SIMILAR PATTERNS OF AMINO ACIDS FOR 1IE9_A_VDXA500

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.
1cg2 CARBOXYPEPTIDASE G2

(Pseudomonas sp.
RS-16) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 LEU A  47
LEU A  50
VAL A  51
SER A 111
VAL A 392
 None
 1.24A 1ie9A-1cg2A:
0.0		 1ie9A-1cg2A:
22.37
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.
1d6m DNA TOPOISOMERASE
III

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 LEU A  85
VAL A  81
SER A  80
VAL A 115
LEU A 111
 None
 1.34A 1ie9A-1d6mA:
0.0		 1ie9A-1d6mA:
16.69
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.
1lw7 TRANSCRIPTIONAL
REGULATOR NADR

(Haemophilus
influenzae) 		PF01467
(CTP_transf_like)
PF13521
(AAA_28) 		5 LEU A  88
VAL A  60
SER A 190
VAL A  90
HIS A 135
 None
 1.39A 1ie9A-1lw7A:
0.0		 1ie9A-1lw7A:
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.
1m9s INTERNALIN B

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF09479
(Flg_new)
PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13457
(SH3_8) 		5 LEU A 185
LEU A 182
VAL A 181
LEU A 138
HIS A 162
 None
 1.24A 1ie9A-1m9sA:
0.0		 1ie9A-1m9sA:
18.93
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.
1nfg D-HYDANTOINASE

(Ralstonia
pickettii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 LEU A 142
LEU A 139
VAL A 138
SER A  99
CYH A  92
 None
 1.17A 1ie9A-1nfgA:
0.0		 1ie9A-1nfgA:
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.
1odo PUTATIVE CYTOCHROME
P450 154A1

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 LEU A 198
LEU A 195
VAL A 194
SER A 241
VAL A 159
 None
None
None
PIM  A1408 (-4.3A)
None
 1.37A 1ie9A-1odoA:
1.2		 1ie9A-1odoA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q50 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Leishmania
mexicana) 		PF00342
(PGI) 		5 TYR A 560
LEU A 404
LEU A 407
SER A 411
LEU A 372
 None
 1.25A 1ie9A-1q50A:
0.0		 1ie9A-1q50A:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1snz ALDOSE 1-EPIMERASE

(Homo sapiens) 		PF01263
(Aldose_epim) 		5 LEU A  29
LEU A 157
SER A 177
VAL A  45
LEU A 181
 None
 1.13A 1ie9A-1snzA:
0.0		 1ie9A-1snzA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u2z HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Saccharomyces
cerevisiae) 		PF08123
(DOT1) 		5 LEU A 376
VAL A 541
SER A 542
VAL A 383
LEU A 477
 None
 1.24A 1ie9A-1u2zA:
undetectable		 1ie9A-1u2zA:
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.
1u2z HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Saccharomyces
cerevisiae) 		PF08123
(DOT1) 		5 TYR A 372
LEU A 376
VAL A 541
SER A 542
VAL A 383
 None
 1.39A 1ie9A-1u2zA:
undetectable		 1ie9A-1u2zA:
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.
1uiz MACROPHAGE MIGRATION
INHIBITORY FACTOR

(Xenopus laevis) 		PF01187
(MIF) 		5 LEU A  87
LEU A  83
CYH A  59
VAL A  14
LEU A  19
 None
 1.33A 1ie9A-1uizA:
undetectable		 1ie9A-1uizA:
17.11
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.
1ujo TRANSGELIN

(Mus musculus) 		PF00307
(CH) 		5 TYR A 129
LEU A  46
LEU A  49
VAL A  50
SER A  52
 None
 1.27A 1ie9A-1ujoA:
undetectable		 1ie9A-1ujoA:
19.61
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.
1we5 PUTATIVE FAMILY 31
GLUCOSIDASE YICI

(Escherichia
coli) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 LEU A 402
LEU A 405
VAL A 406
VAL A 448
LEU A 463
 None
 1.27A 1ie9A-1we5A:
undetectable		 1ie9A-1we5A:
16.21
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.
1yvk HYPOTHETICAL PROTEIN
BSU33890

(Bacillus
subtilis) 		PF00583
(Acetyltransf_1) 		5 LEU A  21
LEU A  18
CYH A  41
VAL A  71
LEU A   6
 None
None
None
COA  A 201 (-4.6A)
None
 1.38A 1ie9A-1yvkA:
undetectable		 1ie9A-1yvkA:
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.
1z23 CRK-ASSOCIATED
SUBSTRATE

(Rattus
norvegicus) 		PF08824
(Serine_rich) 		5 LEU A 575
LEU A 578
VAL A 579
SER A 581
LEU A 660
 None
 1.25A 1ie9A-1z23A:
undetectable		 1ie9A-1z23A:
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.
1z26 ARGONAUTE

(Pyrococcus
furiosus) 		PF02171
(Piwi)
PF12212
(PAZ_siRNAbind) 		5 TYR A 743
LEU A 530
VAL A 534
SER A 536
VAL A 505
 None
 1.32A 1ie9A-1z26A:
undetectable		 1ie9A-1z26A:
15.63
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.
1zkd DUF185

