SIMILAR PATTERNS OF AMINO ACIDS FOR 1IOL_A_ESTA400

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1a27 17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		8 SER A 142
VAL A 143
GLY A 144
LEU A 149
MET A 193
HIS A 221
PHE A 259
GLU A 282
 EST  A 350 (-3.0A)
EST  A 350 (-4.5A)
EST  A 350 (-3.4A)
EST  A 350 (-4.4A)
EST  A 350 (-4.8A)
None
EST  A 350 (-4.0A)
EST  A 350 ( 4.6A)
 1.08A 1iolA-1a27A:
42.9		 1iolA-1a27A:
99.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1a27 17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		10 SER A 142
VAL A 143
GLY A 144
LEU A 149
TYR A 155
GLY A 186
TYR A 218
HIS A 221
PHE A 259
GLU A 282
 EST  A 350 (-3.0A)
EST  A 350 (-4.5A)
EST  A 350 (-3.4A)
EST  A 350 (-4.4A)
EST  A 350 (-4.2A)
EST  A 350 (-4.1A)
None
None
EST  A 350 (-4.0A)
EST  A 350 ( 4.6A)
 0.67A 1iolA-1a27A:
42.9		 1iolA-1a27A:
99.65
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.
1azw PROLINE
IMINOPEPTIDASE

(Xanthomonas
citri) 		PF00561
(Abhydrolase_1) 		5 SER A  71
GLY A  72
GLY A  46
MET A  52
PHE A 222
 None
 1.33A 1iolA-1azwA:
4.2		 1iolA-1azwA:
23.74
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.
1b25 PROTEIN
(FORMALDEHYDE
FERREDOXIN
OXIDOREDUCTASE)

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 SER A 345
VAL A 392
GLY A 391
LEU A  84
TYR A 171
 None
 1.15A 1iolA-1b25A:
undetectable		 1iolA-1b25A:
21.01
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.
1cnz PROTEIN
(3-ISOPROPYLMALATE
DEHYDROGENASE)

(Salmonella
enterica) 		PF00180
(Iso_dh) 		5 SER A 312
TYR A 280
GLY A 276
HIS A 101
GLU A  66
 None
 1.44A 1iolA-1cnzA:
undetectable		 1iolA-1cnzA:
22.38
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.
1dbn PROTEIN
(LEUKOAGGLUTININ)

(Maackia
amurensis) 		PF00139
(Lectin_legB) 		5 SER A 155
LEU A 109
GLY A 147
HIS A 228
GLU A 226
 MN  A 302 ( 4.1A)
None
None
None
None
 1.45A 1iolA-1dbnA:
undetectable		 1iolA-1dbnA:
23.66
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.
1dl2 CLASS I
ALPHA-1,2-MANNOSIDAS
E

(Saccharomyces
cerevisiae) 		PF01532
(Glyco_hydro_47) 		5 GLY A 349
LEU A 286
TYR A 297
GLY A 344
PHE A 442
 None
 0.97A 1iolA-1dl2A:
undetectable		 1iolA-1dl2A:
19.39
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.
1e5w MOESIN

(Homo sapiens) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		5 VAL A 220
GLY A 219
LEU A 218
TYR A 228
GLY A 224
 None
 1.10A 1iolA-1e5wA:
undetectable		 1iolA-1e5wA:
22.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fdw 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		8 SER A 142
VAL A 143
GLY A 144
LEU A 149
TYR A 155
GLY A 186
TYR A 218
PHE A 259
 EST  A 350 (-4.3A)
EST  A 350 (-4.8A)
EST  A 350 ( 4.5A)
EST  A 350 (-4.6A)
None
EST  A 350 (-4.0A)
None
EST  A 350 (-4.4A)
 0.52A 1iolA-1fdwA:
42.8		 1iolA-1fdwA:
99.08
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.
1g7y STEM/LEAF LECTIN
DB58

(Vigna
unguiculata) 		PF00139
(Lectin_legB) 		5 SER A 148
LEU A 105
GLY A 140
HIS A 222
GLU A 220
 MN  A 257 ( 4.3A)
None
None
None
None
 1.44A 1iolA-1g7yA:
undetectable		 1iolA-1g7yA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gc7 RADIXIN

