SIMILAR PATTERNS OF AMINO ACIDS FOR 2IGT_A_SAMA1001

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.
1bou 4,5-DIOXYGENASE
ALPHA CHAIN
4,5-DIOXYGENASE BETA
CHAIN

(Sphingomonas
paucimobilis;
Sphingomonas
paucimobilis) 		PF07746
(LigA)
PF02900
(LigB) 		5 PHE A  96
ALA B  15
ALA A 119
GLY B 203
TYR A  79
 None
 1.03A 2igtA-1bouA:
undetectable		 2igtA-1bouA:
18.67
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.
1cp2 NITROGENASE IRON
PROTEIN

(Clostridium
pasteurianum) 		PF00142
(Fer4_NifH) 		5 TYR A 121
ALA A 133
ALA A 141
GLY A  96
GLY A 130
 None
 1.12A 2igtA-1cp2A:
3.4		 2igtA-1cp2A:
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.
1dab P.69 PERTACTIN

(Bordetella
pertussis) 		PF03212
(Pertactin) 		5 ALA A 293
SER A 269
ALA A 211
GLY A 314
GLY A 292
 None
 1.09A 2igtA-1dabA:
undetectable		 2igtA-1dabA:
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.
1e3e ALCOHOL
DEHYDROGENASE, CLASS
II

(Mus musculus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 PHE A  93
ALA A 273
ALA A 298
GLY A 208
GLY A 203
 None
NAI  A 377 ( 3.9A)
None
None
NAI  A 377 (-3.4A)
 1.15A 2igtA-1e3eA:
5.4		 2igtA-1e3eA:
20.29
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.
1hcu ALPHA-1,2-MANNOSIDAS
E

(Trichoderma
reesei) 		PF01532
(Glyco_hydro_47) 		5 PHE A 452
ALA A 420
ALA A 417
GLY A 351
GLY A 349
 None
 1.03A 2igtA-1hcuA:
undetectable		 2igtA-1hcuA:
20.00
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.
1l9y FEZ-1 B-LACTAMASE

(Fluoribacter
gormanii) 		PF00753
(Lactamase_B) 		5 PHE A 165
ALA A  69
SER A  70
GLY A 220
GLY A 261
 None
 1.17A 2igtA-1l9yA:
undetectable		 2igtA-1l9yA:
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.
1lqa TAS PROTEIN

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		5 PHE A 141
ALA A  85
SER A  86
ALA A  50
GLY A 177
 NDP  A1400 ( 4.8A)
None
None
None
None
 1.08A 2igtA-1lqaA:
undetectable		 2igtA-1lqaA:
22.16
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.
1n8p CYSTATHIONINE
GAMMA-LYASE

(Saccharomyces
cerevisiae) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA A  15
ALA A  70
PRO A 184
GLY A  73
TYR A 185
 None
 0.96A 2igtA-1n8pA:
3.5		 2igtA-1n8pA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pjq SIROHEME SYNTHASE

(Salmonella
enterica) 		PF00590
(TP_methylase)
PF10414
(CysG_dimeriser)
PF13241
(NAD_binding_7)
PF14824
(Sirohm_synth_M) 		5 TYR A 339
ALA A 333
SER A 334
ALA A 338
GLY A 302
 None
None
None
None
ACT  A 505 (-3.0A)
 1.08A 2igtA-1pjqA:
6.0		 2igtA-1pjqA:
21.90
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.
1pn9 GLUTATHIONE
S-TRANSFERASE 1-6

(Anopheles
gambiae) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 PHE A 117
ALA A 164
ALA A 169
ALA A 161
GLY A 199
 None
 1.00A 2igtA-1pn9A:
undetectable		 2igtA-1pn9A:
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.
1szq 2-METHYLCITRATE
DEHYDRATASE

(Escherichia
coli) 		PF03972
(MmgE_PrpD) 		6 PHE A 283
SER A 275
ALA A  33
ALA A 151
PRO A 113
GLY A 156
 None
 1.49A 2igtA-1szqA:
undetectable		 2igtA-1szqA:
21.70
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.
1tdh NEI ENDONUCLEASE
VIII-LIKE 1

(Homo sapiens) 		PF01149
(Fapy_DNA_glyco)
PF06831
(H2TH)
PF09292
(Neil1-DNA_bind) 		5 PHE A  23
ALA A  10
SER A  11
ALA A  49
GLY A 245
 None
 1.09A 2igtA-1tdhA:
undetectable		 2igtA-1tdhA:
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.
1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT

(Klebsiella
oxytoca) 		PF02286
(Dehydratase_LU) 		5 ALA A 158
ALA A 142
ALA A 156
GLY A 193
GLY A 189
 None
 0.94A 2igtA-1uc4A:
undetectable		 2igtA-1uc4A:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1umb 2-OXO ACID
DEHYDROGENASE ALPHA
SUBUNIT
2-OXO ACID
DEHYDROGENASE BETA
SUBUNIT

(Thermus
thermophilus;
Thermus
thermophilus) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		6 PHE A 228
PHE A 189
ALA A 197
GLY B  65
GLY B  69
TYR A 184
 None
 1.41A 2igtA-1umbA:
2.8		 2igtA-1umbA:
22.89
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.
1wxx HYPOTHETICAL PROTEIN
TTHA1280

(Thermus
thermophilus) 		PF10672
(Methyltrans_SAM) 		5 PHE A 217
SER A 240
ALA A 243
ALA A 266
PRO A 288
 None
 0.48A 2igtA-1wxxA:
21.2		 2igtA-1wxxA:
24.13
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.
1y56 HYPOTHETICAL PROTEIN
PH1363

(Pyrococcus
horikoshii) 		PF07992
(Pyr_redox_2)
PF13510
(Fer2_4) 		5 TYR A 369
ALA A 121
ALA A 368
GLY A 348
GLY A 118
 None
None
None
ATP  A 801 (-3.1A)
None
 1.03A 2igtA-1y56A:
2.8		 2igtA-1y56A:
22.49
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.
1zjk MANNAN-BINDING
LECTIN SERINE
PROTEASE 2

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 SER A 633
ALA A 484
ALA A 636
GLY A 572
GLY A 631
 None
 1.14A 2igtA-1zjkA:
undetectable		 2igtA-1zjkA:
24.70
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.
2a3l AMP DEAMINASE

(Arabidopsis
thaliana) 		PF00962
(A_deaminase) 		5 TYR A 631
ALA A 637
ALA A 325
PRO A 617
GLY A 305
 None
 1.14A 2igtA-2a3lA:
undetectable		 2igtA-2a3lA:
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.
2as0 HYPOTHETICAL PROTEIN
PH1915

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF10672
(Methyltrans_SAM) 		6 PHE A 201
PHE A 225
TYR A 227
ALA A 252
ALA A 276
PRO A 298
 None
 1.03A 2igtA-2as0A:
22.5		 2igtA-2as0A:
26.30
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.
2as0 HYPOTHETICAL PROTEIN
PH1915

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF10672
(Methyltrans_SAM) 		5 PHE A 225
SER A 249
ALA A 252
ALA A 276
PRO A 298
 None
 0.64A 2igtA-2as0A:
22.5		 2igtA-2as0A:
26.30
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.
2aw5 NADP-DEPENDENT MALIC
ENZYME

(Homo sapiens) 		PF00390
(malic)
PF03949
(Malic_M) 		5 PHE A 430
ALA A 284
ALA A 405
GLY A 450
GLY A 452
 None
 1.16A 2igtA-2aw5A:
2.1		 2igtA-2aw5A:
23.80
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.
2azq CATECHOL
1,2-DIOXYGENASE

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		6 PHE A 224
ALA A 250
PRO A 107
GLY A  71
GLY A  76
TYR A 109
 None
 1.26A 2igtA-2azqA:
undetectable		 2igtA-2azqA:
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.
2dh3 4F2 CELL-SURFACE
ANTIGEN HEAVY CHAIN

