA:
14.50
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.
2j9i GLUTAMATE-AMMONIA
LIGASE
DOMAIN-CONTAINING
PROTEIN 1

(Mus musculus) 		PF00120
(Gln-synt_C) 		5 ALA A 322
GLY A 229
HIS A 231
ALA A 197
LEU A 333
 None
 1.35A 3tm4A-2j9iA:
undetectable		 3tm4A-2j9iA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jjp CYTOCHROME P450
113A1

(Saccharopolyspora
erythraea) 		PF00067
(p450) 		5 ALA A 149
LEU A 151
GLY A 242
HIS A 243
LEU A 125
 None
 1.08A 3tm4A-2jjpA:
undetectable		 3tm4A-2jjpA:
25.22
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.
2o0m TRANSCRIPTIONAL
REGULATOR, SORC
FAMILY

(Enterococcus
faecalis) 		PF04198
(Sugar-bind) 		5 HIS A 170
MET A 195
GLY A 201
ALA A 158
LEU A 131
 None
 1.32A 3tm4A-2o0mA:
2.0		 3tm4A-2o0mA:
24.62
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.
2odp COMPLEMENT C2

(Homo sapiens) 		PF00089
(Trypsin)
PF00092
(VWA) 		5 ALA A 475
HIS A 461
MET A 553
LYS A 550
PRO A 559
 None
 1.29A 3tm4A-2odpA:
undetectable		 3tm4A-2odpA:
23.17
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.
2q01 URONATE ISOMERASE

(Caulobacter
vibrioides) 		PF02614
(UxaC) 		5 LEU A 319
GLY A 327
TYR A  66
ASN A 313
LEU A 360
 None
 1.20A 3tm4A-2q01A:
undetectable		 3tm4A-2q01A:
22.72
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.
2q49 PROBABLE
N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Arabidopsis
thaliana) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 HIS A  41
MET A 343
GLY A 345
ALA A 155
ASN A 341
 None
 1.16A 3tm4A-2q49A:
3.2		 3tm4A-2q49A:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qdd MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 309
HIS A 306
LEU A 307
GLY A 126
PRO A 312
 None
 1.28A 3tm4A-2qddA:
2.0		 3tm4A-2qddA:
21.98
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.
2rkq PEPTIDOGLYCAN-RECOGN
ITION PROTEIN-SD

(Drosophila
melanogaster) 		PF01510
(Amidase_2) 		5 ALA A  41
HIS A  42
LEU A 163
GLY A 149
LEU A 141
 None
 1.23A 3tm4A-2rkqA:
undetectable		 3tm4A-2rkqA:
16.80
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.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		5 ALA A 258
HIS A 259
LEU A 260
GLY A  17
HIS A  18
 None
UFP  A 529 (-4.1A)
None
None
None
 1.32A 3tm4A-2tddA:
undetectable		 3tm4A-2tddA:
24.80
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.
2wk1 NOVP

(Actinoalloteichus
cyanogriseus) 		PF05711
(TylF) 		5 HIS A 144
LEU A 143
GLY A 126
ALA A 121
LEU A 182
 SO4  A 401 (-4.0A)
None
SAH  A 301 (-3.0A)
None
None
 1.13A 3tm4A-2wk1A:
11.9		 3tm4A-2wk1A:
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.
2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 LEU A 508
TYR A 581
HIS A 589
ALA A 524
LEU A 526
 None
 1.30A 3tm4A-2x58A:
4.6		 3tm4A-2x58A:
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.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 ALA A  44
HIS A 242
LEU A 240
GLY A  20
ALA A 448
 FAD  A 600 (-3.3A)
None
None
FAD  A 600 (-3.3A)
FAD  A 600 (-3.5A)
 1.32A 3tm4A-2z5xA:
4.0		 3tm4A-2z5xA:
24.38
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.
2z8z LIPASE

(Pseudomonas sp.
MIS38) 		PF00353
(HemolysinCabind) 		5 GLY A 209
HIS A 206
ASN A 214
PRO A 239
LEU A 163
 None
 1.30A 3tm4A-2z8zA:
undetectable		 3tm4A-2z8zA:
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.
3gju PUTATIVE
AMINOTRANSFERASE

(Mesorhizobium
japonicum) 		PF00202
(Aminotran_3) 		5 ALA A  57
LEU A 434
GLY A  65
ALA A 336
ASN A  63
 None
 1.31A 3tm4A-3gjuA:
2.3		 3tm4A-3gjuA:
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.
3h07 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE

(Yersinia pestis) 		PF00926
(DHBP_synthase) 		5 ALA A 185
HIS A 184
GLY A  41
ALA A 156
ASN A  39
 None
 1.11A 3tm4A-3h07A:
undetectable		 3tm4A-3h07A:
21.60
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.
3hxk SUGAR HYDROLASE

(Lactococcus
lactis) 		PF00326
(Peptidase_S9) 		5 LEU A 214
TYR A 152
HIS A 195
ALA A 258
LEU A 124
 None
 1.34A 3tm4A-3hxkA:
undetectable		 3tm4A-3hxkA:
21.60
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.
3iha SALT-TOLERANT
GLUTAMINASE

(Micrococcus
luteus) 		PF04960
(Glutaminase) 		5 ALA A  73
LEU A  75
ALA A 268
PRO A  68
LEU A 266
 None
 1.19A 3tm4A-3ihaA:
undetectable		 3tm4A-3ihaA:
22.43
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.
3ldu PUTATIVE METHYLASE

(Clostridioides
difficile) 		PF01170
(UPF0020)
PF02926
(THUMP) 		6 MET A 200
GLY A 202
ALA A 290
ASN A 305
PRO A 307
LEU A 321
 GTP  A 383 (-4.5A)
GTP  A 383 (-2.6A)
GTP  A 383 (-3.7A)
GTP  A 383 (-4.2A)
GTP  A 383 (-3.7A)
None
 0.60A 3tm4A-3lduA:
33.1		 3tm4A-3lduA:
28.71
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.
3msy MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(marine
actinobacterium
PHSC20C1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 329
HIS A 326
LEU A 327
GLY A 146
PRO A 332
 None
 1.34A 3tm4A-3msyA:
undetectable		 3tm4A-3msyA:
22.14
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.
3muo PROLYL ENDOPEPTIDASE

(Aeromonas
caviae) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 LEU A 686
GLY A 481
TYR A 483
ALA A 533
LEU A 559
 None
None
ZPR  A 702 (-4.8A)
None
None
 1.23A 3tm4A-3muoA:
undetectable		 3tm4A-3muoA:
20.31
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.
3nf4 ACYL-COA
DEHYDROGENASE

(Mycolicibacterium
thermoresistibile) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A 210
HIS A 209
LEU A 208
ALA A  27
LEU A  52
 None
 1.03A 3tm4A-3nf4A:
undetectable		 3tm4A-3nf4A:
23.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tm5 CRYSTAL STRUCTURE OF
TRM14