(Mus musculus) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		5 VAL A 220
GLY A 219
LEU A 218
TYR A 228
GLY A 224
 VAL  A 220 ( 0.6A)
GLY  A 219 ( 0.0A)
LEU  A 218 ( 0.6A)
TYR  A 228 ( 1.3A)
GLY  A 224 ( 0.0A)
 1.15A 1iolA-1gc7A:
undetectable		 1iolA-1gc7A:
20.58
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.
1gg3 ERYTHROID MEMBRANE
PROTEIN 4.1R

(Homo sapiens) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		5 VAL A 206
GLY A 205
LEU A 204
TYR A 214
GLY A 210
 None
 1.20A 1iolA-1gg3A:
undetectable		 1iolA-1gg3A:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gzc ERYTHRINA
CRISTA-GALLI LECTIN

(Erythrina
crista-galli) 		PF00139
(Lectin_legB) 		5 SER A 152
LEU A 109
GLY A 144
HIS A 226
GLU A 224
 MN  A 289 ( 4.1A)
None
None
None
None
 1.44A 1iolA-1gzcA:
undetectable		 1iolA-1gzcA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h1y D-RIBULOSE-5-PHOSPHA
TE 3-EPIMERASE

(Oryza sativa) 		PF00834
(Ribul_P_3_epim) 		5 SER A 202
GLY A 182
LEU A 216
GLY A 200
MET A  27
 None
None
None
SO4  A1224 (-3.5A)
None
 1.32A 1iolA-1h1yA:
undetectable		 1iolA-1h1yA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iy8 LEVODIONE REDUCTASE

(Leifsonia
aquatica) 		PF13561
(adh_short_C2) 		5 SER A 152
VAL A 153
GLY A 154
TYR A 165
GLY A 196
 NAD  A1268 (-2.5A)
None
None
MRD  A1269 ( 3.9A)
NAD  A1268 (-3.8A)
 0.37A 1iolA-1iy8A:
27.9		 1iolA-1iy8A:
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.
1j6u UDP-N-ACETYLMURAMATE
-ALANINE LIGASE MURC

(Thermotoga
maritima) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 GLY A 180
LEU A 215
GLY A 109
HIS A 218
GLU A 198
 None
 1.34A 1iolA-1j6uA:
4.6		 1iolA-1j6uA:
21.25
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.
1m64 FLAVOCYTOCHROME C3

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 VAL A 253
GLY A 254
GLY A 170
MET A 375
HIS A 505
 None
None
FAD  A3000 ( 3.4A)
FAD  A3000 ( 3.5A)
FAD  A3000 (-4.1A)
 1.21A 1iolA-1m64A:
4.7		 1iolA-1m64A:
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.
1m7j D-AMINOACYLASE

(Alcaligenes
faecalis) 		PF07969
(Amidohydro_3) 		5 VAL A  32
GLY A  31
LEU A  12
GLY A 460
HIS A 454
 None
 1.43A 1iolA-1m7jA:
undetectable		 1iolA-1m7jA:
22.09
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.
1oqv TOXIN-COREGULATED
PILUS SUBUNIT

(Vibrio cholerae) 		PF05946
(TcpA) 		5 SER A  75
VAL A  74
GLY A  72
GLY A  77
TYR A  51
 None
 1.31A 1iolA-1oqvA:
undetectable		 1iolA-1oqvA:
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.
1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)

(Klebsiella
pneumoniae) 		PF00148
(Oxidored_nitro) 		5 SER A 107
VAL A 102
GLY A 101
TYR A  99
GLY A 104
 None
None
MG  A3001 ( 4.1A)
None
None
 1.33A 1iolA-1qguA:
2.9		 1iolA-1qguA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r2j PROTEIN FKBI

(Streptomyces
hygroscopicus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 SER A 228
VAL A 229
GLY A 225
GLY A 232
HIS A 191
 None
None
None
None
FAD  A 399 (-4.1A)
 1.29A 1iolA-1r2jA:
undetectable		 1iolA-1r2jA:
24.30
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.
1sbd SOYBEAN AGGLUTININ

(Glycine max) 		PF00139
(Lectin_legB) 		5 SER A 148
LEU A 108
GLY A 140
HIS A 221
GLU A 219
 MN  A 600 ( 4.2A)
None
None
None
None
 1.39A 1iolA-1sbdA:
undetectable		 1iolA-1sbdA:
21.49
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.
1vcn CTP SYNTHETASE