(Homo sapiens) 		PF00128
(Alpha-amylase) 		5 ALA A 445
ALA A 442
ALA A 475
GLY A 448
GLY A 446
 None
 1.07A 2igtA-2dh3A:
undetectable		 2igtA-2dh3A:
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.
2e0p ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF12891
(Glyco_hydro_44) 		5 PHE A 335
ALA A 244
SER A 243
ALA A 204
GLY A 248
 None
 1.08A 2igtA-2e0pA:
undetectable		 2igtA-2e0pA:
20.45
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ALA A 460
ALA A 209
GLY A  34
GLY A 456
TYR A 171
 None
 1.08A 2igtA-2fjaA:
undetectable		 2igtA-2fjaA:
21.27
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 PHE A 205
ALA A  41
GLY A  34
GLY A 456
TYR A 171
 None
 1.15A 2igtA-2fjaA:
undetectable		 2igtA-2fjaA:
21.27
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.
2h88 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Gallus gallus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ALA A 106
ALA A  33
GLY A 396
GLY A  28
TYR A 374
 None
None
FAD  A1001 (-3.6A)
FAD  A1001 (-4.1A)
None
 1.04A 2igtA-2h88A:
undetectable		 2igtA-2h88A:
18.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2igt SAM DEPENDENT
METHYLTRANSFERASE

(Agrobacterium
fabrum) 		PF10672
(Methyltrans_SAM) 		12 PHE A 113
PHE A 140
TYR A 142
ALA A 162
SER A 163
ALA A 166
ALA A 191
PRO A 213
GLY A 216
GLY A 218
TRP A 224
TYR A 253
 FMT  A1013 ( 3.5A)
SAM  A1001 (-4.4A)
FMT  A1013 ( 4.7A)
SAM  A1001 (-3.5A)
ACY  A1008 ( 2.6A)
SAM  A1001 ( 3.9A)
SAM  A1001 (-3.6A)
SAM  A1001 (-3.2A)
SAM  A1001 (-3.5A)
SAM  A1001 (-3.7A)
None
SAM  A1001 (-4.7A)
 0.11A 2igtA-2igtA:
55.4		 2igtA-2igtA:
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.
2z0f PUTATIVE
PHOSPHOGLUCOMUTASE

(Thermus
thermophilus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 TYR A 413
ALA A 398
ALA A 309
GLY A 293
GLY A 395
 None
 1.00A 2igtA-2z0fA:
2.1		 2igtA-2z0fA:
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.
2z5l TYLACTONE SYNTHASE
STARTER MODULE AND
MODULES 1 & 2

(Streptomyces
fradiae) 		PF08659
(KR) 		5 ALA A 230
ALA A 228
ALA A 232
GLY A 448
GLY A 445
 None
 1.06A 2igtA-2z5lA:
2.4		 2igtA-2z5lA:
24.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z6i TRANS-2-ENOYL-ACP
REDUCTASE II

(Streptococcus
pneumoniae) 		PF03060
(NMO) 		5 ALA A  31
ALA A 197
ALA A  35
GLY A  39
GLY A  30
 None
 1.10A 2igtA-2z6iA:
undetectable		 2igtA-2z6iA:
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.
3a9v 4-COUMARATE--COA
LIGASE

(Populus
tomentosa) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ALA A  63
SER A  64
ALA A 165
ALA A  94
TYR A  50
 None
 1.06A 2igtA-3a9vA:
undetectable		 2igtA-3a9vA:
19.38
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.
3aqu AT4G19810

(Arabidopsis
thaliana) 		PF00704
(Glyco_hydro_18) 		5 TYR A 290
ALA A 238
PRO A 198
GLY A 188
GLY A 262
 FLC  A 356 (-4.6A)
None
None
None
None
 1.04A 2igtA-3aquA:
undetectable		 2igtA-3aquA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ay3 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Chromohalobacter
salexigens) 		PF01370
(Epimerase) 		5 PHE A 192
PHE A 107
ALA A  97
GLY A  71
GLY A  89
 None
 1.05A 2igtA-3ay3A:
5.2		 2igtA-3ay3A:
21.93
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.
3b40 PROBABLE DIPEPTIDASE

(Pseudomonas
aeruginosa) 		PF01244
(Peptidase_M19) 		5 ALA A 267
SER A 266
ALA A 263
ALA A 372
GLY A 297
 None
 1.15A 2igtA-3b40A:
undetectable		 2igtA-3b40A:
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.
3bcz PROTEIN MEMO1

(Homo sapiens) 		PF01875
(Memo) 		5 ALA A  19
SER A  20
ALA A  10
PRO A 138
GLY A  14
 None
 1.10A 2igtA-3bczA:
undetectable		 2igtA-3bczA:
18.81
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.
3bg2 DGTP
TRIPHOSPHOHYDROLASE

(Leeuwenhoekiella
blandensis) 		PF01966
(HD) 		5 ALA A 110
ALA A 112
GLY A  80
GLY A  76
TYR A 100
 None
 1.15A 2igtA-3bg2A:
undetectable		 2igtA-3bg2A:
20.80
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.
3bjz PHOSPHOHEPTOSE
ISOMERASE

(Pseudomonas
aeruginosa) 		PF13580
(SIS_2) 		5 ALA A 153
SER A 154
ALA A 143
GLY A 122
GLY A 149
 None
 1.09A 2igtA-3bjzA:
2.9		 2igtA-3bjzA:
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.
3eh2 PROTEIN TRANSPORT
PROTEIN SEC24C

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		6 PHE A 111
PHE A 108
ALA A 103
ALA A 501
PRO A 107
GLY A 155
 None
None
ZN  A 800 ( 4.8A)
None
None
None
 1.32A 2igtA-3eh2A:
undetectable		 2igtA-3eh2A:
18.16
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.
3feg CHOLINE/ETHANOLAMINE
KINASE

(Homo sapiens) 		PF01633
(Choline_kinase) 		5 ALA A 346
SER A 343
ALA A 348
GLY A 274
GLY A 278
 None
 1.16A 2igtA-3fegA:
undetectable		 2igtA-3fegA:
24.69
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.
3g5s METHYLENETETRAHYDROF
OLATE--TRNA-(URACIL-
5-)-METHYLTRANSFERAS
E TRMFO

(Thermus
thermophilus) 		PF01134
(GIDA) 		5 ALA A  12
ALA A  47
ALA A 348
GLY A 342
GLY A 335
 FAD  A 444 (-3.4A)
None
None
FAD  A 444 (-3.1A)
FAD  A 444 (-3.3A)
 1.11A 2igtA-3g5sA:
undetectable		 2igtA-3g5sA:
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.
3h9p PUTATIVE
TRIPHOSPHORIBOSYL-DE
PHOSPHO-COA SYNTHASE

(Archaeoglobus
fulgidus) 		PF01874
(CitG) 		5 PHE A  43
PHE A  85
ALA A  50
ALA A 128
GLY A  64
 None
 1.09A 2igtA-3h9pA:
undetectable		 2igtA-3h9pA:
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.
3htz ALANYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF01411
(tRNA-synt_2c) 		5 PHE A  46
ALA A  61
PRO A  45
GLY A  42
GLY A  94
 None
 1.15A 2igtA-3htzA:
undetectable		 2igtA-3htzA:
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.
3lvu ABC TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
PROTEIN

(Ruegeria
pomeroyi) 		PF00496
(SBP_bac_5) 		5 ALA A 421
ALA A 335
PRO A 326
GLY A 432
GLY A 422
 None
None
GOL  A 604 ( 4.6A)
GOL  A 604 (-3.2A)
None
 1.16A 2igtA-3lvuA:
undetectable		 2igtA-3lvuA:
23.31
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.
3mq9 BONE MARROW STROMAL
ANTIGEN 2 FUSED TO
MALTOSE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8)
PF16716
(BST2) 		5 ALA A 269
ALA A  77
ALA A  52
GLY A  56
GLY A  54
 None
 1.08A 2igtA-3mq9A:
undetectable		 2igtA-3mq9A:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mvd REGULATOR OF
CHROMOSOME
CONDENSATION