(Pyrococcus
furiosus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		12 ALA A 200
HIS A 201
LEU A 202
MET A 225
GLY A 227
LYS A 249
TYR A 250
HIS A 253
ALA A 277
ASN A 293
PRO A 295
LEU A 309
 SFG  A 401 (-3.9A)
None
SFG  A 401 (-4.5A)
SFG  A 401 (-3.9A)
SFG  A 401 ( 3.7A)
SFG  A 401 (-4.9A)
SFG  A 401 (-4.5A)
SFG  A 401 (-3.9A)
SFG  A 401 (-3.1A)
SFG  A 401 (-4.4A)
SFG  A 401 ( 4.4A)
None
 0.25A 3tm4A-3tm5A:
54.6		 3tm4A-3tm5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tma METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 LEU A 168
GLY A 194
ALA A 244
PRO A 262
LEU A 276
 None
 0.75A 3tm4A-3tmaA:
34.8		 3tm4A-3tmaA:
30.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tma METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 LEU A 168
GLY A 194
ASN A 260
PRO A 262
LEU A 276
 None
 0.85A 3tm4A-3tmaA:
34.8		 3tm4A-3tmaA:
30.97
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.
3u3z MICROCEPHALIN

(Homo sapiens) 		PF00533
(BRCT)
PF16589
(BRCT_2) 		5 LEU A 695
GLY A 700
TYR A 751
ALA A 736
LEU A 755
 None
 1.34A 3tm4A-3u3zA:
undetectable		 3tm4A-3u3zA:
19.62
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.
3uk1 TRANSKETOLASE

(Burkholderia
thailandensis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A 414
GLY A 396
TYR A 452
ALA A 442
ASN A 431
 None
 1.20A 3tm4A-3uk1A:
3.7		 3tm4A-3uk1A:
19.35
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.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L

(Escherichia
coli) 		PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM) 		5 MET A 197
GLY A 199
ASN A 309
PRO A 311
LEU A 325
 SAM  A 801 (-4.5A)
SAM  A 801 (-3.2A)
SAM  A 801 (-4.5A)
SAM  A 801 ( 4.1A)
SAM  A 801 ( 4.8A)
 0.50A 3tm4A-3v8vA:
31.0		 3tm4A-3v8vA:
18.72
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.
3vss BETA-FRUCTOFURANOSID
ASE

(Microbacterium
saccharophilum) 		PF02435
(Glyco_hydro_68) 		5 HIS A 453
GLY A 430
ALA A 504
ASN A  85
PRO A  88
 None
 1.26A 3tm4A-3vssA:
undetectable		 3tm4A-3vssA:
20.63
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.
4b4u BIFUNCTIONAL PROTEIN
FOLD

(Acinetobacter
baumannii) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 LEU A  65
GLY A  93
ALA A 280
PRO A  33
LEU A  25
 None
 1.11A 3tm4A-4b4uA:
4.5		 3tm4A-4b4uA:
24.18
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.
4bgv MALATE DEHYDROGENASE

(Picrophilus
torridus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 257
LEU A 149
GLY A 180
PRO A 127
LEU A  98
 None
 1.34A 3tm4A-4bgvA:
9.4		 3tm4A-4bgvA:
23.45
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.
4e6u ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Acinetobacter
baumannii) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 ALA A 186
GLY A 195
ALA A 217
PRO A 181
LEU A 253
 None
 0.99A 3tm4A-4e6uA:
undetectable		 3tm4A-4e6uA:
20.37
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.
4exj UNCHARACTERIZED
PROTEIN

(Lodderomyces
elongisporus) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		5 ALA A 165
LEU A 167
GLY A  10
PRO A  15
LEU A   4
 None
None
SO4  A 302 (-3.7A)
None
None
 1.05A 3tm4A-4exjA:
undetectable		 3tm4A-4exjA:
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.
4fsf PENICILLIN-BINDING
PROTEIN 3

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 LEU A 405
GLY A 293
ALA A 508
PRO A 298
LEU A 461
 None
0W0  A 601 ( 3.7A)
None
None
None
 1.07A 3tm4A-4fsfA:
undetectable		 3tm4A-4fsfA:
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.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		5 LEU A  38
GLY A  65
LYS A  86
ASN A 141
PRO A 143
 None
None
None
None
ACT  A 402 ( 4.9A)
 0.91A 3tm4A-4gc5A:
14.1		 3tm4A-4gc5A:
24.55
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.
4hrw CYTIDINE AND
DEOXYCYTIDYLATE
DEAMINASE
ZINC-BINDING REGION

(Nitrosomonas
europaea) 		PF00383
(dCMP_cyt_deam_1) 		5 HIS A  77
ALA A 131
ASN A  40
PRO A  47
LEU A 174
 ZN  A 201 (-3.2A)
None
None
None
None
 1.30A 3tm4A-4hrwA:
undetectable		 3tm4A-4hrwA:
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.
4ihe THNT PROTEIN

(Streptomyces
cattleya) 		PF03576
(Peptidase_S58) 		5 ALA A 278
GLY A 192
HIS A 389
ALA A 375
ASN A 281
 None
 1.18A 3tm4A-4iheA:
undetectable		 3tm4A-4iheA:
21.57
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.
4jbh ALCOHOL
DEHYDROGENASE (ZINC)

(Pyrobaculum
aerophilum) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 ALA A 314
LEU A 318
GLY A  37
LYS A 140
TYR A  35
ALA A 300
 None
 1.37A 3tm4A-4jbhA:
8.9		 3tm4A-4jbhA:
22.88
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.
4jyk HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RUTR

(Escherichia
coli) 		PF00440
(TetR_N)
PF08362
(TetR_C_3) 		5 ALA A 168
HIS A 172
MET A 119
ALA A 123
LEU A 130
 None
 1.28A 3tm4A-4jykA:
2.3		 3tm4A-4jykA:
21.57
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.
4mlg BETA-XYLOSIDASE

(uncultured
organism) 		PF04616
(Glyco_hydro_43) 		5 LEU A  71
GLY A  68
HIS A  67
PRO A  29
LEU A 303
 None
 1.11A 3tm4A-4mlgA:
undetectable		 3tm4A-4mlgA:
19.74
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.
4nle ADENYLOSUCCINATE
LYASE

(Mycolicibacterium
smegmatis) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 ALA A 263
HIS A 265
LEU A 261
TYR A 139
LEU A 349
 None
 1.32A 3tm4A-4nleA:
undetectable		 3tm4A-4nleA:
22.53
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.
4o0e ISOASPARTYL
PEPTIDASE/L-ASPARAGI
NASE

(Homo sapiens) 		PF01112
(Asparaginase_2) 		5 LEU A 166
GLY A   9
HIS A   8
ALA A  54
ASN A  62
 None
 1.26A 3tm4A-4o0eA:
undetectable		 3tm4A-4o0eA:
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.
4oc9 PUTATIVE
O-ACETYLHOMOSERINE
(THIOL)-LYASE