(Rhodopseudomonas
palustris) 		PF02636
(Methyltransf_28) 		5 LEU A 363
LEU A 360
VAL A 361
SER A  69
VAL A 349
 None
 1.18A 1ie9A-1zkdA:
undetectable		 1ie9A-1zkdA:
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.
2d2n GIANT HEMOGLOBIN,
A2(A5) GLOBIN CHAIN

(Oligobrachia
mashikoi) 		PF00042
(Globin) 		5 LEU B  70
LEU B  67
VAL B  66
SER B  63
HIS B  94
 HEM  B 200 (-3.8A)
None
HEM  B 200 ( 3.9A)
None
HEM  B 200 (-3.2A)
 1.09A 1ie9A-2d2nB:
undetectable		 1ie9A-2d2nB:
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.
2dhb HEMOGLOBIN (DEOXY)
(BETA CHAIN)

(Equus caballus) 		PF00042
(Globin) 		5 LEU B  96
VAL B  98
SER B  44
VAL B  67
LEU B  28
 HEM  B 147 (-4.6A)
HEM  B 147 ( 4.8A)
HEM  B 147 (-2.8A)
HEM  B 147 (-3.9A)
None
 1.19A 1ie9A-2dhbB:
undetectable		 1ie9A-2dhbB:
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.
2dhr FTSH

(Thermus
thermophilus) 		PF00004
(AAA)
PF01434
(Peptidase_M41) 		5 TYR A 530
LEU A 282
LEU A 279
VAL A 260
LEU A 193
 None
 1.39A 1ie9A-2dhrA:
undetectable		 1ie9A-2dhrA:
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.
2dkh 3-HYDROXYBENZOATE
HYDROXYLASE

(Comamonas
testosteroni) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		5 LEU A 454
SER A 452
SER A 635
VAL A 610
LEU A 621
 None
 1.33A 1ie9A-2dkhA:
undetectable		 1ie9A-2dkhA:
17.24
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.
2f7l 455AA LONG
HYPOTHETICAL
PHOSPHO-SUGAR MUTASE

(Sulfurisphaera
tokodaii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 LEU A 160
CYH A 197
HIS A 162
LEU A 348
HIS A 336
 None
 1.37A 1ie9A-2f7lA:
undetectable		 1ie9A-2f7lA:
20.09
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.
2g8s GLUCOSE/SORBOSONE
DEHYDROGENASES

(Escherichia
coli) 		PF07995
(GSDH) 		5 LEU A  38
LEU A  51
VAL A 109
VAL A  68
LEU A  70
 None
 1.19A 1ie9A-2g8sA:
undetectable		 1ie9A-2g8sA:
21.51
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.
2ju1 ERYTHRONOLIDE
SYNTHASE

(Saccharopolyspora
erythraea) 		PF00550
(PP-binding) 		5 LEU A  21
LEU A  24
VAL A  25
SER A  28
HIS A  80
 None
 1.31A 1ie9A-2ju1A:
undetectable		 1ie9A-2ju1A:
17.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2o4j VITAMIN D3 RECEPTOR

(Rattus
norvegicus) 		PF00104
(Hormone_recep) 		7 LEU A 229
VAL A 230
SER A 271
SER A 274
CYH A 284
LEU A 309
HIS A 301
 VD4  A 500 ( 4.8A)
VD4  A 500 ( 4.6A)
VD4  A 500 ( 3.9A)
VD4  A 500 ( 2.9A)
VD4  A 500 ( 3.4A)
None
VD4  A 500 ( 3.9A)
 1.39A 1ie9A-2o4jA:
39.3		 1ie9A-2o4jA:
90.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2o4j VITAMIN D3 RECEPTOR

(Rattus
norvegicus) 		PF00104
(Hormone_recep) 		12 TYR A 143
LEU A 226
LEU A 229
VAL A 230
SER A 233
SER A 271
SER A 274
CYH A 284
VAL A 296
HIS A 301
LEU A 309
HIS A 393
 VD4  A 500 ( 4.7A)
VD4  A 500 ( 4.5A)
VD4  A 500 ( 4.8A)
VD4  A 500 ( 4.6A)
VD4  A 500 ( 2.8A)
VD4  A 500 ( 3.9A)
VD4  A 500 ( 2.9A)
VD4  A 500 ( 3.4A)
VD4  A 500 ( 4.4A)
VD4  A 500 ( 3.9A)
None
VD4  A 500 ( 3.9A)
 0.29A 1ie9A-2o4jA:
39.3		 1ie9A-2o4jA:
90.73
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.
2qk2 LP04448P

(Drosophila
melanogaster) 		PF12348
(CLASP_N) 		5 TYR A 389
LEU A 437
LEU A 432
VAL A 475
LEU A 463
 None
 1.31A 1ie9A-2qk2A:
undetectable		 1ie9A-2qk2A:
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.
2qna IMPORTIN SUBUNIT
BETA-1