(Drosophila
melanogaster) 		PF00415
(RCC1) 		5 PHE K 413
ALA K  81
SER K  80
ALA K 411
GLY K 351
 None
 1.14A 2igtA-3mvdK:
undetectable		 2igtA-3mvdK:
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.
3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Allochromatium
vinosum) 		PF00374
(NiFeSe_Hases) 		5 PHE B1552
ALA B1528
ALA B1031
GLY B1275
GLY B1277
 None
 1.11A 2igtA-3myrB:
undetectable		 2igtA-3myrB:
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.
3nm1 THIAMINE
BIOSYNTHETIC
BIFUNCTIONAL ENZYME

([Candida]
glabrata) 		PF02110
(HK)
PF02581
(TMP-TENI) 		5 ALA A 263
ALA A 488
PRO A 336
GLY A 483
TYR A 330
 None
 1.06A 2igtA-3nm1A:
undetectable		 2igtA-3nm1A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oyt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE I

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 233
SER A 335
ALA A 339
GLY A  50
TYR A 223
 None
 1.10A 2igtA-3oytA:
undetectable		 2igtA-3oytA:
21.50
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.
3qfh EPIDERMIN LEADER
PEPTIDE PROCESSING
SERINE PROTEASE EPIP

(Staphylococcus
aureus) 		PF00082
(Peptidase_S8) 		5 TYR A 438
ALA A 288
ALA A 349
GLY A 292
GLY A 289
 None
 0.94A 2igtA-3qfhA:
2.0		 2igtA-3qfhA:
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.
3qo7 SERYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Candida
albicans) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		5 PHE A 326
TYR A 327
ALA A 356
ALA A 145
TYR A 194
 None
 0.90A 2igtA-3qo7A:
undetectable		 2igtA-3qo7A:
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.
3uko ALCOHOL
DEHYDROGENASE
CLASS-3

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 PHE A 238
ALA A 209
ALA A 214
GLY A 204
TYR A 232
 None
None
None
NAD  A 402 (-3.3A)
None
 1.09A 2igtA-3ukoA:
7.1		 2igtA-3ukoA:
22.79
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.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L

(Escherichia
coli) 		PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM) 		5 PHE A 523
PHE A 546
TYR A 548
SER A 570
PRO A 617
 None
SAM  A 802 (-4.5A)
SAM  A 802 (-4.7A)
None
SAM  A 802 ( 4.6A)
 0.73A 2igtA-3v8vA:
0.0		 2igtA-3v8vA:
18.74
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.
3wme ATP-BINDING
CASSETTE, SUB-FAMILY
B, MEMBER 1

(Cyanidioschyzon
merolae) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 PHE A 258
PHE A 138
ALA A 133
GLY A 166
GLY A 171
 None
 1.01A 2igtA-3wmeA:
2.1		 2igtA-3wmeA:
20.87
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.
4a7k ALDOS-2-ULOSE
DEHYDRATASE

(Phanerochaete
chrysosporium) 		no annotation 5 PHE A 462
ALA A 494
ALA A 614
ALA A 451
GLY A 495
 None
 1.06A 2igtA-4a7kA:
undetectable		 2igtA-4a7kA:
17.88
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.
4bhd SERINE
HYDROXYMETHYLTRANSFE
RASE

(Methanocaldococcus
jannaschii) 		PF00464
(SHMT) 		5 SER A 123
ALA A 129
GLY A 169
GLY A 120
TYR A 219
 None
 1.11A 2igtA-4bhdA:
4.3		 2igtA-4bhdA:
22.68
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.
4bi3 SSP1

(Serratia
marcescens) 		PF14113
(Tae4) 		5 PHE A 122
ALA A  51
ALA A  89
GLY A 131
GLY A  84
 None
None
None
SO4  A1164 (-3.3A)
None
 1.00A 2igtA-4bi3A:
undetectable		 2igtA-4bi3A:
19.76
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.
4ccd GALACTOCEREBROSIDASE

(Mus musculus) 		PF02057
(Glyco_hydro_59)
PF17387
(Glyco_hydro_59M) 		5 TYR A 298
SER A 533
ALA A 492
ALA A 575
GLY A 563
 None
 1.09A 2igtA-4ccdA:
undetectable		 2igtA-4ccdA:
18.13
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.
4dt5 ANTIFREEZE PROTEIN

(Rhagium
inquisitor) 		no annotation 5 ALA A  25
ALA A  44
ALA A  13
GLY A  48
GLY A   8
 None
 1.08A 2igtA-4dt5A:
undetectable		 2igtA-4dt5A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f7a PUTATIVE
UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF12741
(SusD-like) 		5 TYR A 300
ALA A 294
SER A 295
GLY A 290
TRP A 458
 None
 1.00A 2igtA-4f7aA:
undetectable		 2igtA-4f7aA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ihe THNT PROTEIN

(Streptomyces
cattleya) 		PF03576
(Peptidase_S58) 		5 PHE A 326
ALA A 188
ALA A 282
GLY A  56
GLY A 187
 None
 1.12A 2igtA-4iheA:
undetectable		 2igtA-4iheA:
27.54
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.
4j1y COMPLEMENT C1S
SUBCOMPONENT

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 ALA A 619
ALA A 584
GLY A 634
GLY A 630
TYR A 648
 None
 1.15A 2igtA-4j1yA:
undetectable		 2igtA-4j1yA:
22.03
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.
4kqc PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Brachyspira
murdochii) 		PF13407
(Peripla_BP_4) 		5 PHE A  39
ALA A 138
ALA A 321
GLY A 177
GLY A 181
 None
None
NO3  A 504 (-3.7A)
None
None
 1.12A 2igtA-4kqcA:
2.2		 2igtA-4kqcA:
22.91
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.
4nov XYLOSIDASE/ARABINOFU
RANOSIDASE XSA43E

(Butyrivibrio
proteoclasticus) 		PF04616
(Glyco_hydro_43) 		5 PHE A 292
ALA A 219
PRO A 259
GLY A 203
GLY A 201
 None
None
None
CA  A 401 ( 4.7A)
None
 1.09A 2igtA-4novA:
undetectable		 2igtA-4novA:
23.86
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.
4oht SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00171
(Aldedh) 		5 PHE A 167
ALA A 127
ALA A  32
GLY A 149
GLY A 123
 None
 1.08A 2igtA-4ohtA:
4.6		 2igtA-4ohtA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rqo L-SERINE DEHYDRATASE

(Legionella
pneumophila) 		PF03313
(SDH_alpha)
PF03315
(SDH_beta) 		5 ALA A 350
SER A 351
ALA A 407
ALA A 288
GLY A 327
 None
 1.14A 2igtA-4rqoA:
undetectable		 2igtA-4rqoA:
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.
4tvs TORSIN-1A-INTERACTIN
G PROTEIN 1

(Homo sapiens) 		PF05609
(LAP1C) 		5 PHE A 492
PHE A 503
ALA A 507
GLY A 468
GLY A 472
 None
 1.08A 2igtA-4tvsA:
undetectable		 2igtA-4tvsA:
19.33
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.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE

(Methylovorus
sp. MP688) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 PHE A 394
ALA A 266
GLY A  92
GLY A  14
TRP A  68
 None
FAD  A 700 (-3.6A)
None
FAD  A 700 (-3.2A)
FAD  A 700 (-4.1A)
 1.08A 2igtA-4udrA:
2.8		 2igtA-4udrA:
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.
4uoz BETA-GALACTOSIDASE

(Bifidobacterium
animalis) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 ALA A 507
SER A 506
ALA A 487
GLY A 525
GLY A 522
 None
 1.11A 2igtA-4uozA:
undetectable		 2igtA-4uozA:
19.68
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.
4usr MONOOXYGENASE

(Pseudomonas
stutzeri) 		PF13738
(Pyr_redox_3) 		5 TYR A 321
SER A 133
ALA A 287
GLY A  41
TRP A  43
 None
FAD  A1355 ( 4.2A)
FAD  A1355 ( 4.6A)
FAD  A1355 (-3.4A)
FAD  A1355 (-4.0A)
 1.02A 2igtA-4usrA:
undetectable		 2igtA-4usrA:
23.27
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.
4wqe THIOSULFATE
DEHYDROGENASE