(Campylobacter
jejuni) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA A 159
GLY A 395
ALA A 379
ASN A 316
PRO A 156
 None
 1.29A 3tm4A-4oc9A:
3.5		 3tm4A-4oc9A:
22.69
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.
4pl0 MICROCIN-J25 EXPORT
ATP-BINDING/PERMEASE
PROTEIN MCJD

(Escherichia
coli) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 GLY A 484
TYR A 481
ALA A 492
ASN A 515
LEU A 455
 None
 1.27A 3tm4A-4pl0A:
2.1		 3tm4A-4pl0A:
22.28
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.
4rkr TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Arthrobacter
sp. FB24) 		PF13377
(Peripla_BP_3) 		5 ALA A 118
HIS A 121
GLY A  74
ALA A 308
LEU A 152
 None
 1.22A 3tm4A-4rkrA:
2.2		 3tm4A-4rkrA:
24.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rv4 OROTATE
PHOSPHORIBOSYLTRANSF
ERASE

(Bacillus
anthracis) 		PF00156
(Pribosyltran) 		5 ALA A  74
HIS A  78
GLY A  70
LYS A 105
ALA A 135
 PRP  A 301 (-3.3A)
None
None
None
None
 1.17A 3tm4A-4rv4A:
undetectable		 3tm4A-4rv4A:
19.74
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.
4tuf MAJOR EXTRACELLULAR
ENDOGLUCANASE

(Xanthomonas
campestris) 		PF00150
(Cellulase) 		5 LEU A 258
GLY A 239
HIS A 289
ALA A 187
PRO A 243
 None
 1.32A 3tm4A-4tufA:
undetectable		 3tm4A-4tufA:
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.
4v06 TRYPTOPHAN
5-HYDROXYLASE 2

(Homo sapiens) 		PF00351
(Biopterin_H) 		5 LEU A 148
GLY A 345
ALA A 292
PRO A 155
LEU A 161
 None
 1.01A 3tm4A-4v06A:
undetectable		 3tm4A-4v06A:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ye4 HT593.1 GP120

(Human
immunodeficiency
virus) 		PF00516
(GP120) 		5 GLY G 250
TYR G 217
ALA G  70
PRO G 253
LEU G 111
 None
 1.04A 3tm4A-4ye4G:
undetectable		 3tm4A-4ye4G:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aee ALPHA-GLUCOSIDASE
YIHQ

(Escherichia
coli) 		PF01055
(Glyco_hydro_31) 		5 LEU A 568
MET A 587
GLY A 610
ALA A 490
PRO A 532
 None
 1.33A 3tm4A-5aeeA:
undetectable		 3tm4A-5aeeA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5alc ANTI-TICAGRELOR FAB
72, HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 HIS H  97
LEU H  98
GLY H  95
HIS H  35
PRO H  52
 None
 1.17A 3tm4A-5alcH:
undetectable		 3tm4A-5alcH:
19.45
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.
5bul FLAVIN-DEPENDENT
HALOGENASE TRIPLE
MUTANT

(Streptomyces) 		PF04820
(Trp_halogenase) 		5 ALA A 156
MET A 308
GLY A 311
ALA A  53
PRO A  16
 None
None
None
None
FAD  A 501 (-3.3A)
 1.25A 3tm4A-5bulA:
4.3		 3tm4A-5bulA:
23.43
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.
5by8 RPF2
RRS1

(Aspergillus
nidulans;
Aspergillus
nidulans) 		PF04427
(Brix)
PF04939
(RRS1) 		5 HIS A 218
LEU A 220
ALA A 188
ASN B  69
LEU A 147
 None
 1.31A 3tm4A-5by8A:
undetectable		 3tm4A-5by8A:
22.67
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.
5bz4 BETA-KETOTHIOLASE

(Mycolicibacterium
smegmatis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 290
GLY A 394
ALA A 327
PRO A 301
LEU A 324
 None
 1.21A 3tm4A-5bz4A:
undetectable		 3tm4A-5bz4A:
22.20
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.
5cwu NUCLEOPORIN NUP188

(Chaetomium
thermophilum) 		no annotation 5 HIS A1649
LEU A1650
HIS A1640
ALA A1633
LEU A1555
 None
 1.29A 3tm4A-5cwuA:
undetectable		 3tm4A-5cwuA:
21.71
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.
5e9h ISOCITRATE LYASE

(Fusarium
graminearum) 		PF00463
(ICL) 		5 ALA A 142
LEU A 144
GLY A 137
HIS A 138
ALA A 176
 None
 1.17A 3tm4A-5e9hA:
undetectable		 3tm4A-5e9hA:
23.64
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.
5ehk LANTIBIOTIC
DEHYDRATASE

(Microbispora
corallina) 		PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C) 		5 LEU A 328
MET A 175
ALA A 581
PRO A 295
LEU A 290
 None
 1.34A 3tm4A-5ehkA:
4.5		 3tm4A-5ehkA:
14.96
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.
5hnz PROTEIN CLARET
SEGREGATIONAL,PROTEI
N CLARET
SEGREGATIONAL,PLUS-E
ND DIRECTED
KINESIN-1/KINESIN-14
,PROTEIN CLARET
SEGREGATIONAL,PROTEI
N CLARET
SEGREGATIONAL

(Drosophila
melanogaster;
Rattus
norvegicus) 		PF00225
(Kinesin) 		5 HIS K 116
LEU K 115
HIS K 129
ALA K  82
LEU K 243
 None
 1.17A 3tm4A-5hnzK:
undetectable		 3tm4A-5hnzK:
21.78
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.
5kqw 4-AMINOBUTYRATE
TRANSAMINASE

(Pseudomonas) 		PF00202
(Aminotran_3) 		5 ALA A  56
LEU A 433
GLY A  64
ALA A 335
ASN A  62
 None
 1.24A 3tm4A-5kqwA:
undetectable		 3tm4A-5kqwA:
21.18
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.
5kr6 4-AMINOBUTYRATE
TRANSAMINASE

(Pseudomonas) 		PF00202
(Aminotran_3) 		5 ALA A  56
LEU A 433
GLY A  64
ALA A 335
ASN A  62
 None
 1.26A 3tm4A-5kr6A:
undetectable		 3tm4A-5kr6A:
23.37
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.
5lh9 OMEGA TRANSAMINASE

(Pseudomonas sp.) 		PF00202
(Aminotran_3) 		5 LEU A 427
GLY A  59
HIS A  60
ALA A 331
ASN A  57
 None
 1.15A 3tm4A-5lh9A:
3.2		 3tm4A-5lh9A:
22.36
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.
5ly6 PNEUMOLYSIN

(Streptococcus
pneumoniae) 		PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C) 		5 ALA B  91
LEU B  89
GLY B  73
ALA B 126
PRO B 118
 None
 1.30A 3tm4A-5ly6B:
undetectable		 3tm4A-5ly6B:
23.34
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.
5mog PHYTOENE
DEHYDROGENASE,
CHLOROPLASTIC/CHROMO
PLASTIC