(Homo sapiens) 		PF13513
(HEAT_EZ) 		5 LEU A 736
LEU A 739
SER A 743
VAL A 790
LEU A 825
 None
 1.05A 1ie9A-2qnaA:
undetectable		 1ie9A-2qnaA:
15.88
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.
2wdu GLUTATHIONE
TRANSFERASE SIGMA
CLASS

(Fasciola
hepatica) 		PF14497
(GST_C_3) 		5 TYR A  93
LEU A 135
LEU A 138
VAL A 139
SER A 142
 DMS  A1212 ( 4.7A)
None
None
None
None
 1.09A 1ie9A-2wduA:
undetectable		 1ie9A-2wduA:
23.48
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.
2zkt 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Pyrococcus
horikoshii) 		PF01676
(Metalloenzyme)
PF10143
(PhosphMutase) 		5 LEU A  12
LEU A  15
HIS A 300
LEU A   9
HIS A  64
 None
 1.37A 1ie9A-2zktA:
undetectable		 1ie9A-2zktA:
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.
3abb CYTOCHROME P450
HYDROXYLASE

(Streptomyces
avermitilis) 		PF00067
(p450) 		5 LEU A 215
LEU A 214
SER A 112
VAL A 203
LEU A 228
 None
 1.22A 1ie9A-3abbA:
undetectable		 1ie9A-3abbA:
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.
3abg BILIRUBIN OXIDASE

(Albifimbria
verrucaria) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 SER A 272
SER A 231
SER A 198
HIS A 136
HIS A 134
 None
None
None
CU  A 701 (-3.2A)
CU  A 702 (-3.1A)
 1.25A 1ie9A-3abgA:
undetectable		 1ie9A-3abgA:
18.42
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.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 LEU A  96
LEU A  92
VAL A 101
HIS A  98
HIS A  69
 None
 1.33A 1ie9A-3anxA:
undetectable		 1ie9A-3anxA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aqc COMPONENT A OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE
COMPONENT B OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE

(Micrococcus
luteus) 		PF00348
(polyprenyl_synt)
no annotation 		5 SER A 107
VAL B  82
HIS B  83
LEU B 115
HIS B 113
 None
None
2DE  B 329 ( 4.5A)
None
None
 1.18A 1ie9A-3aqcA:
3.0		 1ie9A-3aqcA:
21.40
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.
3clm TRANSALDOLASE

(Neisseria
gonorrhoeae) 		PF00923
(TAL_FSA) 		5 LEU A  19
LEU A  23
VAL A  24
SER A  26
VAL A 104
 None
 1.39A 1ie9A-3clmA:
undetectable		 1ie9A-3clmA:
21.61
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.
3e29 UNCHARACTERIZED
PROTEIN Q7WE92_BORBR

(Bordetella
bronchiseptica) 		PF03061
(4HBT) 		5 LEU A  58
LEU A  61
VAL A  62
VAL A 124
HIS A  88
 None
 1.26A 1ie9A-3e29A:
undetectable		 1ie9A-3e29A:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ec1 YQEH GTPASE

(Geobacillus
stearothermophilus) 		PF01926
(MMR_HSR1) 		5 LEU A 326
LEU A 352
VAL A 353
CYH A 345
VAL A 362
 None
 1.29A 1ie9A-3ec1A:
undetectable		 1ie9A-3ec1A:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 LEU A 254
LEU A 253
CYH A  89
VAL A 105
LEU A  56
 None
 1.24A 1ie9A-3hrdA:
undetectable		 1ie9A-3hrdA:
19.16
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.
3j3i CAPSID PROTEIN

(Penicillium
chrysogenum
virus) 		no annotation 5 LEU A 306
LEU A 310
SER A 313
SER A 585
VAL A 304
 None
 1.35A 1ie9A-3j3iA:
undetectable		 1ie9A-3j3iA:
13.51
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.
3ml5 CARBONIC ANHYDRASE 7

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 LEU A 148
VAL A 146
SER A  65
HIS A 154
LEU A 160
 None
 1.30A 1ie9A-3ml5A:
undetectable		 1ie9A-3ml5A:
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.
3mn8 LP15968P

(Drosophila
melanogaster) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		5 LEU A 128
LEU A 131
VAL A 132
SER A 134
LEU A 139
 None
 1.30A 1ie9A-3mn8A:
undetectable		 1ie9A-3mn8A:
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.
3nk4 ZONA PELLUCIDA 3

(Gallus gallus) 		PF00100
(Zona_pellucida)
no annotation 		5 LEU A 297
LEU A 224
VAL A 299
SER A 215
VAL C 372
 None
 1.38A 1ie9A-3nk4A:
undetectable		 1ie9A-3nk4A:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o01 CELL INVASION
PROTEIN SIPD

(Salmonella
enterica) 		PF06511
(IpaD) 		5 LEU A  87
LEU A  90
SER A  93
SER A 333
VAL A 138
 None
 0.94A 1ie9A-3o01A:
undetectable		 1ie9A-3o01A:
24.36
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.
3of7 REGULATOR OF
CHROMOSOME
CONDENSATION