(Allochromatium
vinosum) 		PF13442
(Cytochrome_CBB3) 		5 SER A 100
ALA A 193
PRO A 182
GLY A  46
GLY A  44
 SO3  A1006 ( 2.6A)
SO3  A1006 (-4.2A)
HEC  A1002 (-4.6A)
None
None
 1.14A 2igtA-4wqeA:
undetectable		 2igtA-4wqeA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xuk PUTATIVE HYDROLASE

(Acinetobacter
sp. NBRC 100985) 		PF00753
(Lactamase_B) 		5 TYR A  53
SER A 136
ALA A 140
GLY A  69
GLY A 132
 None
 1.16A 2igtA-4xukA:
undetectable		 2igtA-4xukA:
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.
4ysh GLYCINE OXIDASE

(Geobacillus
kaustophilus) 		PF01266
(DAO) 		5 ALA A  45
SER A  43
ALA A 160
GLY A 307
TYR A 177
 FAD  A 401 ( 4.5A)
FAD  A 401 (-2.3A)
None
FAD  A 401 ( 4.1A)
None
 1.17A 2igtA-4yshA:
3.4		 2igtA-4yshA:
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.
4zm6 N-ACETYL-BETA-D
GLUCOSAMINIDASE

(Rhizomucor
miehei) 		PF00583
(Acetyltransf_1)
PF00933
(Glyco_hydro_3) 		5 ALA A 111
ALA A 101
ALA A 115
PRO A 133
GLY A 162
 None
 1.12A 2igtA-4zm6A:
undetectable		 2igtA-4zm6A:
17.56
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.
5a3y THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 ALA A  68
SER A  65
ALA A  70
GLY A  10
GLY A  12
 None
 0.93A 2igtA-5a3yA:
undetectable		 2igtA-5a3yA:
19.82
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.
5b47 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
BETA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF02775
(TPP_enzyme_C)
PF12367
(PFO_beta_C) 		5 ALA B 165
ALA B 189
PRO B 224
GLY B 253
TRP B 222
 None
 1.09A 2igtA-5b47B:
4.0		 2igtA-5b47B:
22.16
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.
5cni METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 PHE A 432
TYR A 386
ALA A 389
ALA A  86
GLY A  30
 None
 1.08A 2igtA-5cniA:
3.6		 2igtA-5cniA:
23.96
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.
5cqe MATRIX PROTEIN 1

(Influenza A
virus) 		PF00598
(Flu_M1) 		5 TYR A 132
ALA A 125
ALA A  96
GLY A  86
GLY A 122
 None
 1.05A 2igtA-5cqeA:
undetectable		 2igtA-5cqeA:
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.
5j1s TORSIN-1A-INTERACTIN
G PROTEIN 2

(Homo sapiens) 		PF05609
(LAP1C) 		5 PHE B 378
PHE B 389
ALA B 393
GLY B 354
GLY B 358
 None
 1.02A 2igtA-5j1sB:
undetectable		 2igtA-5j1sB:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jpn COMPLEMENT C4-A

(Homo sapiens) 		PF00207
(A2M)
PF01821
(ANATO)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		5 ALA B 915
SER B 866
ALA B 884
ALA B 926
GLY B 924
 None
 1.14A 2igtA-5jpnB:
undetectable		 2igtA-5jpnB:
17.92
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.
5jtw COMPLEMENT C4-A

(Homo sapiens) 		PF00207
(A2M)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		5 ALA B 915
SER B 866
ALA B 884
ALA B 926
GLY B 924
 None
 1.11A 2igtA-5jtwB:
undetectable		 2igtA-5jtwB:
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.
5kzn METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		5 PHE A 432
TYR A 386
ALA A 389
ALA A  86
GLY A  30
 None
 1.07A 2igtA-5kznA:
2.9		 2igtA-5kznA:
20.80
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.
5lae PEROXISOMAL
N(1)-ACETYL-SPERMINE
/SPERMIDINE
OXIDASE,PEROXISOMAL
N(1)-ACETYL-SPERMINE
/SPERMIDINE OXIDASE

(Mus musculus) 		PF01593
(Amino_oxidase) 		5 ALA A 463
ALA A 486
ALA A 446
GLY A 477
GLY A 464
 None
None
None
None
FAD  A1801 (-3.1A)
 1.16A 2igtA-5laeA:
4.1		 2igtA-5laeA:
22.79
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.
5lhk LEUCINE
AMINOPEPTIDASE 2,
CHLOROPLASTIC

(Streptomyces
sp. BC16019) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 ALA A  97
ALA A  40
ALA A  95
GLY A 138
GLY A 134
 None
 0.88A 2igtA-5lhkA:
undetectable		 2igtA-5lhkA:
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.
5lv9 THERMOPHILIC
TRYPTOPHAN
HALOGENASE

(Streptomyces
violaceusniger) 		PF04820
(Trp_halogenase) 		5 ALA A  13
ALA A 180
GLY A 362
GLY A 349
TYR A 172
 None
 1.07A 2igtA-5lv9A:
3.6		 2igtA-5lv9A:
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.
5mg3 PROTEIN TRANSLOCASE
SUBUNIT SECD
PROTEIN TRANSLOCASE
SUBUNIT SECF

(Escherichia
coli;
Escherichia
coli) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG)
PF13721
(SecD-TM1)
PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 PHE D 578
TYR D 568
ALA D 574
ALA F 201
GLY D 506
 None
 1.09A 2igtA-5mg3D:
undetectable		 2igtA-5mg3D:
21.92
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.
5ncc FATTY ACID
PHOTODECARBOXYLASE

(Chlorella
variabilis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ALA A  95
ALA A 629
ALA A 341
GLY A 165
GLY A  91
 None
None
FAD  A 701 (-4.0A)
FAD  A 701 (-3.1A)
FAD  A 701 ( 4.9A)
 1.04A 2igtA-5nccA:
2.2		 2igtA-5nccA:
21.13
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.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		5 PHE A 456
ALA A  75
ALA A  79
GLY A 172
GLY A 240
 None
 0.97A 2igtA-5svcA:
undetectable		 2igtA-5svcA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w70 L-GLUTAMINE:2-DEOXY-
SCYLLO-INOSOSE
AMINOTRANSFERASE

(Streptomyces
ribosidificus) 		PF01041
(DegT_DnrJ_EryC1) 		5 PHE A  57
TYR A  53
SER A 259
ALA A 211
GLY A 209
 None
 1.11A 2igtA-5w70A:
undetectable		 2igtA-5w70A:
26.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wt4 CYSTEINE DESULFURASE
ISCS

(Helicobacter
pylori) 		no annotation 5 PHE A 228
ALA A 204
SER A 203
ALA A  73
GLY A 209
 None
None
C6P  A 502 (-2.4A)
C6P  A 502 (-3.8A)
None
 1.12A 2igtA-5wt4A:
3.5		 2igtA-5wt4A:
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.
5xoe ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E

(Staphylococcus
aureus) 		no annotation 5 PHE A 137
ALA A 170
ALA A 144
ALA A 223
GLY A 183
 None
 1.09A 2igtA-5xoeA:
undetectable		 2igtA-5xoeA:
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.
5xoy [LYSW]-LYSINE
HYDROLASE

(Thermus
thermophilus) 		PF01546
(Peptidase_M20) 		5 PHE A 337
ALA A 103
ALA A  51
GLY A  35
GLY A  43
 None
 0.95A 2igtA-5xoyA:
undetectable		 2igtA-5xoyA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xyi UNCHARACTERIZED
PROTEIN

(Trichomonas
vaginalis) 		PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		5 ALA C 147
ALA C  80
ALA C 117
GLY C 120
GLY C 127
 None
 0.98A 2igtA-5xyiC:
undetectable		 2igtA-5xyiC:
21.39
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.
5y0m -

(-) 		no annotation 5 ALA A 185
ALA A 150
GLY A  71
GLY A 182
TYR A 112
 None
 1.11A 2igtA-5y0mA:
undetectable		 2igtA-5y0mA:
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.
5y0m -