(Oryza sativa) 		PF01593
(Amino_oxidase) 		5 ALA A 544
GLY A 116
LYS A 121
TYR A 122
LEU A 175
 FAD  A 600 (-3.2A)
None
None
None
None
 1.23A 3tm4A-5mogA:
4.4		 3tm4A-5mogA:
23.45
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.
5neu INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 ALA A 361
LEU A 391
GLY A 371
TYR A 364
ALA A 397
 None
 1.30A 3tm4A-5neuA:
undetectable		 3tm4A-5neuA:
20.77
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.
5nnb ISATIN HYDROLASE A

(Labrenzia
aggregata) 		no annotation 5 ALA A 206
LEU A 176
HIS A 211
ALA A 236
LEU A 221
 None
 1.33A 3tm4A-5nnbA:
undetectable		 3tm4A-5nnbA:
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.
5ofu FBP PROTEIN

(Leishmania
major) 		PF00316
(FBPase) 		5 ALA A 171
LEU A 192
GLY A 174
ALA A  49
LEU A  73
 None
 1.28A 3tm4A-5ofuA:
undetectable		 3tm4A-5ofuA:
23.46
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.
5u2g PENICILLIN-BINDING
PROTEIN 1A

(Haemophilus
influenzae) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB) 		5 LEU A 547
GLY A 451
ALA A 741
PRO A 456
LEU A 697
 None
 0.99A 3tm4A-5u2gA:
undetectable		 3tm4A-5u2gA:
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.
5uqr 2-METHYLCITRATE
SYNTHASE,
MITOCHONDRIAL

(Aspergillus
fumigatus) 		no annotation 5 ALA A 309
LEU A 307
HIS A 266
ALA A 214
LEU A 245
 None
 1.35A 3tm4A-5uqrA:
undetectable		 3tm4A-5uqrA:
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.
5wya ISOLEUCINE
2-EPIMERASE

(Lactobacillus
buchneri) 		PF00202
(Aminotran_3) 		6 ALA A  52
LEU A 413
GLY A  60
HIS A  61
ALA A 319
ASN A  58
 None
 1.14A 3tm4A-5wyaA:
2.5		 3tm4A-5wyaA:
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.
5xtc NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2

(Homo sapiens) 		no annotation 5 GLY i 107
TYR i  59
ALA i  66
PRO i 138
LEU i  33
 None
 1.25A 3tm4A-5xtci:
undetectable		 3tm4A-5xtci:
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.
5xvi GLUTAMATE
DEHYDROGENASE

(Aspergillus
niger) 		no annotation 5 ALA A 342
LEU A 437
GLY A 375
ALA A 384
LEU A 408
 None
 1.20A 3tm4A-5xviA:
5.1		 3tm4A-5xviA:
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.
5zln TOLL-LIKE RECEPTOR 9

(Mus musculus) 		no annotation 5 HIS A 274
LEU A 273
GLY A 236
HIS A 276
LEU A 307
 SO4  A 917 (-3.9A)
None
None
None
None
 1.12A 3tm4A-5zlnA:
undetectable		 3tm4A-5zlnA:
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.
6g72 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2

(Mus musculus) 		no annotation 5 LEU N 191
GLY N 107
ALA N  66
PRO N 138
LEU N  33
 None
 1.21A 3tm4A-6g72N:
undetectable		 3tm4A-6g72N:
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.
1ae9 LAMBDA INTEGRASE

(Escherichia
virus Lambda) 		PF00589
(Phage_integrase) 		4 SER A 281
THR A 284
GLU A 218
ASP A 223
 None
 1.40A 3tm4A-1ae9A:
undetectable		 3tm4A-1ae9A:
22.65
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.
1boo PROTEIN (N-4
CYTOSINE-SPECIFIC
METHYLTRANSFERASE
PVU II)

(Proteus
vulgaris) 		PF01555
(N6_N4_Mtase) 		5 HIS A 246
SER A 276
THR A 278
GLU A 294
ASP A  34
 SAH  A 401 (-4.0A)
SAH  A 401 (-2.7A)
SAH  A 401 (-4.0A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.0A)
 0.49A 3tm4A-1booA:
undetectable		 3tm4A-1booA:
24.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cfr RESTRICTION
ENDONUCLEASE

(Citrobacter
freundii) 		PF07832
(Bse634I) 		4 HIS A 203
SER A 206
THR A 249
ASP A 101
 None
 1.43A 3tm4A-1cfrA:
undetectable		 3tm4A-1cfrA:
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.
1d2o COLLAGEN ADHESIN

(Staphylococcus
aureus) 		PF05738
(Cna_B) 		4 SER A 560
THR A 572
GLU A 603
ASP A 612
 None
 1.43A 3tm4A-1d2oA:
undetectable		 3tm4A-1d2oA:
19.84
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.
1d2p COLLAGEN ADHESIN

(Staphylococcus
aureus) 		PF05738
(Cna_B) 		4 SER A 560
THR A 572
GLU A 603
ASP A 612
 None
 1.40A 3tm4A-1d2pA:
undetectable		 3tm4A-1d2pA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d2p COLLAGEN ADHESIN

(Staphylococcus
aureus) 		PF05738
(Cna_B) 		4 SER A 747
THR A 759
GLU A 790
ASP A 799
 None
 1.44A 3tm4A-1d2pA:
undetectable		 3tm4A-1d2pA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d6h CHALCONE SYNTHASE

(Medicago sativa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 SER A 386
THR A 360
GLU A 238
ASP A 227
 None
 1.07A 3tm4A-1d6hA:
2.5		 3tm4A-1d6hA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e09 PRU AV 1

(Prunus avium) 		PF00407
(Bet_v_1) 		4 HIS A 119
SER A 118
GLU A 101
ASP A  75
 None
 1.38A 3tm4A-1e09A:
undetectable		 3tm4A-1e09A:
18.31
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.
1g43 SCAFFOLDING PROTEIN

([Clostridium]
cellulolyticum) 		PF00942
(CBM_3) 		4 SER A 111
THR A  29
GLU A 113
ASP A  60
 None
 1.43A 3tm4A-1g43A:
undetectable		 3tm4A-1g43A:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ia7 CELLULASE CEL9M

([Clostridium]
cellulolyticum) 		PF00759
(Glyco_hydro_9) 		4 SER A 159
THR A 163
GLU A 157
ASP A 258
 None
None
None
EDO  A1337 (-4.4A)
 1.30A 3tm4A-1ia7A:
undetectable		 3tm4A-1ia7A:
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.
1jov HI1317

(Haemophilus
influenzae) 		PF01263
(Aldose_epim) 		4 HIS A 218
SER A 263
THR A 136
GLU A 265
 None
 1.29A 3tm4A-1jovA:
undetectable		 3tm4A-1jovA:
22.19
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.
1mb9 BETA-LACTAM
SYNTHETASE

(Streptomyces
clavuligerus) 		PF00733
(Asn_synthase)
PF13537
(GATase_7) 		4 SER A 455
THR A 302
GLU A 325
ASP A 320
 None
 1.42A 3tm4A-1mb9A:
4.2		 3tm4A-1mb9A:
21.78
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.
1nr0 ACTIN INTERACTING
PROTEIN 1