(Thermus
thermophilus) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 SER A 491
VAL A 490
LEU A 394
HIS A 471
GLU A 474
 None
 1.42A 1iolA-1vcnA:
3.4		 1iolA-1vcnA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ve1 O-ACETYLSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 SER A 264
GLY A 261
LEU A 300
GLY A 266
PHE A 217
 None
 1.25A 1iolA-1ve1A:
3.8		 1iolA-1ve1A:
25.34
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.
1x55 ASPARAGINYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 GLY A 165
LEU A 191
TYR A 385
GLY A 169
GLU A 228
 None
None
None
None
NSS  A3002 (-3.8A)
 1.22A 1iolA-1x55A:
undetectable		 1iolA-1x55A:
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.
2akc CLASS A NONSPECIFIC
ACID PHOSPHATASE
PHON

(Salmonella
enterica) 		PF01569
(PAP2) 		5 VAL A 113
GLY A 114
LEU A 164
TYR A 161
PHE A  26
 None
 1.28A 1iolA-2akcA:
undetectable		 1iolA-2akcA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2an2 P332G A333S DOUBLE
MUTANT OF NITRIC
OXIDE SYNTHASE FROM
BACILLUS SUBTILIS

(Bacillus
subtilis) 		PF02898
(NO_synthase) 		5 VAL A 221
GLY A 222
TYR A  41
TYR A  15
GLU A  17
 None
 1.27A 1iolA-2an2A:
undetectable		 1iolA-2an2A:
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.
2bmo OXYGENASE-ALPHA NBDO

(Comamonas sp.
JS765) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 SER A 242
GLY A 162
LEU A 161
GLY A 247
TYR A 147
 None
 1.41A 1iolA-2bmoA:
undetectable		 1iolA-2bmoA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c9j GREEN FLUORESCENT
PROTEIN FP512

(Cerianthus
membranaceus) 		PF01353
(GFP) 		5 VAL A  12
GLY A  27
LEU A  40
GLY A 116
GLU A 212
 None
None
CRQ  A  62 ( 4.6A)
None
CRQ  A  62 ( 3.4A)
 1.38A 1iolA-2c9jA:
undetectable		 1iolA-2c9jA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dhn 7,8-DIHYDRONEOPTERIN
ALDOLASE

(Staphylococcus
aureus) 		PF02152
(FolB) 		5 VAL A 112
GLY A 113
LEU A  73
GLY A 111
GLU A  22
 None
None
PH2  A 122 (-3.8A)
None
PH2  A 122 (-2.8A)
 1.03A 1iolA-2dhnA:
undetectable		 1iolA-2dhnA:
17.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eig LECTIN

(Lotus
tetragonolobus) 		PF00139
(Lectin_legB) 		5 SER A 145
LEU A 102
GLY A 137
HIS A 216
GLU A 214
 MN  A1101 ( 4.1A)
None
None
None
None
 1.26A 1iolA-2eigA:
undetectable		 1iolA-2eigA:
20.90
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.
2faf PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Gallus gallus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 SER A 258
GLY A 253
TYR A 185
GLY A 256
HIS A 420
 None
None
None
1PE  A1262 (-3.3A)
None
 1.14A 1iolA-2fafA:
undetectable		 1iolA-2fafA:
20.95
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.
2gw1 MITOCHONDRIAL
PRECURSOR PROTEINS
IMPORT RECEPTOR

(Saccharomyces
cerevisiae) 		PF00515
(TPR_1)
PF13181
(TPR_8)
PF13432
(TPR_16) 		5 LEU A 290
TYR A 298
GLY A 262
PHE A 264
GLU A 334
 None
 1.44A 1iolA-2gw1A:
undetectable		 1iolA-2gw1A:
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.
2hxg L-ARABINOSE
ISOMERASE

(Escherichia
coli) 		PF02610
(Arabinose_Isome)
PF11762
(Arabinose_Iso_C) 		5 VAL A 293
GLY A 290
LEU A 288
PHE A 303
GLU A 306
 None
None
None
None
MN  A 501 (-2.8A)
 1.45A 1iolA-2hxgA:
3.9		 1iolA-2hxgA:
22.85
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.
2o3j UDP-GLUCOSE
6-DEHYDROGENASE

(Caenorhabditis
elegans) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 SER A 276
VAL A 277
GLY A 278
GLY A 446
PHE A 321
 None
 1.44A 1iolA-2o3jA:
5.9		 1iolA-2o3jA:
20.44
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.
2pgs PUTATIVE
DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE

(Pseudomonas
savastanoi) 		PF01966
(HD) 		5 VAL A  81
GLY A  82
LEU A  98
HIS A 233
PHE A 314
 None
 1.36A 1iolA-2pgsA:
undetectable		 1iolA-2pgsA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pqd 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Agrobacterium
sp.) 		PF00275
(EPSP_synthase) 		5 VAL A  82
GLY A  86
LEU A  88
TYR A 113
GLY A  39
 None
 1.28A 1iolA-2pqdA:
undetectable		 1iolA-2pqdA:
25.86
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.
2qjo BIFUNCTIONAL NMN
ADENYLYLTRANSFERASE/
NUDIX HYDROLASE

(Synechocystis
sp. PCC 6803) 		PF00293
(NUDIX)
PF01467
(CTP_transf_like) 		5 GLY A 110
LEU A 109
TYR A 128
GLY A 132
GLU A  30
 NAD  A 601 ( 3.7A)
None
None
None
None
 1.40A 1iolA-2qjoA:
4.8		 1iolA-2qjoA:
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.
2qne PUTATIVE
METHYLTRANSFERASE

(Desulfitobacterium
hafniense) 		PF06253
(MTTB) 		5 SER A 196
GLY A 163
MET A  91
TYR A 114
GLU A 136
 None
EDO  A 477 ( 4.6A)
None
None
None
 1.34A 1iolA-2qneA:
undetectable		 1iolA-2qneA:
22.42
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.
2qor GUANYLATE KINASE

(Plasmodium
vivax) 		PF00625
(Guanylate_kin) 		5 VAL A  15
GLY A  16
LEU A  20
GLY A  11
GLU A 181
 POP  A 198 (-3.8A)
POP  A 198 (-3.3A)
None
None
None
 0.90A 1iolA-2qorA:
3.3		 1iolA-2qorA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rsv SERINE/THREONINE-PRO
TEIN KINASE VRK1

(Homo sapiens) 		PF00069
(Pkinase) 		5 SER A  61
VAL A  62
GLY A  63
LEU A  41
GLY A  26
 None
 1.41A 1iolA-2rsvA:
undetectable		 1iolA-2rsvA:
22.57
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.
2vc2 INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF13517
(VCBS) 		5 GLY A 184
LEU A 195
GLY A 187
TYR A 274
GLU A 268
 None
 1.40A 1iolA-2vc2A:
undetectable		 1iolA-2vc2A:
23.52
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.
2zat DEHYDROGENASE/REDUCT
ASE SDR FAMILY
MEMBER 4

(Sus scrofa) 		PF13561
(adh_short_C2) 		5 SER A 151
VAL A 152
GLY A 153
TYR A 164
GLY A 195
 NAP  A1261 ( 3.4A)
None
None
NAP  A1261 ( 4.6A)
None
 0.53A 1iolA-2zatA:
27.4		 1iolA-2zatA:
28.40
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.
3a0g HEMOGLOBIN SUBUNIT
ALPHA

(Cavia porcellus) 		PF00042
(Globin) 		5 VAL A  25
GLY A  28
LEU A 101
GLY A  59
HIS A  87
 None
None
HEM  A 201 (-4.1A)
None
HEM  A 201 (-3.3A)
 1.11A 1iolA-3a0gA:
undetectable		 1iolA-3a0gA:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		5 GLY A 124
LEU A  74
GLY A 149
HIS A 167
GLU A 212
 ACA  A 601 ( 3.9A)
None
None
None
None
 1.17A 1iolA-3a2qA:
undetectable		 1iolA-3a2qA:
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.
3ai2 NADPH-SORBOSE
REDUCTASE

(Gluconobacter
frateurii) 		PF13561
(adh_short_C2) 		5 SER A 144
LEU A 151
TYR A 157
GLY A 188
GLU A 220
 NDP  A 270 ( 3.7A)
None
NDP  A 270 (-4.6A)
None
None
 0.99A 1iolA-3ai2A:
27.3		 1iolA-3ai2A:
26.79
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.
3d6k PUTATIVE
AMINOTRANSFERASE

(Corynebacterium
diphtheriae) 		PF12897
(Aminotran_MocR) 		5 VAL A 191
GLY A 190
GLY A 161
HIS A 141
PHE A 193
 None
 1.38A 1iolA-3d6kA:
undetectable		 1iolA-3d6kA:
24.71
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.
3e1h PUTATIVE
UNCHARACTERIZED
PROTEIN

(Neurospora
crassa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 VAL A 261
LEU A 250
GLY A 206
HIS A 305
PHE A 210
 None
 1.37A 1iolA-3e1hA:
undetectable		 1iolA-3e1hA:
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.
3g1w SUGAR ABC
TRANSPORTER