(-) 		no annotation 5 PHE A 174
ALA A 116
ALA A 165
GLY A 108
GLY A 113
 None
 1.08A 2igtA-5y0mA:
undetectable		 2igtA-5y0mA:
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.
6blj SERINE-TRNA LIGASE

(Naegleria
fowleri) 		no annotation 5 PHE A 355
TYR A 356
ALA A 385
PRO A 460
TYR A 223
 None
 1.03A 2igtA-6bljA:
undetectable		 2igtA-6bljA:
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.
6c08 ANTIBODY FAB HEAVY
CHAIN

(Mus musculus) 		no annotation 5 PHE A  70
ALA A  92
ALA A  90
GLY A  40
TYR A  60
 None
 1.02A 2igtA-6c08A:
undetectable		 2igtA-6c08A:
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.
6cbo C-6'
AMINOTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 PHE A 301
ALA A 311
ALA A 388
GLY A 344
GLY A 392
 None
 0.87A 2igtA-6cboA:
4.3		 2igtA-6cboA:
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.
6co7 PREDICTED PROTEIN

(Nematostella
vectensis) 		no annotation 5 PHE A 336
TYR A 338
ALA A 331
GLY A 326
GLY A 328
 None
 1.16A 2igtA-6co7A:
2.5		 2igtA-6co7A:
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.
6em0 2-HYDROXYBIPHENYL-3-
MONOOXYGENASE

(Pseudomonas
nitroreducens) 		no annotation 5 ALA A 341
ALA A 348
ALA A 337
PRO A 556
GLY A 494
 None
 0.89A 2igtA-6em0A:
3.5		 2igtA-6em0A:
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.
1a80 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE A

(Corynebacterium
sp.) 		PF00248
(Aldo_ket_red) 		3 ASP A 252
ASP A 259
ASP A 249
 None
 0.73A 2igtA-1a80A:
undetectable		 2igtA-1a80A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE

(Escherichia
coli) 		PF13561
(adh_short_C2) 		3 ASP A  42
ASP A  46
ASP A  68
 NAI  A 302 (-2.6A)
None
NAI  A 302 (-3.6A)
 0.69A 2igtA-1ahiA:
8.4		 2igtA-1ahiA:
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.
1dix EXTRACELLULAR
RIBONUCLEASE LE

(Solanum
lycopersicum) 		PF00445
(Ribonuclease_T2) 		3 ASP A   5
ASP A 179
ASP A   3
 None
 0.76A 2igtA-1dixA:
undetectable		 2igtA-1dixA:
17.54
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.
1gnx BETA-GLUCOSIDASE

(Streptomyces
sp.) 		PF00232
(Glyco_hydro_1) 		3 ASP A 164
ASP A 168
ASP A 222
 None
 0.69A 2igtA-1gnxA:
undetectable		 2igtA-1gnxA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hww ALPHA-MANNOSIDASE II

(Drosophila
melanogaster) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		3 ASP A 204
ASP A 169
ASP A 409
 SWA  A1103 ( 3.0A)
None
None
 0.70A 2igtA-1hwwA:
undetectable		 2igtA-1hwwA:
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.
1jmz AMINE DEHYDROGENASE

(Pseudomonas
putida) 		PF09098
(Dehyd-heme_bind)
PF09099
(Qn_am_d_aIII)
PF09100
(Qn_am_d_aIV)
PF14930
(Qn_am_d_aII) 		3 ASP A 363
ASP A 341
ASP A 401
 None
 0.72A 2igtA-1jmzA:
undetectable		 2igtA-1jmzA:
23.09
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.
1nw5 MODIFICATION
METHYLASE RSRI

(Rhodobacter
sphaeroides) 		PF01555
(N6_N4_Mtase) 		3 ASP A 271
ASP A  46
ASP A  65
 SAM  A 401 (-2.9A)
SAM  A 401 (-3.6A)
SAM  A 401 (-3.3A)
 0.70A 2igtA-1nw5A:
2.9		 2igtA-1nw5A:
21.47
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.
1s9k NUCLEAR FACTOR OF
ACTIVATED T-CELLS,
CYTOPLASMIC 2
PROTO-ONCOGENE
PROTEIN C-FOS

(Homo sapiens;
Homo sapiens) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer)
PF00170
(bZIP_1) 		3 ASP D 170
ASP D 163
ASP C 464
 None
 0.76A 2igtA-1s9kD:
undetectable		 2igtA-1s9kD:
12.22
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.
1sde D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptomyces
sp. R61) 		PF00144
(Beta-lactamase) 		3 ASP A 195
ASP A 248
ASP A  56
 None
 0.59A 2igtA-1sdeA:
undetectable		 2igtA-1sdeA:
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.
1up2 CELA1 PROTEIN

(Mycobacterium
tuberculosis) 		PF01341
(Glyco_hydro_6) 		3 ASP A 224
ASP A 262
ASP A 217
 None
 0.72A 2igtA-1up2A:
undetectable		 2igtA-1up2A:
22.71
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.
1x3o ACYL CARRIER PROTEIN

(Thermus
thermophilus) 		PF00550
(PP-binding) 		3 ASP A  16
ASP A  51
ASP A  41
 None
 0.70A 2igtA-1x3oA:
undetectable		 2igtA-1x3oA:
14.06
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.
1xwm PHOSPHATE UPTAKE
REGULATOR

(Geobacillus
stearothermophilus) 		PF01895
(PhoU) 		3 ASP A 150
ASP A 156
ASP A 214
 None
 0.65A 2igtA-1xwmA:
undetectable		 2igtA-1xwmA:
20.18
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.
1zo1 TRANSLATION
INITIATION FACTOR 2

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2) 		3 ASP I 711
ASP I 706
ASP I 669
 A  F  76 ( 3.8A)
None
None
 0.70A 2igtA-1zo1I:
undetectable		 2igtA-1zo1I:
22.33
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.
2bvg 6-HYDROXY-D-NICOTINE
OXIDASE

(Paenarthrobacter
nicotinovorans) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		3 ASP A 273
ASP A 268
ASP A 239
 None
 0.65A 2igtA-2bvgA:
undetectable		 2igtA-2bvgA:
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.
2dpm PROTEIN
(ADENINE-SPECIFIC
METHYLTRANSFERASE
DPNII 1)

(Streptococcus
pneumoniae) 		PF02086
(MethyltransfD12) 		3 ASP A  62
ASP A 177
ASP A 194
 SAM  A 300 (-2.8A)
SAM  A 300 (-4.1A)
SAM  A 300 (-3.7A)
 0.27A 2igtA-2dpmA:
10.1		 2igtA-2dpmA:
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.
2i7d 5'(3')-DEOXYRIBONUCL
EOTIDASE, CYTOSOLIC
TYPE

(Homo sapiens) 		PF06941
(NT5C) 		3 ASP A 144
ASP A 147
ASP A  12
 ALF  A 400 ( 4.2A)
None
DUR  A 300 (-3.7A)
 0.55A 2igtA-2i7dA:
2.3		 2igtA-2i7dA:
22.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2igt SAM DEPENDENT
METHYLTRANSFERASE

(Agrobacterium
fabrum) 		PF10672
(Methyltrans_SAM) 		3 ASP A 161
ASP A 190
ASP A 211
 SAM  A1001 (-2.9A)
SAM  A1001 (-3.7A)
SAM  A1001 (-2.8A)
 0.04A 2igtA-2igtA:
55.4		 2igtA-2igtA:
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.
2is3 RIBONUCLEASE T

(Escherichia
coli) 		PF00929
(RNase_T) 		3 ASP A 125
ASP A 150
ASP A 186
 None
 0.72A 2igtA-2is3A:
undetectable		 2igtA-2is3A:
22.96
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.
2jar 5'(3')-DEOXYRIBONUCL
EOTIDASE

(Mus musculus) 		PF06941
(NT5C) 		3 ASP A 146
ASP A 149
ASP A  14
 UMP  A1200 ( 4.1A)
None
UMP  A1200 ( 3.6A)
 0.66A 2igtA-2jarA:
2.4		 2igtA-2jarA:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2k2q SURFACTIN SYNTHETASE
THIOESTERASE SUBUNIT