(Caenorhabditis
elegans) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		4 HIS A  93
THR A  56
GLU A  53
ASP A  31
 None
 1.38A 3tm4A-1nr0A:
undetectable		 3tm4A-1nr0A:
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.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		4 SER A  68
THR A  70
GLU A  88
ASP A 113
 SAM  A 301 ( 3.8A)
SAM  A 301 (-3.1A)
SAM  A 301 (-2.4A)
SAM  A 301 (-3.6A)
 0.64A 3tm4A-1nt2A:
14.4		 3tm4A-1nt2A:
19.20
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.
1pp1 P40 NUCLEOPROTEIN

(Borna disease
virus) 		PF06407
(BDV_P40) 		4 HIS X  44
SER X  99
THR X  73
GLU X  98
 None
 1.40A 3tm4A-1pp1X:
undetectable		 3tm4A-1pp1X:
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.
1tf0 SERUM ALBUMIN

(Homo sapiens) 		PF00273
(Serum_albumin) 		4 SER A  65
THR A  68
GLU A   6
ASP A 255
 None
 1.44A 3tm4A-1tf0A:
undetectable		 3tm4A-1tf0A:
21.31
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.
1u0u DIHYDROPINOSYLVIN
SYNTHASE

(Pinus
sylvestris) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 SER A 389
THR A 363
GLU A 241
ASP A 230
 None
 1.17A 3tm4A-1u0uA:
undetectable		 3tm4A-1u0uA:
23.23
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.
1wln AFADIN

(Mus musculus) 		PF00498
(FHA) 		4 HIS A 107
SER A 106
GLU A  16
ASP A  26
 None
 1.43A 3tm4A-1wlnA:
undetectable		 3tm4A-1wlnA:
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.
1x5h NEOGENIN

(Homo sapiens) 		PF00041
(fn3) 		4 HIS A  38
SER A  26
GLU A  28
ASP A 119
 None
 1.40A 3tm4A-1x5hA:
undetectable		 3tm4A-1x5hA:
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.
1yhp CALCIUM-DEPENDENT
CELL ADHESION
MOLECULE-1

(Dictyostelium
discoideum) 		PF08964
(Crystall_3)
PF14564
(Membrane_bind) 		4 HIS A 153
SER A 170
THR A 190
ASP A 164
 None
 1.29A 3tm4A-1yhpA:
undetectable		 3tm4A-1yhpA:
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.
1z1e STILBENE SYNTHASE

(Arachis
hypogaea) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 SER A 386
THR A 360
GLU A 238
ASP A 227
 None
 0.92A 3tm4A-1z1eA:
undetectable		 3tm4A-1z1eA:
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.
1zg4 BETA-LACTAMASE TEM

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		4 SER A 124
THR A 128
GLU A 121
ASP A 115
 None
 1.37A 3tm4A-1zg4A:
undetectable		 3tm4A-1zg4A:
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.
1zr6 GLUCOOLIGOSACCHARIDE
OXIDASE

(Sarocladium
strictum) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 HIS A 127
SER A 126
THR A 148
ASP A 290
 None
 1.16A 3tm4A-1zr6A:
undetectable		 3tm4A-1zr6A:
23.35
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.
1zsw GLYOXALASE FAMILY
PROTEIN

(Bacillus cereus) 		PF00903
(Glyoxalase) 		4 HIS A 139
SER A  55
THR A  53
ASP A 230
 None
 1.44A 3tm4A-1zswA:
undetectable		 3tm4A-1zswA:
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.
2d52 PENTAKETIDE CHROMONE
SYNTHASE

(Aloe
arborescens) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 HIS A 401
SER A 402
THR A 376
ASP A 240
 None
 1.41A 3tm4A-2d52A:
undetectable		 3tm4A-2d52A:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d52 PENTAKETIDE CHROMONE
SYNTHASE

(Aloe
arborescens) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 SER A 402
THR A 376
GLU A 251
ASP A 240
 None
 1.44A 3tm4A-2d52A:
undetectable		 3tm4A-2d52A:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN

(Homo sapiens) 		PF01269
(Fibrillarin) 		4 SER A 171
THR A 173
GLU A 192
ASP A 217
 None
None
MTA  A4001 (-2.7A)
MTA  A4001 (-3.4A)
 1.15A 3tm4A-2ipxA:
14.6		 3tm4A-2ipxA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 HIS X 451
THR X   6
GLU X 450
ASP X  54
 2MD  X 801 (-4.7A)
None
None
None
 1.41A 3tm4A-2iv2X:
undetectable		 3tm4A-2iv2X:
20.69
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.
2oga TRANSAMINASE

(Streptomyces
venezuelae) 		PF01041
(DegT_DnrJ_EryC1) 		4 HIS A 317
SER A 350
THR A 294
ASP A  14
 None
 1.23A 3tm4A-2ogaA:
2.2		 3tm4A-2ogaA:
23.43
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.
2okx RHAMNOSIDASE B

(Bacillus sp.
GL1) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 HIS A 862
SER A 859
THR A 857
GLU A 572
 GOL  A3007 (-4.1A)
None
None
GOL  A3026 ( 2.9A)
 1.26A 3tm4A-2okxA:
undetectable		 3tm4A-2okxA:
17.15
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.
2ovl PUTATIVE RACEMASE

(Streptomyces
coelicolor) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 HIS A 299
THR A 297
GLU A 224
ASP A 229
 None
None
NA  A 400 (-3.3A)
None
 1.42A 3tm4A-2ovlA:
undetectable		 3tm4A-2ovlA:
24.47
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.
2pop MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE
7-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF00481
(PP2C) 		4 HIS A  47
SER A  46
GLU A  45
ASP A  40
 None
 1.44A 3tm4A-2popA:
undetectable		 3tm4A-2popA:
22.28
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.
2qf9 PUTATIVE SECRETED
PROTEIN

(Streptomyces
coelicolor) 		PF03713
(DUF305) 		4 HIS A 209
THR A 155
GLU A 134
ASP A 132
 None
 1.31A 3tm4A-2qf9A:
undetectable		 3tm4A-2qf9A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qlp DEOXYCYTIDINE
TRIPHOSPHATE
DEAMINASE

(Mycobacterium
tuberculosis) 		PF00692
(dUTPase) 		4 HIS A 125
SER A  83
THR A 127
ASP A  23
 None
1PE  A 163 ( 4.6A)
1PE  A 163 ( 4.2A)
None
 1.40A 3tm4A-2qlpA:
undetectable		 3tm4A-2qlpA:
18.98
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.
2w2d BOTULINUM NEUROTOXIN
A HEAVY CHAIN

(Clostridium
botulinum) 		PF07952
(Toxin_trans) 		4 SER B 619
THR B 615
GLU B 620
ASP B 650
 GOL  B1874 ( 4.2A)
GOL  B1874 (-4.8A)
None
None
 1.42A 3tm4A-2w2dB:
undetectable		 3tm4A-2w2dB:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zbv UNCHARACTERIZED
CONSERVED PROTEIN