(Bacillus
halodurans) 		PF13407
(Peripla_BP_4) 		5 GLY A 144
LEU A 143
TYR A 316
GLY A 320
TYR A 291
 None
 1.41A 1iolA-3g1wA:
5.4		 1iolA-3g1wA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gk3 ACETOACETYL-COA
REDUCTASE

(Burkholderia
pseudomallei) 		PF13561
(adh_short_C2) 		5 SER A 141
VAL A 142
GLY A 144
TYR A 154
GLY A 185
 PO4  A 249 (-2.7A)
None
None
PO4  A 249 (-4.6A)
PO4  A 249 (-4.8A)
 1.15A 1iolA-3gk3A:
26.9		 1iolA-3gk3A:
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.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 SER A 241
GLY A 393
LEU A 388
GLY A 237
GLU A 199
 None
RAB  A 602 ( 3.8A)
RAB  A 602 ( 4.7A)
None
RAB  A 602 (-4.6A)
 1.36A 1iolA-3glqA:
7.3		 1iolA-3glqA:
24.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i4k MUCONATE LACTONIZING
ENZYME

(Corynebacterium
glutamicum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 SER A  31
GLY A  57
LEU A 305
GLY A  25
GLU A 329
 SER  A  31 ( 0.0A)
GLY  A  57 ( 0.0A)
LEU  A 305 ( 0.6A)
GLY  A  25 ( 0.0A)
GLU  A 329 ( 0.6A)
 1.45A 1iolA-3i4kA:
3.3		 1iolA-3i4kA:
23.44
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.
3knw PUTATIVE
TRANSCRIPTIONAL
REGULATOR (TETR/ACRR
FAMILY)

(Acinetobacter
sp. ADP1) 		PF00440
(TetR_N)
PF16925
(TetR_C_13) 		5 VAL A  32
GLY A  33
LEU A  34
TYR A  49
PHE A  29
 None
 1.37A 1iolA-3knwA:
2.3		 1iolA-3knwA:
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.
3lfv CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF01590
(GAF) 		5 VAL A 279
GLY A 280
LEU A 189
GLY A 311
GLU A 321
 None
 1.18A 1iolA-3lfvA:
undetectable		 1iolA-3lfvA:
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.
3myv SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 SER A 290
GLY A 292
LEU A 341
GLY A  60
PHE A  64
 None
None
EDO  A 505 ( 4.7A)
None
EDO  A 505 (-3.8A)
 0.96A 1iolA-3myvA:
undetectable		 1iolA-3myvA:
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.
3nx3 ACETYLORNITHINE
AMINOTRANSFERASE

(Campylobacter
jejuni) 		PF00202
(Aminotran_3) 		5 SER A 228
GLY A 229
LEU A 302
GLY A 224
PHE A 232
 None
 1.36A 1iolA-3nx3A:
3.3		 1iolA-3nx3A:
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.
3oc7 ENOYL-COA HYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 VAL A 123
GLY A 124
LEU A 155
GLY A 119
TYR A 168
 None
 1.13A 1iolA-3oc7A:
undetectable		 1iolA-3oc7A:
25.23
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.
3pxx CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 SER A 150
VAL A 151
GLY A 153
TYR A 174
MET A 217
 NAD  A 284 (-3.7A)
None
None
NAD  A 284 (-4.5A)
None
 1.04A 1iolA-3pxxA:
24.6		 1iolA-3pxxA:
27.12
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.
3s83 GGDEF FAMILY PROTEIN

(Caulobacter
vibrioides) 		PF00563
(EAL) 		5 GLY A 522
LEU A 314
GLY A 504
MET A 476
HIS A 512
 None
 1.41A 1iolA-3s83A:
undetectable		 1iolA-3s83A:
24.92
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.
3uon HUMAN M2 MUSCARINIC
ACETYLCHOLINE,
RECEPTOR T4 LYSOZYME
FUSION PROTEIN

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 GLY A1028
LEU A1013
TYR A1018
PHE A1067
GLU A1005
 None
 1.42A 1iolA-3uonA:
undetectable		 1iolA-3uonA:
19.96
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.
3v2y SPHINGOSINE
1-PHOSPHATE RECEPTOR
1, LYSOZYME CHIMERA
(E.C.3.2.1.17)

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 GLY A1028
LEU A1013
TYR A1018
PHE A1067
GLU A1005
 None
 1.44A 1iolA-3v2yA:
undetectable		 1iolA-3v2yA:
20.95
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.
3vab DIAMINOPIMELATE
DECARBOXYLASE 1