(Bacillus
subtilis) 		PF00975
(Thioesterase) 		3 ASP B 213
ASP B 190
ASP B 196
 None
 0.59A 2igtA-2k2qB:
undetectable		 2igtA-2k2qB:
21.99
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.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		3 ASP A  62
ASP A  79
ASP A 104
 SAM  A 201 (-2.8A)
SAM  A 201 (-3.3A)
SAM  A 201 (-3.7A)
 0.70A 2igtA-2nyuA:
12.4		 2igtA-2nyuA:
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.
2q7f YRRB PROTEIN

(Bacillus
subtilis) 		PF07719
(TPR_2)
PF12895
(ANAPC3)
PF13181
(TPR_8)
PF13414
(TPR_11) 		3 ASP A 190
ASP A 159
ASP A 195
 None
 0.72A 2igtA-2q7fA:
undetectable		 2igtA-2q7fA:
25.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vp1 PERIPLASMIC
IRON-BINDING PROTEIN

(Synechocystis
sp. PCC 6803) 		PF13343
(SBP_bac_6) 		3 ASP A 218
ASP A 144
ASP A 138
 None
 0.67A 2igtA-2vp1A:
undetectable		 2igtA-2vp1A:
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.
2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		3 ASP A  99
ASP A 114
ASP A 130
 SAH  A1293 (-2.7A)
SAH  A1293 (-3.7A)
SAH  A1293 (-3.7A)
 0.74A 2igtA-2xyqA:
8.7		 2igtA-2xyqA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y9y ISWI ONE COMPLEX
PROTEIN 3

(Saccharomyces
cerevisiae) 		PF15612
(WHIM1) 		3 ASP B 207
ASP B 199
ASP B 246
 None
 0.75A 2igtA-2y9yB:
undetectable		 2igtA-2y9yB:
19.97
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.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		3 ASP A 108
ASP A 140
ASP A 158
 MTA  A 315 (-3.3A)
MTA  A 315 (-3.9A)
MTA  A 315 (-4.9A)
 0.71A 2igtA-3anxA:
8.3		 2igtA-3anxA:
23.14
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.
3b49 LIN2189 PROTEIN

(Listeria
innocua) 		PF06445
(GyrI-like) 		3 ASP A  97
ASP A  42
ASP A  92
 None
 0.72A 2igtA-3b49A:
undetectable		 2igtA-3b49A:
24.08
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.
3c3p METHYLTRANSFERASE

(Geobacter
sulfurreducens) 		PF01596
(Methyltransf_3) 		3 ASP A  87
ASP A 115
ASP A 132
 EDO  A 215 (-3.0A)
None
None
 0.50A 2igtA-3c3pA:
15.0		 2igtA-3c3pA:
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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		3 ASP A 102
ASP A 130
ASP A 154
 SAH  A 464 (-2.8A)
SAH  A 464 (-4.1A)
CA  A 238 ( 2.2A)
 0.45A 2igtA-3c3yA:
15.1		 2igtA-3c3yA:
23.05
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.
3dhu ALPHA-AMYLASE

(Lactobacillus
plantarum) 		PF00128
(Alpha-amylase) 		3 ASP A 238
ASP A 232
ASP A 254
 None
 0.74A 2igtA-3dhuA:
undetectable		 2igtA-3dhuA:
22.34
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.
3di4 UNCHARACTERIZED
PROTEIN DUF1989

(Ruegeria
pomeroyi) 		PF09347
(DUF1989) 		3 ASP A 192
ASP A 144
ASP A 151
 None
 0.76A 2igtA-3di4A:
undetectable		 2igtA-3di4A:
22.97
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.
3efy CIF (CELL CYCLE
INHIBITING FACTOR)

(Escherichia
coli) 		PF16374
(CIF) 		3 ASP A 187
ASP A 160
ASP A 237
 None
 0.74A 2igtA-3efyA:
undetectable		 2igtA-3efyA:
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.
3f00 SYNAPTOTAGMIN-1

(Homo sapiens) 		PF00168
(C2) 		3 ASP A 238
ASP A 178
ASP A 172
 None
 0.76A 2igtA-3f00A:
undetectable		 2igtA-3f00A:
17.43
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.
3fi8 CHOLINE KINASE

(Plasmodium
falciparum) 		PF01633
(Choline_kinase) 		3 ASP A 195
ASP A 328
ASP A 189
 None
 0.76A 2igtA-3fi8A:
undetectable		 2igtA-3fi8A:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gvc PROBABLE SHORT-CHAIN
TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		3 ASP A  60
ASP A  64
ASP A  83
 None
 0.64A 2igtA-3gvcA:
6.7		 2igtA-3gvcA:
25.74
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.
3hh8 METAL ABC
TRANSPORTER
SUBSTRATE-BINDING
LIPOPROTEIN

(Streptococcus
pyogenes) 		PF01297
(ZnuA) 		3 ASP A  55
ASP A  52
ASP A  31
 None
 0.75A 2igtA-3hh8A:
undetectable		 2igtA-3hh8A:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hl1 FERRITIN LIKE
PROTEIN

(Caulobacter
vibrioides) 		PF12902
(Ferritin-like) 		3 ASP A 132
ASP A 139
ASP A 135
 None
 0.58A 2igtA-3hl1A:
undetectable		 2igtA-3hl1A:
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.
3hps 2-ISOPROPYLMALATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00682
(HMGL-like)
PF08502
(LeuA_dimer) 		3 ASP A 395
ASP A 400
ASP A 388
 None
 0.74A 2igtA-3hpsA:
3.0		 2igtA-3hpsA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kx2 PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE PRP43

(Saccharomyces
cerevisiae) 		no annotation 3 ASP B 193
ASP B 225
ASP B 215
 None
None
MG  B 800 ( 4.0A)
 0.76A 2igtA-3kx2B:
4.8		 2igtA-3kx2B:
18.43
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.
3ldf PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.776

(Streptococcus
mutans) 		PF10672
(Methyltrans_SAM) 		3 ASP A 242
ASP A 271
ASP A 292
 SAH  A 401 (-2.8A)
SAH  A 401 (-3.2A)
SAH  A 401 (-3.5A)
 0.58A 2igtA-3ldfA:
23.3		 2igtA-3ldfA:
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.
3lq1 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Listeria
monocytogenes) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		3 ASP A 274
ASP A 254
ASP A 413
 None
 0.72A 2igtA-3lq1A:
3.3		 2igtA-3lq1A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n90 THYLAKOID LUMENAL 15
KDA PROTEIN 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00805
(Pentapeptide) 		3 ASP A 188
ASP A 147
ASP A 191
 None
 0.45A 2igtA-3n90A:
undetectable		 2igtA-3n90A:
20.18
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.
3naf CALCIUM-ACTIVATED
POTASSIUM CHANNEL
SUBUNIT
ALPHA-1,CALCIUM-ACTI
VATED POTASSIUM
CHANNEL SUBUNIT
ALPHA-1,CALCIUM-ACTI
VATED POTASSIUM
CHANNEL SUBUNIT
ALPHA-1

(Homo sapiens) 		PF03493
(BK_channel_a) 		3 ASP A 817
ASP A 812
ASP A 885
 None
 0.73A 2igtA-3nafA:
6.0		 2igtA-3nafA:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pe8 ENOYL-COA HYDRATASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		3 ASP A  51
ASP A  47
ASP A  13
 None
 0.68A 2igtA-3pe8A:
undetectable		 2igtA-3pe8A:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qan 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE
1

(Bacillus
halodurans) 		PF00171
(Aldedh) 		3 ASP A 296
ASP A 331
ASP A 431
 None
 0.64A 2igtA-3qanA:
4.4		 2igtA-3qanA:
22.51
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.
3r24 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		3 ASP A  99
ASP A 114
ASP A 130
 SAM  A 302 (-2.6A)
SAM  A 302 (-3.4A)
SAM  A 302 (-3.6A)
 0.72A 2igtA-3r24A:
8.5		 2igtA-3r24A:
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.
3ru8 EPITOPE SCAFFOLD
2BODX43