(Thermotoga
maritima) 		PF01887
(SAM_adeno_trans) 		4 HIS A  48
SER A  47
THR A  97
ASP A  56
 None
 1.15A 3tm4A-2zbvA:
undetectable		 3tm4A-2zbvA:
21.48
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.
3a5r BENZALACETONE
SYNTHASE

(Rheum palmatum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 SER A 379
THR A 353
GLU A 231
ASP A 220
 None
 0.84A 3tm4A-3a5rA:
undetectable		 3tm4A-3a5rA:
25.24
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.
3acp WD REPEAT-CONTAINING
PROTEIN YGL004C

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 SER A 349
THR A 333
GLU A 384
ASP A  95
 None
 1.42A 3tm4A-3acpA:
undetectable		 3tm4A-3acpA:
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.
3awk CHALCONE
SYNTHASE-LIKE
POLYKETIDE SYNTHASE

(Huperzia
serrata) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 SER A 396
THR A 370
GLU A 248
ASP A 237
 None
 0.92A 3tm4A-3awkA:
undetectable		 3tm4A-3awkA:
22.99
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.
3cp8 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA

(Chlorobaculum
tepidum) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		4 SER A 309
THR A 197
GLU A 277
ASP A 256
 FAD  A 622 ( 4.4A)
None
None
None
 1.29A 3tm4A-3cp8A:
3.4		 3tm4A-3cp8A:
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.
3e2d ALKALINE PHOSPHATASE

(Vibrio sp.
G15-21) 		PF00245
(Alk_phosphatase) 		4 HIS A 316
SER A  65
THR A 118
ASP A 443
 ZN  A 602 ( 3.2A)
ZN  A 602 (-3.5A)
MG  A 603 (-3.0A)
None
 1.21A 3tm4A-3e2dA:
2.0		 3tm4A-3e2dA:
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.
3exh PYRUVATE
DEHYDROGENASE E1
COMPONENT SUBUNIT
BETA, MITOCHONDRIAL

(Homo sapiens) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 HIS B 212
SER B 211
GLU B 263
ASP B 299
 None
 1.44A 3tm4A-3exhB:
2.2		 3tm4A-3exhB:
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.
3gwf CYCLOHEXANONE
MONOOXYGENASE

(Rhodococcus sp.
HI-31) 		PF00743
(FMO-like) 		4 SER A 440
THR A 435
GLU A 442
ASP A  70
 None
 1.22A 3tm4A-3gwfA:
3.4		 3tm4A-3gwfA:
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.
3kqg C-TYPE LECTIN DOMAIN
FAMILY 4 MEMBER K

(Homo sapiens) 		PF00059
(Lectin_C) 		4 SER A 218
THR A 215
GLU A 220
ASP A 269
 SER  A 218 ( 0.0A)
THR  A 215 ( 0.8A)
GLU  A 220 ( 0.6A)
ASP  A 269 ( 0.5A)
 1.34A 3tm4A-3kqgA:
undetectable		 3tm4A-3kqgA:
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.
3l43 DYNAMIN-3

(Homo sapiens) 		PF00350
(Dynamin_N)
PF01031
(Dynamin_M) 		4 HIS A 128
THR A  75
GLU A  79
ASP A  93
 None
 1.28A 3tm4A-3l43A:
undetectable		 3tm4A-3l43A:
24.48
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.
3lg5 EPI-ISOZIZAENE
SYNTHASE

(Streptomyces
coelicolor) 		no annotation 4 HIS A 102
THR A 180
GLU A 253
ASP A 241
 None
None
MG  A 700 ( 4.9A)
None
 1.21A 3tm4A-3lg5A:
undetectable		 3tm4A-3lg5A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3on5 BH1974 PROTEIN

(Bacillus
halodurans) 		PF02625
(XdhC_CoxI)
PF13478
(XdhC_C) 		4 HIS A  24
SER A  97
THR A  73
GLU A  33
 None
 1.38A 3tm4A-3on5A:
4.4		 3tm4A-3on5A:
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.
3ov3 CURCUMIN SYNTHASE

(Curcuma longa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 SER A 386
THR A 360
GLU A 238
ASP A 227
 None
 1.16A 3tm4A-3ov3A:
2.7		 3tm4A-3ov3A:
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.
3p54 ENVELOPE
GLYCOPROTEIN

(Japanese
encephalitis
virus) 		PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C) 		4 HIS A 144
THR A 147
GLU A 373
ASP A 316
 None
 1.28A 3tm4A-3p54A:
undetectable		 3tm4A-3p54A:
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.
3pqd L-LACTATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 HIS A 178
THR A 149
GLU A 182
ASP A 216
 None
 0.96A 3tm4A-3pqdA:
8.1		 3tm4A-3pqdA:
23.51
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.
3qt3 PUTATIVE
UNCHARACTERIZED
PROTEIN CPE0426

(Clostridium
perfringens) 		PF06824
(Glyco_hydro_125) 		4 HIS A 350
SER A 348
GLU A 393
ASP A 406
 None
 1.26A 3tm4A-3qt3A:
undetectable		 3tm4A-3qt3A:
23.49
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.
3r0o CARNITINYL-COA
DEHYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		4 HIS A  89
THR A  41
GLU A  48
ASP A 103
 None
 1.40A 3tm4A-3r0oA:
undetectable		 3tm4A-3r0oA:
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.
3rx8 CELLULASE

(Alicyclobacillus
acidocaldarius) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		4 HIS A 507
SER A 510
THR A 513
ASP A 468
 None
 1.34A 3tm4A-3rx8A:
undetectable		 3tm4A-3rx8A:
20.46
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.
3s0m OXALATE
DECARBOXYLASE OXDC

(Bacillus
subtilis) 		PF00190
(Cupin_1) 		4 HIS A  95
THR A 113
GLU A 101
ASP A 156
 MN  A 500 ( 3.3A)
None
MN  A 500 (-2.7A)
None
 1.36A 3tm4A-3s0mA:
undetectable		 3tm4A-3s0mA:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sgg HYPOTHETICAL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF14323
(GxGYxYP_C)
PF16216
(GxGYxYP_N) 		4 SER A 159
THR A 150
GLU A 200
ASP A 218
 None
 1.43A 3tm4A-3sggA:
undetectable		 3tm4A-3sggA:
21.68
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.
3sqz PUTATIVE
HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Streptococcus
mutans) 		PF00195
(Chal_sti_synt_N)
PF08540
(HMG_CoA_synt_C) 		4 SER A 113
THR A 279
GLU A 109
ASP A 181
 None
 1.22A 3tm4A-3sqzA:
undetectable		 3tm4A-3sqzA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sz4 EXONUCLEASE

(Laribacter
hongkongensis) 		PF09588
(YqaJ) 		4 SER A  19
THR A  17
GLU A 112
ASP A 151
 D5M  A 218 (-2.2A)
D5M  A 218 (-3.4A)
MG  A 217 (-3.0A)
None
 1.18A 3tm4A-3sz4A:
undetectable		 3tm4A-3sz4A:
21.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tm5 CRYSTAL STRUCTURE OF
TRM14