(Saccharomyces
cerevisiae) 		PF00415
(RCC1)
PF13540
(RCC1_2) 		5 LEU A 324
VAL A 296
SER A 342
CYH A 354
VAL A 318
 None
 1.21A 1ie9A-3of7A:
undetectable		 1ie9A-3of7A:
19.83
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.
3qm1 CINNAMOYL ESTERASE

(Lactobacillus
johnsonii) 		PF12146
(Hydrolase_4) 		5 LEU A 191
SER A 113
VAL A 200
HIS A 225
HIS A 105
 None
CL  A 292 (-4.9A)
None
ZYC  A 245 ( 3.9A)
ZYC  A 245 ( 4.4A)
 1.35A 1ie9A-3qm1A:
undetectable		 1ie9A-3qm1A:
18.64
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.
3s2j DIPEPTIDASE

(Streptomyces
coelicolor) 		PF01244
(Peptidase_M19) 		5 LEU A 233
LEU A 230
VAL A 229
SER A 213
VAL A 208
 None
 1.39A 1ie9A-3s2jA:
undetectable		 1ie9A-3s2jA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3siv NHP2-LIKE PROTEIN 1

(Homo sapiens) 		PF01248
(Ribosomal_L7Ae) 		5 LEU A  22
LEU A  25
VAL A  26
SER A  29
VAL A  81
 None
 1.10A 1ie9A-3sivA:
undetectable		 1ie9A-3sivA:
18.97
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.
3tix CHROMO
DOMAIN-CONTAINING
PROTEIN 1

(Schizosaccharomyces
pombe) 		no annotation 5 LEU B 818
LEU B 907
VAL B 816
SER B 815
VAL B 854
 None
 1.09A 1ie9A-3tixB:
undetectable		 1ie9A-3tixB:
22.80
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		5 LEU A1212
LEU A1209
VAL A1203
SER A1240
VAL A1247
 None
 1.32A 1ie9A-3ummA:
undetectable		 1ie9A-3ummA:
11.71
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.
3w04 DWARF 88 ESTERASE

(Oryza sativa) 		PF12697
(Abhydrolase_6) 		5 TYR A 182
LEU A 253
VAL A 252
SER A 173
LEU A 122
 EDO  A 402 (-4.2A)
None
None
None
None
 1.29A 1ie9A-3w04A:
undetectable		 1ie9A-3w04A:
21.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wgp VITAMIN D3 RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		12 TYR A 143
LEU A 230
LEU A 233
VAL A 234
SER A 237
SER A 275
SER A 278
CYH A 288
VAL A 300
HIS A 305
LEU A 313
HIS A 397
 ED9  A 501 (-3.7A)
ED9  A 501 ( 4.6A)
ED9  A 501 ( 4.3A)
None
ED9  A 501 (-2.7A)
ED9  A 501 (-3.9A)
ED9  A 501 (-2.7A)
ED9  A 501 (-3.4A)
ED9  A 501 (-4.5A)
ED9  A 501 (-3.9A)
None
ED9  A 501 (-3.9A)
 0.17A 1ie9A-3wgpA:
42.6		 1ie9A-3wgpA:
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.
3wy7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00155
(Aminotran_1_2) 		5 LEU A 197
LEU A 186
SER A 124
SER A 128
LEU A 112
 None
 1.31A 1ie9A-3wy7A:
undetectable		 1ie9A-3wy7A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 LEU B1873
LEU B1770
VAL B1850
HIS B1851
HIS B1878
 None
None
None
CUO  B9005 (-3.2A)
CUO  B9005 (-3.3A)
 1.35A 1ie9A-4bedB:
undetectable		 1ie9A-4bedB:
10.51
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.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		5 SER B 121
SER B 337
VAL B 314
LEU A 322
HIS B 255
 None
 1.17A 1ie9A-4cakB:
undetectable		 1ie9A-4cakB:
16.79
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.
4czx PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Neurospora
crassa) 		no annotation 5 VAL A 225
SER A 198
SER A 159
CYH A 163
VAL A 246
 None
 1.34A 1ie9A-4czxA:
undetectable		 1ie9A-4czxA:
19.70
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.
4dny METALLOPROTEASE STCE

(Escherichia
coli) 		no annotation 5 LEU A 174
LEU A 201
VAL A 180
HIS A 173
LEU A 162
 None
 1.35A 1ie9A-4dnyA:
undetectable		 1ie9A-4dnyA:
17.69
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.
4f99 CELL DIVISION CYCLE
7-RELATED PROTEIN
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 550
LEU A 546
SER A 406
SER A 409
CYH A 462
 None
 1.19A 1ie9A-4f99A:
undetectable		 1ie9A-4f99A:
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.
4fgu LEGUMAIN

(Homo sapiens) 		PF01650
(Peptidase_C13) 		5 LEU A 366
LEU A 411
VAL A 407
SER A 424
VAL A 363
 None
 1.04A 1ie9A-4fguA:
undetectable		 1ie9A-4fguA:
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.
4gqo LMO0859 PROTEIN