(Thermobifida
fusca;
Human
immunodeficiency
virus;
synthetic
construct) 		PF01341
(Glyco_hydro_6) 		3 ASP X 144
ASP X 206
ASP X  72
 GOL  X 283 (-3.3A)
None
None
 0.57A 2igtA-3ru8X:
undetectable		 2igtA-3ru8X:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ssm METHYLTRANSFERASE

(Micromonospora
griseorubida) 		no annotation 3 ASP A 234
ASP A 252
ASP A 275
 SAH  A 601 (-2.8A)
SAH  A 601 (-3.6A)
MG  A 501 ( 2.8A)
 0.53A 2igtA-3ssmA:
11.0		 2igtA-3ssmA:
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.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		3 ASP A  72
ASP A  33
ASP A  29
 None
 0.70A 2igtA-3t8lA:
undetectable		 2igtA-3t8lA:
19.54
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.
3tos CALS11

(Micromonospora
echinospora) 		PF05711
(TylF) 		3 ASP A 107
ASP A 166
ASP A 189
 SAH  A 258 (-2.7A)
SAH  A 258 (-3.4A)
SAH  A 258 ( 3.6A)
 0.64A 2igtA-3tosA:
10.8		 2igtA-3tosA:
24.57
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.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L

(Escherichia
coli) 		PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM) 		3 ASP A 568
ASP A 597
ASP A 615
 SAM  A 802 (-2.9A)
SAM  A 802 (-3.5A)
None
 0.58A 2igtA-3v8vA:
22.5		 2igtA-3v8vA:
18.74
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.
3vse PUTATIVE
UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF10672
(Methyltrans_SAM) 		3 ASP A 243
ASP A 272
ASP A 293
 SAH  A 401 (-2.7A)
SAH  A 401 (-3.0A)
SAH  A 401 (-3.2A)
 0.52A 2igtA-3vseA:
25.0		 2igtA-3vseA:
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.
3zgb PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Flaveria
pringlei) 		PF00311
(PEPcase) 		3 ASP A 564
ASP A 597
ASP A 536
 None
SO4  A1970 (-3.3A)
None
 0.72A 2igtA-3zgbA:
undetectable		 2igtA-3zgbA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ate BETA-PORPHYRANASE A

(Zobellia
galactanivorans) 		no annotation 3 ASP A 265
ASP A  37
ASP A  73
 CA  A1275 (-3.4A)
None
None
 0.47A 2igtA-4ateA:
undetectable		 2igtA-4ateA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bpz ENDO-1,3-BETA-GLUCAN
ASE, FAMILY GH16

(Zobellia
galactanivorans) 		PF00722
(Glyco_hydro_16) 		3 ASP A 377
ASP A 144
ASP A 188
 CA  A 400 (-3.2A)
None
None
 0.53A 2igtA-4bpzA:
undetectable		 2igtA-4bpzA:
22.89
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.
4buj ANTIVIRAL HELICASE
SKI2
ANTIVIRAL PROTEIN
SKI8

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF08148
(DSHCT)
PF00400
(WD40) 		3 ASP A  31
ASP C  35
ASP C 346
 None
 0.66A 2igtA-4bujA:
5.8		 2igtA-4bujA:
15.74
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.
4c2t DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		3 ASP A 231
ASP A 267
ASP A 255
 None
 0.75A 2igtA-4c2tA:
2.2		 2igtA-4c2tA:
18.30
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.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		3 ASP A 231
ASP A 267
ASP A 255
 None
 0.74A 2igtA-4c30A:
4.5		 2igtA-4c30A:
19.26
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.
4dqx PROBABLE
OXIDOREDUCTASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		3 ASP A  58
ASP A  62
ASP A  81
 None
 0.68A 2igtA-4dqxA:
8.0		 2igtA-4dqxA:
25.00
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.
4eys MCCC FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF02016
(Peptidase_S66) 		3 ASP A 218
ASP A 269
ASP A 259
 None
 0.62A 2igtA-4eysA:
undetectable		 2igtA-4eysA:
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.
4f8c CYCLE INHIBITING
FACTOR

(Yersinia
pseudotuberculosis) 		PF16374
(CIF) 		3 ASP A 195
ASP A 168
ASP A 245
 None
 0.73A 2igtA-4f8cA:
undetectable		 2igtA-4f8cA:
22.77
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.
4fur UREASE SUBUNIT GAMMA
2

(Brucella
abortus) 		PF00547
(Urease_gamma) 		3 ASP A  71
ASP A  75
ASP A  67
 None
 0.76A 2igtA-4furA:
undetectable		 2igtA-4furA:
16.31
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.
4fzv PUTATIVE
METHYLTRANSFERASE
NSUN4

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		3 ASP A 204
ASP A 237
ASP A 255
 SAM  A 401 (-2.9A)
SAM  A 401 (-3.5A)
SAM  A 401 (-3.7A)
 0.63A 2igtA-4fzvA:
11.9		 2igtA-4fzvA:
25.62
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.
4j6f PUTATIVE ALCOHOL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 ASP A 114
ASP A  90
ASP A 312
 GOL  A 500 (-3.6A)
None
None
 0.69A 2igtA-4j6fA:
7.7		 2igtA-4j6fA:
27.57
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.
4jva CAMP-DEPENDENT
PROTEIN KINASE TYPE
II-BETA REGULATORY
SUBUNIT

(Rattus
norvegicus) 		PF00027
(cNMP_binding) 		3 ASP A 309
ASP A 214
ASP A 306
 None
 0.75A 2igtA-4jvaA:
undetectable		 2igtA-4jvaA:
23.25
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.
4kma GM14141P

(Drosophila
melanogaster) 		PF05076
(SUFU)
PF12470
(SUFU_C) 		3 ASP A 228
ASP A 222
ASP A  65
 None
 0.62A 2igtA-4kmaA:
undetectable		 2igtA-4kmaA:
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.
4maa PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Pseudomonas
protegens) 		PF13458
(Peripla_BP_6) 		3 ASP A 355
ASP A 130
ASP A 391
 None
 0.68A 2igtA-4maaA:
2.7		 2igtA-4maaA:
25.51
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.
4mnd CTP
L-MYO-INOSITOL-1-PHO
SPHATE
CYTIDYLYLTRANSFERASE
/CDP-L-MYO-INOSITOL
MYO-INOSITOLPHOSPHOT
RANSFERASE

(Archaeoglobus
fulgidus) 		PF01066
(CDP-OH_P_transf)
PF12804
(NTP_transf_3) 		3 ASP A 278
ASP A 171
ASP A 198
 None
 0.49A 2igtA-4mndA:
undetectable		 2igtA-4mndA:
23.41
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.
4n0n REPLICASE
POLYPROTEIN 1AB

(Equine
arteritis virus) 		PF01443
(Viral_helicase1) 		3 ASP A  80
ASP A 136
ASP A  73
 None
MG  A 509 (-2.8A)
None
 0.49A 2igtA-4n0nA:
2.7		 2igtA-4n0nA:
23.82
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.
4npc SORBITOL
DEHYDROGENASE

(Brucella suis) 		PF13561
(adh_short_C2) 		3 ASP A  47
ASP A  51
ASP A  70
 None
 0.69A 2igtA-4npcA:
7.4		 2igtA-4npcA:
24.93
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.
4omb PHOSPHATE BINDING
PROTEIN

(Pseudomonas
aeruginosa) 		PF12849
(PBP_like_2) 		3 ASP A 123
ASP A 253
ASP A 304
 None
 0.70A 2igtA-4ombA:
undetectable		 2igtA-4ombA:
21.72
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.
4qdy CONSERVED
HYPOTHETICAL PROTEIN

(Streptococcus
pneumoniae) 		PF07949
(YbbR) 		3 ASP A  51
ASP A 113
ASP A  96
 None
 0.76A 2igtA-4qdyA:
undetectable		 2igtA-4qdyA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tsk KETOL-ACID
REDUCTOISOMERASE