(Pyrococcus
furiosus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 HIS A 198
SER A 228
THR A 230
GLU A 248
ASP A 276
 SFG  A 401 (-3.8A)
SFG  A 401 (-3.6A)
SFG  A 401 (-3.3A)
SFG  A 401 (-2.6A)
SFG  A 401 (-3.4A)
 0.36A 3tm4A-3tm5A:
54.6		 3tm4A-3tm5A:
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.
3tsy FUSION PROTEIN
4-COUMARATE--COA
LIGASE 1,
RESVERATROL SYNTHASE

(Arabidopsis
thaliana;
Vitis vinifera) 		PF00195
(Chal_sti_synt_N)
PF00501
(AMP-binding)
PF02797
(Chal_sti_synt_C)
PF13193
(AMP-binding_C) 		4 HIS A 972
SER A 973
THR A 947
ASP A 814
 None
 1.13A 3tm4A-3tsyA:
3.1		 3tm4A-3tsyA:
17.36
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.
3ubh NEURAL-CADHERIN

(Drosophila
melanogaster) 		PF00028
(Cadherin) 		4 SER A 737
THR A 728
GLU A 731
ASP A 680
 None
 1.29A 3tm4A-3ubhA:
undetectable		 3tm4A-3ubhA:
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.
3vn4 A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 13

(Homo sapiens) 		PF00090
(TSP_1) 		4 SER A 612
THR A 615
GLU A 641
ASP A 672
 None
 1.35A 3tm4A-3vn4A:
undetectable		 3tm4A-3vn4A:
20.05
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.
3vsj 2-AMINO-5-CHLOROPHEN
OL 1,6-DIOXYGENASE
BETA SUBUNIT

(Comamonas
testosteroni) 		PF02900
(LigB) 		4 HIS B  62
SER B  60
THR B 131
GLU B 251
 FE2  B 401 ( 3.4A)
None
None
FE2  B 401 ( 2.5A)
 1.27A 3tm4A-3vsjB:
undetectable		 3tm4A-3vsjB:
22.92
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.
3vxm C1-28 TCR BETA CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 HIS E  29
SER E  94
THR E  96
GLU E 101
 None
 1.31A 3tm4A-3vxmE:
undetectable		 3tm4A-3vxmE:
19.69
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.
3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE

(Citrus x
microcarpa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 HIS A 385
SER A 386
THR A 360
ASP A 227
 HIS  A 385 ( 1.0A)
SER  A 386 ( 0.0A)
THR  A 360 ( 0.8A)
ASP  A 227 ( 0.6A)
 1.14A 3tm4A-3wd7A:
undetectable		 3tm4A-3wd7A:
24.83
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.
3wst PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Caenorhabditis
elegans) 		PF13649
(Methyltransf_25) 		4 HIS A 300
THR A 144
GLU A 140
ASP A  70
 None
None
SAH  A 701 (-4.4A)
SAH  A 701 ( 4.4A)
 1.37A 3tm4A-3wstA:
9.1		 3tm4A-3wstA:
20.57
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.
4c00 TRANSLOCATION AND
ASSEMBLY MODULE TAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA)
PF17243
(POTRA_TamA_1) 		4 SER A 522
THR A 536
GLU A 524
ASP A 528
 MC3  A 603 (-2.6A)
MC3  A 603 (-3.2A)
None
None
 1.09A 3tm4A-4c00A:
undetectable		 3tm4A-4c00A:
22.75
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.
4c4a PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Mus musculus) 		PF06325
(PrmA) 		4 HIS A 313
THR A 148
GLU A 144
ASP A  70
 None
None
SAH  A1689 (-4.4A)
SAH  A1689 ( 4.4A)
 1.39A 3tm4A-4c4aA:
9.8		 3tm4A-4c4aA:
21.00
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.
4d7k SAM-DEPENDENT
METHYLTRANSFERASES

(Streptomyces
davaonensis) 		PF00891
(Methyltransf_2) 		4 SER A  83
THR A  48
GLU A  85
ASP A  91
 None
 1.39A 3tm4A-4d7kA:
14.2		 3tm4A-4d7kA:
23.54
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.
4df3 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Aeropyrum
pernix) 		PF01269
(Fibrillarin) 		4 SER A  88
THR A  90
GLU A 109
ASP A 134
 None
SAM  A 301 (-3.9A)
SAM  A 301 (-2.9A)
SAM  A 301 (-3.3A)
 0.48A 3tm4A-4df3A:
8.1		 3tm4A-4df3A:
21.96
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.
4eys MCCC FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF02016
(Peptidase_S66) 		4 SER A 176
THR A 178
GLU A  23
ASP A 134
 None
None
AMP  A 401 (-2.9A)
None
 1.20A 3tm4A-4eysA:
undetectable		 3tm4A-4eysA:
22.82
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.
4f9u CG32412

(Drosophila
melanogaster) 		PF04389
(Peptidase_M28) 		4 SER A 181
THR A 177
GLU A 171
ASP A 301
 None
None
ZN  A 401 ( 2.1A)
None
 1.37A 3tm4A-4f9uA:
undetectable		 3tm4A-4f9uA:
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.
4glk ABIQ

(Lactococcus
lactis) 		PF13958
(ToxN_toxin) 		4 SER A 166
THR A 163
GLU A  99
ASP A  10
 None
 1.36A 3tm4A-4glkA:
undetectable		 3tm4A-4glkA:
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.
4h3z TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Paraburkholderia
phymatum) 		PF01746
(tRNA_m1G_MT) 		4 SER A 136
THR A  97
GLU A 134
ASP A 128
 SAH  A 301 (-3.4A)
None
None
None
 1.22A 3tm4A-4h3zA:
undetectable		 3tm4A-4h3zA:
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.
4h7u PYRANOSE
DEHYDROGENASE

(Leucoagaricus
meleagris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 SER A 248
THR A 254
GLU A 273
ASP A  15
 None
 1.36A 3tm4A-4h7uA:
3.3		 3tm4A-4h7uA:
19.94
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.
4ka8 OLIGOPEPTIDASE A

(Arabidopsis
thaliana) 		PF01432
(Peptidase_M3) 		4 HIS A 326
THR A 432
GLU A 440
ASP A 444
 None
 1.24A 3tm4A-4ka8A:
undetectable		 3tm4A-4ka8A:
20.42
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.
4rsi STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
4

(Saccharomyces
cerevisiae) 		PF06470
(SMC_hinge) 		4 HIS B 873
THR B 871
GLU B 877
ASP B 884
 None
 1.27A 3tm4A-4rsiB:
undetectable		 3tm4A-4rsiB:
23.04
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.
4s3j CORTICAL-LYTIC
ENZYME

(Bacillus cereus) 		PF00704
(Glyco_hydro_18)
PF01476
(LysM) 		4 SER A 103
THR A 425
GLU A 105
ASP A 213
 None
 1.33A 3tm4A-4s3jA:
undetectable		 3tm4A-4s3jA:
23.49
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.
4u1d EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT A