(Listeria
monocytogenes) 		PF13416
(SBP_bac_8) 		5 TYR A 324
LEU A 122
LEU A 116
VAL A 119
VAL A 125
 None
 1.24A 1ie9A-4gqoA:
undetectable		 1ie9A-4gqoA:
20.32
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.
4ifp MALTOSE-BINDING
PERIPLASMIC
PROTEIN,NACHT, LRR
AND PYD
DOMAINS-CONTAINING
PROTEIN 1

(Escherichia
coli;
Homo sapiens) 		PF00619
(CARD)
PF13416
(SBP_bac_8) 		5 TYR A 342
LEU A 441
VAL A 375
VAL A 392
LEU A 401
 None
 1.39A 1ie9A-4ifpA:
undetectable		 1ie9A-4ifpA:
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.
4lc3 PUTATIVE
UDP-4-AMINO-4-DEOXY-
L-ARABINOSE--OXOGLUT
ARATE
AMINOTRANSFERASE

(Burkholderia
cenocepacia) 		PF01041
(DegT_DnrJ_EryC1) 		5 LEU A  69
LEU A  65
SER A 180
SER A  86
VAL A  80
 None
None
None
EDO  A 403 (-2.8A)
None
 1.33A 1ie9A-4lc3A:
undetectable		 1ie9A-4lc3A:
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.
4lu6 FLAVIN-DEPENDENT
TRYPTOPHAN
HALOGENASE REBH

(Lechevalieria
aerocolonigenes) 		PF04820
(Trp_halogenase) 		5 LEU A 371
SER A 350
SER A 349
CYH A 227
HIS A 374
 None
 1.39A 1ie9A-4lu6A:
undetectable		 1ie9A-4lu6A:
19.67
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.
4m7e PROTEIN
BRASSINOSTEROID
INSENSITIVE 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF12799
(LRR_4)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A 178
LEU A 153
VAL A 155
SER A 143
VAL A 194
 None
 1.38A 1ie9A-4m7eA:
undetectable		 1ie9A-4m7eA:
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.
4mqj HEMOGLOBIN SUBUNIT
GAMMA-2

(Homo sapiens) 		PF00042
(Globin) 		5 LEU B  71
LEU B  68
VAL B  67
VAL B 137
HIS B  92
 HEM  B 201 ( 4.6A)
None
HEM  B 201 ( 3.8A)
None
HEM  B 201 (-3.3A)
 1.24A 1ie9A-4mqjB:
undetectable		 1ie9A-4mqjB:
22.01
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.
4o00 TITIN

(Homo sapiens) 		PF00041
(fn3) 		5 LEU A  24
LEU A  12
VAL A  80
SER A  92
VAL A  67
 None
 1.32A 1ie9A-4o00A:
undetectable		 1ie9A-4o00A:
23.91
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.
4q6i T-CELL SURFACE
GLYCOPROTEIN CD4

(Homo sapiens) 		PF00047
(ig)
PF05790
(C2-set) 		5 LEU C   5
LEU C  96
VAL C  97
SER C  79
VAL C 161
 None
 1.38A 1ie9A-4q6iC:
undetectable		 1ie9A-4q6iC:
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.
4q73 PROLINE
DEHYDROGENASE

(Bradyrhizobium
diazoefficiens) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 LEU A 904
LEU A 900
VAL A 903
SER A 920
VAL A 933
 None
 1.32A 1ie9A-4q73A:
undetectable		 1ie9A-4q73A:
14.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rca SLIT AND NTRK-LIKE
PROTEIN 1

(Homo sapiens) 		PF13855
(LRR_8) 		5 LEU B 111
LEU B 129
VAL B 108
HIS B  88
LEU B  65
 None
 1.20A 1ie9A-4rcaB:
undetectable		 1ie9A-4rcaB:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4twe N-ACETYLATED-ALPHA-L
INKED ACIDIC
DIPEPTIDASE-LIKE
PROTEIN

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 LEU A  45
LEU A  40
SER A 580
VAL A  48
LEU A 393
 None
 1.38A 1ie9A-4tweA:
undetectable		 1ie9A-4tweA:
16.98
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.
4xsr ALR3699 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 5 LEU B 222
SER B 330
VAL B 261
LEU B 248
HIS B 205
 None
 1.39A 1ie9A-4xsrB:
undetectable		 1ie9A-4xsrB:
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.
4zo6 LIN1840 PROTEIN

(Listeria
innocua) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 LEU A  44
LEU A  43
HIS A  53
LEU A  23
HIS A 309
 None
 0.99A 1ie9A-4zo6A:
undetectable		 1ie9A-4zo6A:
16.92
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
GAMMA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 LEU B 310
LEU B 311
SER B 216
SER B 215
VAL B 347
 None
 1.36A 1ie9A-5a8rB:
undetectable		 1ie9A-5a8rB:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b3v BILIVERDIN REDUCTASE

(Synechocystis
sp. PCC 6803) 		no annotation 5 LEU B 124
LEU B 125
VAL B  98
SER B 308
VAL B 291
 None
 1.33A 1ie9A-5b3vB:
undetectable		 1ie9A-5b3vB:
21.77
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.
5cvv (ISO)EUGENOL
O-METHYLTRANSFERASE