(Alicyclobacillus
acidocaldarius) 		PF01450
(IlvC)
PF07991
(IlvN) 		3 ASP A 123
ASP A  74
ASP A 162
 None
 0.74A 2igtA-4tskA:
4.1		 2igtA-4tskA:
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.
4xwh ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Homo sapiens) 		PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		3 ASP A 613
ASP A 722
ASP A 559
 None
 0.69A 2igtA-4xwhA:
undetectable		 2igtA-4xwhA:
18.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yo7 SUGAR ABC
TRANSPORTER
(SUGAR-BINDING
PROTEIN)

(Bacillus
halodurans) 		PF13407
(Peripla_BP_4) 		3 ASP A 108
ASP A  83
ASP A 114
 None
 0.71A 2igtA-4yo7A:
4.8		 2igtA-4yo7A:
24.79
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.
4z7e LMO1422 PROTEIN

(Listeria
monocytogenes) 		PF04069
(OpuAC) 		3 ASP A 421
ASP A 472
ASP A 416
 1PE  A 604 (-3.2A)
None
None
 0.72A 2igtA-4z7eA:
undetectable		 2igtA-4z7eA:
26.30
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.
5cgz 4-OXALMESACONATE
HYDRATASE

(Pseudomonas
putida) 		PF02585
(PIG-L) 		3 ASP A  86
ASP A  89
ASP A  65
 GOL  A 308 (-3.3A)
None
None
 0.65A 2igtA-5cgzA:
3.4		 2igtA-5cgzA:
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.
5d3m ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA1
ENERGY-COUPLING
FACTOR TRANSPORTER
TRANSMEMBRANE
PROTEIN ECFT

(Lactobacillus
delbrueckii;
Lactobacillus
delbrueckii) 		PF00005
(ABC_tran)
PF02361
(CbiQ) 		3 ASP D 217
ASP A  94
ASP A 168
 None
None
ANP  A 301 ( 4.4A)
 0.53A 2igtA-5d3mD:
undetectable		 2igtA-5d3mD:
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.
5fdn PHOSPHOENOLPYRUVATE
CARBOXYLASE 3

(Arabidopsis
thaliana) 		PF00311
(PEPcase) 		3 ASP A 567
ASP A 600
ASP A 539
 None
 0.71A 2igtA-5fdnA:
undetectable		 2igtA-5fdnA:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5giu PROLINE DIPEPTIDASE

(Deinococcus
radiodurans) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		3 ASP A  46
ASP A  17
ASP A  82
 None
 0.73A 2igtA-5giuA:
undetectable		 2igtA-5giuA:
22.58
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.
5hdf HYDROLASE

(Streptomyces
flocculus) 		no annotation 3 ASP B 318
ASP B 306
ASP B 314
 None
 0.67A 2igtA-5hdfB:
2.2		 2igtA-5hdfB:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iq6 RNA DEPENDENT RNA
POLYMERASE

(Dengue virus) 		PF00972
(Flavi_NS5) 		3 ASP A 544
ASP A 596
ASP A 683
 None
 0.76A 2igtA-5iq6A:
undetectable		 2igtA-5iq6A:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k4p PROBABLE
PHOSPHATIDYLETHANOLA
MINE TRANSFERASE
MCR-1

(Escherichia
coli) 		PF00884
(Sulfatase) 		3 ASP A 384
ASP A 457
ASP A 233
 None
 0.67A 2igtA-5k4pA:
undetectable		 2igtA-5k4pA:
24.15
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		3 ASP A  49
ASP A  80
ASP A  42
 None
 0.60A 2igtA-5kvaA:
14.3		 2igtA-5kvaA:
23.67
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.
5log PUTATIVE
O-METHYLTRANSFERASE

(Myxococcus
xanthus) 		PF01596
(Methyltransf_3) 		3 ASP A  91
ASP A 119
ASP A 142
 SAH  A1001 (-2.8A)
SAH  A1001 (-3.8A)
MG  A1002 (-2.5A)
 0.49A 2igtA-5logA:
15.5		 2igtA-5logA:
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.
5lta PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE PRP43

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		3 ASP A 196
ASP A 228
ASP A 218
 None
None
MG  A 802 ( 4.0A)
 0.75A 2igtA-5ltaA:
5.5		 2igtA-5ltaA:
18.91
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.
5lxz SECRETED PROTEIN

(Streptomyces
lividans) 		PF07646
(Kelch_2)
PF09118
(DUF1929) 		3 ASP B 118
ASP B  99
ASP B  94
 None
None
CU  B 702 (-2.1A)
 0.71A 2igtA-5lxzB:
undetectable		 2igtA-5lxzB:
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.
5m6p TYROCIDINE SYNTHASE
2

(Brevibacillus
parabrevis) 		no annotation 3 ASP A3247
ASP A3159
ASP A3206
 None
 0.70A 2igtA-5m6pA:
undetectable		 2igtA-5m6pA:
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.
5nfq EPOXIDE HYDROLASE
BELONGING TO
ALPHA/BETA HYDROLASE
SUPERFAMILY
METAGENOMIC FROM
TOMSK SAMPLE

(metagenome) 		no annotation 3 ASP A  83
ASP A  89
ASP A  78
 None
PEG  A 402 (-3.8A)
None
 0.76A 2igtA-5nfqA:
2.1		 2igtA-5nfqA:
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.
5t6u CATHEPSIN K

(Mus musculus) 		PF00112
(Peptidase_C1) 		3 ASP A 136
ASP A 158
ASP A 152
 None
 0.60A 2igtA-5t6uA:
undetectable		 2igtA-5t6uA:
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.
5t9x GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		no annotation 3 ASP A 331
ASP A  73
ASP A 116
 NA  A 401 (-3.2A)
None
None
 0.37A 2igtA-5t9xA:
undetectable		 2igtA-5t9xA:
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.
5vha DEAH
(ASP-GLU-ALA-HIS)
BOX POLYPEPTIDE 36

(Bos taurus) 		no annotation 3 ASP A 189
ASP A 248
ASP A 196
 None
 0.75A 2igtA-5vhaA:
4.8		 2igtA-5vhaA:
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.
5xdr PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE DHX15

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		3 ASP A 238
ASP A 270
ASP A 260
 None
None
MG  A 804 (-3.5A)
 0.74A 2igtA-5xdrA:
2.6		 2igtA-5xdrA:
17.49
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.
6bgd GLUCOSE/GALACTOSE-BI
NDING LIPOPROTEIN

(Treponema
pallidum) 		no annotation 3 ASP A 357
ASP A 354
ASP A 332
 None
EDO  A 403 (-2.4A)
None
 0.65A 2igtA-6bgdA:
undetectable		 2igtA-6bgdA:
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.
6bm7 INACTIVE
S-ADENOSYLMETHIONINE
DECARBOXYLASE
PROZYME

(Trypanosoma
brucei) 		no annotation 3 ASP E 171
ASP E 173
ASP E 139
 None
 0.63A 2igtA-6bm7E:
undetectable		 2igtA-6bm7E:
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.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 3 ASP A 129
ASP A 160
ASP A 178
 TER  A 402 ( 4.4A)
None
TER  A 402 (-4.1A)
 0.75A 2igtA-6bq6A:
12.3		 2igtA-6bq6A:
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.
6c33 5'-3' EXONUCLEASE

(Mycolicibacterium
smegmatis) 		no annotation 3 ASP A 126
ASP A   9
ASP A  62
 None
MN  A 401 ( 4.1A)
None
 0.70A 2igtA-6c33A:
undetectable		 2igtA-6c33A:
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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 3 ASP A 170
ASP A  82
ASP A 217
 None
 0.66A 2igtA-6eotA:
undetectable		 2igtA-6eotA:
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.
6evj RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza A
virus) 		no annotation 3 ASP B  41
ASP B  48
ASP B 384
 None
 0.71A 2igtA-6evjB:
undetectable		 2igtA-6evjB:
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.
6fa5 PUTATIVE MRNA
SPLICING FACTOR

(Chaetomium
thermophilum) 		no annotation 3 ASP A 396
ASP A 428
ASP A 418
 None
None
MG  A1002 ( 4.2A)
 0.74A 2igtA-6fa5A:
3.8		 2igtA-6fa5A:
undetectable