(Saccharomyces
cerevisiae) 		no annotation 4 HIS C 484
THR C 481
GLU C 466
ASP C 464
 None
 1.28A 3tm4A-4u1dC:
undetectable		 3tm4A-4u1dC:
21.53
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.
4uer EIF3A

(Lachancea
kluyveri) 		no annotation 4 HIS a 484
THR a 481
GLU a 466
ASP a 464
 None
 1.42A 3tm4A-4uera:
undetectable		 3tm4A-4uera:
16.74
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.
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		4 SER A 241
THR A 238
GLU A 244
ASP A 281
 None
 1.06A 3tm4A-4wziA:
undetectable		 3tm4A-4wziA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
PUTATIVE
OXIDOREDUCTASE
IRON-SULFUR SUBUNIT

(Sulfurisphaera
tokodaii;
Sulfurisphaera
tokodaii) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
PF00111
(Fer2)
PF01799
(Fer2_2) 		4 HIS A 222
THR A 185
GLU A 248
ASP C  48
 None
 1.44A 3tm4A-4zohA:
undetectable		 3tm4A-4zohA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ap9 LIPASE

(Thermomyces
lanuginosus) 		PF01764
(Lipase_3)
PF03893
(Lipase3_N) 		4 SER A 217
THR A 186
GLU A 219
ASP A 201
 None
 1.35A 3tm4A-5ap9A:
undetectable		 3tm4A-5ap9A:
20.79
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.
5fdn PHOSPHOENOLPYRUVATE
CARBOXYLASE 3

(Arabidopsis
thaliana) 		PF00311
(PEPcase) 		4 HIS A 650
THR A 692
GLU A 697
ASP A 149
 None
 1.20A 3tm4A-5fdnA:
undetectable		 3tm4A-5fdnA:
17.78
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.
5ful PROTEIN ARGININE
N-METHYLTRANSFERASE
2

(Mus musculus) 		PF05175
(MTS) 		4 HIS A 381
THR A 227
GLU A 223
ASP A 155
 None
None
CA  A1448 (-4.2A)
SAH  A1446 ( 4.5A)
 1.10A 3tm4A-5fulA:
8.8		 3tm4A-5fulA:
19.21
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.
5gin FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Sulfolobus
solfataricus) 		PF01269
(Fibrillarin) 		4 SER E  87
THR E  89
GLU E 108
ASP E 133
 A  I   6 ( 3.2A)
A  I   6 ( 3.5A)
SAH  E 301 (-3.0A)
SAH  E 301 (-3.5A)
 0.94A 3tm4A-5ginE:
14.5		 3tm4A-5ginE:
21.96
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.
5hfj ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA)

(Helicobacter
pylori) 		PF01555
(N6_N4_Mtase) 		4 SER A 198
THR A 200
GLU A 216
ASP A   8
 SAM  A 301 (-2.5A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.4A)
 0.43A 3tm4A-5hfjA:
undetectable		 3tm4A-5hfjA:
23.36
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae) 		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 HIS B 648
THR B 736
GLU B 650
ASP B  29
 None
 1.25A 3tm4A-5ip9B:
undetectable		 3tm4A-5ip9B:
16.19
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.
5m01 PROTEIN
TRAV14-1,T-CELL
RECEPTOR ALPHA CHAIN
C REGION

(Mus musculus) 		no annotation 4 SER G  87
THR G  25
GLU G  22
ASP G 174
 None
 1.42A 3tm4A-5m01G:
undetectable		 3tm4A-5m01G:
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.
5m10 CYCLOHEXANONE
MONOOXYGENASE FROM
THERMOCRISPUM
MUNICIPALE

(Thermocrispum
municipale) 		PF07992
(Pyr_redox_2) 		4 SER A 440
THR A 435
GLU A 442
ASP A  70
 None
 1.29A 3tm4A-5m10A:
undetectable		 3tm4A-5m10A:
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.
5mrj BETA-XYLANASE

(Acremonium
chrysogenum) 		no annotation 4 HIS A 116
THR A 123
GLU A 111
ASP A 334
 None
 1.24A 3tm4A-5mrjA:
2.2		 3tm4A-5mrjA:
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.
5nd4 TUBULIN ALPHA CHAIN

(Bos taurus) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		4 HIS A 107
SER A 151
THR A 190
GLU A 155
 None
 1.25A 3tm4A-5nd4A:
3.9		 3tm4A-5nd4A:
22.76
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.
5nkz PEROXIN 22

(Ogataea angusta) 		no annotation 4 HIS D 114
SER D 111
THR D 108
GLU D 139
 None
 1.40A 3tm4A-5nkzD:
undetectable		 3tm4A-5nkzD:
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.
5o6v ENVELOPE PROTEIN

(Tick-borne
encephalitis
virus) 		no annotation 4 HIS A 146
SER A  40
THR A  34
ASP A  46
 None
 0.97A 3tm4A-5o6vA:
undetectable		 3tm4A-5o6vA:
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.
5tch TRYPTOPHAN SYNTHASE
BETA CHAIN

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		4 HIS B 100
SER B  99
THR B  97
ASP B 319
 LLP  B 101 ( 3.5A)
LLP  B 101 ( 2.9A)
None
None
 1.43A 3tm4A-5tchB:
2.5		 3tm4A-5tchB:
22.84
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.
5uc5 CHS2 CHALCONE
SYNTHASE

(Malus domestica) 		no annotation 4 SER A 386
THR A 360
GLU A 238
ASP A 227
 None
 0.98A 3tm4A-5uc5A:
2.6		 3tm4A-5uc5A:
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.
5v1w GLYCOSIDE HYDROLASE

(Bacillus
halodurans) 		PF03639
(Glyco_hydro_81) 		4 HIS A 315
SER A 579
THR A 576
ASP A 725
 PO4  A 808 (-3.8A)
PO4  A 808 (-4.9A)
None
None
 1.02A 3tm4A-5v1wA:
undetectable		 3tm4A-5v1wA:
19.19
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.
6aqo HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE

(Trypanosoma
brucei) 		no annotation 4 SER A  84
THR A  93
GLU A 147
ASP A 151
 None
None
None
45T  A 301 (-4.1A)
 1.27A 3tm4A-6aqoA:
2.0		 3tm4A-6aqoA:
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.
6co0 STYRYLPYRONE
SYNTHASE 1

(Piper
methysticum) 		no annotation 4 HIS A 386
SER A 387
THR A 361
ASP A 228
 None
 1.36A 3tm4A-6co0A:
undetectable		 3tm4A-6co0A:
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.
6cqb CHALCONE SYNTHASE

(Piper
methysticum) 		no annotation 4 HIS A 386
SER A 387
THR A 361
ASP A 228
 None
 1.03A 3tm4A-6cqbA:
3.1		 3tm4A-6cqbA:
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.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE

(Rhodothermus
marinus) 		no annotation 4 HIS B 652
SER B 610
THR B 613
ASP B 604
 None
 1.41A 3tm4A-6f0kB:
undetectable		 3tm4A-6f0kB:
undetectable