(Clarkia breweri) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 LEU A 111
VAL A  54
SER A  53
VAL A  93
LEU A  84
 None
 1.24A 1ie9A-5cvvA:
undetectable		 1ie9A-5cvvA:
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.
5fqd DNA DAMAGE-BINDING
PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 LEU A1029
VAL A1028
SER A1027
VAL A1004
LEU A1000
 None
 1.19A 1ie9A-5fqdA:
undetectable		 1ie9A-5fqdA:
14.45
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		5 LEU A1070
LEU A1049
SER A1134
VAL A1065
LEU A1119
 None
 1.32A 1ie9A-5gzuA:
undetectable		 1ie9A-5gzuA:
13.68
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.
5h9f CRISPR SYSTEM
CASCADE SUBUNIT CASD

(Escherichia
coli) 		PF09704
(Cas_Cas5d) 		5 LEU J 120
LEU J   7
VAL J 118
CYH J  43
VAL J  61
 None
 1.38A 1ie9A-5h9fJ:
undetectable		 1ie9A-5h9fJ:
24.37
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.
5hy5 TRYPTOPHAN
6-HALOGENASE

(Streptomyces
toxytricini) 		PF04820
(Trp_halogenase) 		5 LEU A 377
SER A 356
SER A 355
CYH A 233
HIS A 380
 None
 1.20A 1ie9A-5hy5A:
undetectable		 1ie9A-5hy5A:
18.93
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.
5i2c GATS-LIKE PROTEIN 3

(Homo sapiens) 		PF13840
(ACT_7) 		5 LEU A  13
LEU A  69
VAL A  15
VAL A  55
LEU A  30
 None
 1.26A 1ie9A-5i2cA:
undetectable		 1ie9A-5i2cA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iuw ALDEHYDE
DEHYDROGENASE FAMILY
PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		no annotation 5 TYR A 458
LEU A 410
LEU A 309
VAL A 310
VAL A 391
 None
 1.31A 1ie9A-5iuwA:
undetectable		 1ie9A-5iuwA:
18.35
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.
5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Homo sapiens) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 LEU A 645
LEU A 652
VAL A 653
SER A 656
VAL A 545
 None
 1.30A 1ie9A-5iy9A:
undetectable		 1ie9A-5iy9A:
8.50
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.
5lb7 KATANIN P80 WD40
REPEAT-CONTAINING
SUBUNIT B1

(Mus musculus) 		PF13925
(Katanin_con80) 		5 LEU A 570
LEU A 632
VAL A 633
SER A 635
VAL A 578
 None
 1.33A 1ie9A-5lb7A:
undetectable		 1ie9A-5lb7A:
23.81
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.
5lf8 NUCLEOSIDE
DIPHOSPHATE-LINKED
MOIETY X MOTIF 17

(Homo sapiens) 		PF00293
(NUDIX) 		5 LEU A  93
LEU A 184
VAL A  95
CYH A  40
VAL A   4
 None
None
None
EMC  A 402 (-2.6A)
None
 1.31A 1ie9A-5lf8A:
undetectable		 1ie9A-5lf8A:
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.
5mlv -

(-) 		no annotation 5 LEU G 326
VAL G 180
SER G 230
SER G 234
VAL G 240
 None
 1.31A 1ie9A-5mlvG:
undetectable		 1ie9A-5mlvG:
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.
5mmj RIBOSOME-BINDING
FACTOR PSRP1,
CHLOROPLASTIC

(Spinacia
oleracea) 		no annotation 5 LEU y 116
VAL y  86
SER y  87
VAL y 114
LEU y  77
 None
 1.04A 1ie9A-5mmjy:
undetectable		 1ie9A-5mmjy:
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.
5n8p S-LAYER PROTEIN

(Caulobacter
vibrioides) 		PF00353
(HemolysinCabind) 		5 LEU A 720
LEU A 701
SER A 687
SER A 690
VAL A 738
 None
None
None
CA  A9017 (-4.8A)
None
 1.32A 1ie9A-5n8pA:
undetectable		 1ie9A-5n8pA:
11.76
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.
5n97 S-LAYER PROTEIN RSAA

(Caulobacter
vibrioides) 		PF00353
(HemolysinCabind) 		5 LEU A 720
LEU A 701
SER A 687
SER A 690
VAL A 738
 None
None
None
CA  A9017 (-4.8A)
None
 1.32A 1ie9A-5n97A:
undetectable		 1ie9A-5n97A:
13.64
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.
5nmi CYTOCHROME B

(Bos taurus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 LEU C 120
LEU C 121
VAL C  98
HIS C  97
HIS C 196
 HEM  C 502 ( 4.0A)
None
HEM  C 502 (-4.1A)
HEM  C 502 (-3.1A)
HEM  C 502 (-3.1A)
 1.38A 1ie9A-5nmiC:
undetectable		 1ie9A-5nmiC:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 LEU A 141
VAL A 140
SER A 134
SER A 161
VAL A 192
 None
None
SAH  A 414 ( 4.4A)
None
None
 1.37A 1ie9A-5u4tA:
undetectable		 1ie9A-5u4tA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uja BOVINE MULTIDRUG
RESISTANCE PROTEIN 1
(MRP1),MULTIDRUG
RESISTANCE-ASSOCIATE
D PROTEIN 1

(Bos taurus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 LEU A1243
LEU A1246
VAL A1247
SER A1250
VAL A1205
 None
 1.12A 1ie9A-5ujaA:
undetectable		 1ie9A-5ujaA:
11.08
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.
5uja BOVINE MULTIDRUG
RESISTANCE PROTEIN 1
(MRP1),MULTIDRUG
RESISTANCE-ASSOCIATE
D PROTEIN 1

(Bos taurus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 VAL A1233
SER A1234
SER A 996
VAL A 353
LEU A1224
 None
 1.38A 1ie9A-5ujaA:
undetectable		 1ie9A-5ujaA:
11.08
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.
5v76 MICROCOMPARTMENTS
PROTEIN

(Haliangium
ochraceum) 		no annotation 5 LEU A  37
VAL A  36
SER A  35
SER A  24
VAL A  46
 None
 1.13A 1ie9A-5v76A:
undetectable		 1ie9A-5v76A:
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.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 TYR A1028
LEU A1295
LEU A1293
VAL A1294
VAL A1299
 None
 1.12A 1ie9A-5vadA:
undetectable		 1ie9A-5vadA:
18.92
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.
5whr INDOLEAMINE
2,3-DIOXYGENASE 1

(Homo sapiens) 		no annotation 5 LEU A 388
SER A 263
VAL A 391
LEU A 292
HIS A 287
 HEM  A 501 ( 4.8A)
AOJ  A 502 (-4.1A)
HEM  A 501 (-4.7A)
None
None
 1.29A 1ie9A-5whrA:
undetectable		 1ie9A-5whrA:
14.34
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.
5ynl ARGINASE

(Glaciozyma
antarctica) 		no annotation 5 LEU A 108
LEU A  38
SER A  41
VAL A 106
LEU A 314
 None
 1.20A 1ie9A-5ynlA:
undetectable		 1ie9A-5ynlA:
14.34
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.
5yv5 ATPASE RIL

(Pyrococcus
furiosus) 		no annotation 5 VAL A 283
SER A 294
VAL A 486
HIS A 268
LEU A 273
 None
 1.18A 1ie9A-5yv5A:
undetectable		 1ie9A-5yv5A:
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.
6bc5 AAC 3-VI PROTEIN

(Enterobacter
cloacae) 		no annotation 5 LEU A  33
LEU A 266
VAL A  35
VAL A 259
LEU A  60
 None
 1.23A 1ie9A-6bc5A:
undetectable		 1ie9A-6bc5A:
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.
6f2s COAT PROTEIN SUBUNIT
I

(Ageratum yellow
vein virus) 		no annotation 5 TYR I  78
LEU I 180
LEU I 140
VAL I 141
SER I  94
 None
 1.24A 1ie9A-6f2sI:
undetectable		 1ie9A-6f2sI:
14.29
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.
6fob VITAMIN D3 RECEPTOR
A

(Danio rerio) 		no annotation 9 TYR A 175
LEU A 258
LEU A 261
SER A 265
SER A 303
SER A 306
CYH A 316
VAL A 328
LEU A 341
 None
DZW  A 501 (-3.8A)
DZW  A 501 ( 4.5A)
DZW  A 501 (-3.0A)
DZW  A 501 (-3.8A)
DZW  A 501 (-2.7A)
DZW  A 501 (-3.4A)
DZW  A 501 ( 4.3A)
None
 0.81A 1ie9A-6fobA:
37.3		 1ie9A-6fobA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fob VITAMIN D3 RECEPTOR
A

(Danio rerio) 		no annotation 11 TYR A 175
LEU A 261
VAL A 262
SER A 265
SER A 303
SER A 306
CYH A 316
VAL A 328
HIS A 333
LEU A 341
HIS A 423
 None
DZW  A 501 ( 4.5A)
None
DZW  A 501 (-3.0A)
DZW  A 501 (-3.8A)
DZW  A 501 (-2.7A)
DZW  A 501 (-3.4A)
DZW  A 501 ( 4.3A)
DZW  A 501 (-3.9A)
None
DZW  A 501 (-4.0A)
 0.36A 1ie9A-6fobA:
37.3		 1ie9A-6fobA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cqy BETA-AMYLASE

(Bacillus cereus) 		PF00686
(CBM_20) 		4 LEU A 458
ILE A 479
ARG A 443
TRP A 449
 None
 1.22A 1ie9A-1cqyA:
undetectable		 1ie9A-1cqyA:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ejb LUMAZINE SYNTHASE

(Saccharomyces
cerevisiae) 		PF00885
(DMRL_synthase) 		4 LEU A 109
ILE A  31
ARG A  28
TRP A  26
 None
None
None
INJ  A 200 (-3.9A)
 1.44A 1ie9A-1ejbA:
undetectable		 1ie9A-1ejbA:
19.10
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.
1f8r L-AMINO ACID OXIDASE

(Calloselasma
rhodostoma) 		PF01593
(Amino_oxidase) 		4 LEU A  91
ILE A 430
ARG A 322
TRP A 420
 None
FAD  A 527 (-4.7A)
CIT  A 526 (-3.3A)
FAD  A 527 (-3.8A)
 1.38A 1ie9A-1f8rA:
0.0		 1ie9A-1f8rA:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jiu DNA
BETA-GLUCOSYLTRANSFE
RASE

(Escherichia
virus T4) 		PF09198
(T4-Gluco-transf) 		4 LEU A 324
ILE A 255
ARG A 269
TRP A 271
 None
None
UDP  A 353 (-3.9A)
None
 1.04A 1ie9A-1jiuA:
0.0		 1ie9A-1jiuA:
22.31
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.
1wh0 UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 19

(Homo sapiens) 		PF04969
(CS) 		4 LEU A  67
ILE A  58
ARG A  80
TRP A  81
 None
 1.43A 1ie9A-1wh0A:
0.0		 1ie9A-1wh0A:
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.
2adf 82D6A3 IGG

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU L 124
ILE L 149
ARG L 154
TRP L 147
 None
 1.09A 1ie9A-2adfL:
undetectable		 1ie9A-2adfL:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gbx BIPHENYL
2,3-DIOXYGENASE
ALPHA SUBUNIT

(Sphingobium
yanoikuyae) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 LEU A 190
ILE A 370
ARG A  17
TRP A  21
 None
 1.42A 1ie9A-2gbxA:
0.0		 1ie9A-2gbxA:
19.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2o4j VITAMIN D3 RECEPTOR

(Rattus
norvegicus) 		PF00104
(Hormone_recep) 		4 LEU A 223
ILE A 267
ARG A 270
TRP A 282
 None
VD4  A 500 ( 4.7A)
VD4  A 500 ( 4.0A)
VD4  A 500 ( 3.7A)
 0.29A 1ie9A-2o4jA:
39.3		 1ie9A-2o4jA:
90.73
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.
3ayf NITRIC OXIDE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00115
(COX1) 		4 LEU A 393
ILE A 439
ARG A 435
TRP A 437
 None
 1.30A 1ie9A-3ayfA:
0.0		 1ie9A-3ayfA:
15.94
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.
3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA

(Escherichia
coli) 		PF00873
(ACR_tran) 		4 LEU A  23
ILE A 499
ARG A  13
TRP A 504
 None
 1.46A 1ie9A-3ne5A:
0.0		 1ie9A-3ne5A:
13.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wgp VITAMIN D3 RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 LEU A 227
ILE A 271
ARG A 274
TRP A 286
 None
ED9  A 501 (-4.5A)
ED9  A 501 (-2.9A)
ED9  A 501 (-3.5A)
 0.30A 1ie9A-3wgpA:
42.6		 1ie9A-3wgpA:
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.
4pb0 AB53 LIGHT CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU L 125
ILE L 150
ARG L 155
TRP L 148
 None
 1.42A 1ie9A-4pb0L:
undetectable		 1ie9A-4pb0L:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pmu ENDO-1,4-BETA-XYLANA
SE A

(Xanthomonas
citri) 		PF00331
(Glyco_hydro_10) 		4 LEU A 195
ILE A 156
ARG A 164
TRP A 168
 None
 1.41A 1ie9A-4pmuA:
undetectable		 1ie9A-4pmuA:
18.41
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.
4qb9 ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN

(Mycolicibacterium
smegmatis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		4 LEU A 254
ILE A 174
ARG A 177
TRP A 178
 None
 1.26A 1ie9A-4qb9A:
undetectable		 1ie9A-4qb9A:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xri PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		4 LEU A 806
ILE A 839
ARG A 860
TRP A 858
 None
 1.21A 1ie9A-4xriA:
undetectable		 1ie9A-4xriA:
12.15
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.
4ziu UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF07678
(A2M_comp) 		4 LEU A1569
ILE A1511
ARG A1509
TRP A1533
 None
 1.46A 1ie9A-4ziuA:
undetectable		 1ie9A-4ziuA:
18.76
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.
5ts5 AMINE OXIDASE

(Bothrops atrox) 		PF01593
(Amino_oxidase) 		4 LEU A  91
ILE A 430
ARG A 322
TRP A 420
 None
FAD  A 501 (-4.6A)
None
FAD  A 501 (-4.3A)
 1.39A 1ie9A-5ts5A:
undetectable		 1ie9A-5ts5A:
21.38
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.
6fob VITAMIN D3 RECEPTOR
A

(Danio rerio) 		no annotation 4 LEU A 255
ILE A 299
ARG A 302
TRP A 314
 None
DZW  A 501 (-4.7A)
DZW  A 501 (-3.8A)
DZW  A 501 (-3.5A)
 0.32A 1ie9A-6fobA:
37.3		 1ie9A-6fobA:
23.26