(Brucella
melitensis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 VAL A 282
GLY A 283
TYR A 245
GLY A 278
GLU A 392
 None
None
None
LLP  A  61 ( 3.5A)
None
 1.34A 1iolA-3vabA:
2.2		 1iolA-3vabA:
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.
3wxx ACRH

(Aeromonas
hydrophila) 		no annotation 5 SER A  90
GLY A  75
GLY A  94
TYR A  38
PHE A 104
 None
 1.30A 1iolA-3wxxA:
undetectable		 1iolA-3wxxA:
20.13
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.
4aq4 SN-GLYCEROL-3-PHOSPH
ATE-BINDING
PERIPLASMIC PROTEIN
UGPB

(Escherichia
coli) 		PF13416
(SBP_bac_8) 		5 SER A 247
GLY A 249
LEU A  14
GLY A 284
HIS A   8
 G3P  A1415 (-2.5A)
None
GOL  A1416 (-4.6A)
G3P  A1415 (-3.4A)
None
 1.37A 1iolA-4aq4A:
undetectable		 1iolA-4aq4A:
22.25
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.
4bms ALCLOHOL
DEHYDROGENASE/SHORT-
CHAIN DEHYDROGENASE

(Ralstonia sp.
DSMZ 6428) 		PF13561
(adh_short_C2) 		5 SER A 137
VAL A 138
LEU A 144
TYR A 150
GLY A 181
 NAP  A1250 (-3.1A)
None
None
NAP  A1250 (-4.8A)
NAP  A1250 (-4.9A)
 0.42A 1iolA-4bmsA:
27.0		 1iolA-4bmsA:
28.27
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.
4cak INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 GLY A 184
LEU A 195
GLY A 187
TYR A 274
GLU A 268
 None
 1.38A 1iolA-4cakA:
undetectable		 1iolA-4cakA:
16.63
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.
4dn7 ABC TRANSPORTER,
ATP-BINDING PROTEIN

(Methanosarcina
mazei) 		PF01458
(UPF0051) 		5 VAL A 159
GLY A 129
TYR A 130
GLY A 190
MET A 206
 None
 1.33A 1iolA-4dn7A:
undetectable		 1iolA-4dn7A:
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.
4dy0 GLIA-DERIVED NEXIN

(Homo sapiens) 		PF00079
(Serpin) 		5 VAL A  69
GLY A  70
GLY A  65
HIS A  37
GLU A   9
 None
 1.32A 1iolA-4dy0A:
undetectable		 1iolA-4dy0A:
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 14

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M) 		5 SER N 240
VAL N 241
GLY N 267
GLY N 244
TYR N 288
 None
 1.34A 1iolA-4heaN:
undetectable		 1iolA-4heaN:
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.
4hjf GGDEF FAMILY PROTEIN

(Caulobacter
vibrioides) 		PF00563
(EAL) 		5 GLY A 522
LEU A 314
GLY A 504
MET A 476
HIS A 512
 None
None
C2E  A 603 (-3.4A)
None
None
 1.44A 1iolA-4hjfA:
undetectable		 1iolA-4hjfA:
24.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas sp.
C18) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 SER A 244
GLY A 164
LEU A 163
GLY A 249
TYR A 149
 None
 1.42A 1iolA-4hjlA:
undetectable		 1iolA-4hjlA:
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.
4m3c LECTIN BETA CHAIN

(Butea
monosperma) 		PF00139
(Lectin_legB) 		5 SER B 152
LEU B 108
GLY B 144
HIS B 226
GLU B 224
 MN  B 302 ( 4.2A)
None
None
None
None
 1.40A 1iolA-4m3cB:
undetectable		 1iolA-4m3cB:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m3c SEED LECTIN BETA
CHAIN

(Spatholobus
parviflorus) 		PF00139
(Lectin_legB) 		5 SER F 152
LEU F 108
GLY F 144
HIS F 226
GLU F 224
 MN  F 302 ( 4.2A)
None
None
None
None
 1.43A 1iolA-4m3cF:
undetectable		 1iolA-4m3cF:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mmo SSO-CP2
METALLO-CARBOXYPETID
ASE

(Sulfolobus
solfataricus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 SER A 406
GLY A 403
LEU A 167
TYR A 367
HIS A 426
 None
 1.38A 1iolA-4mmoA:
undetectable		 1iolA-4mmoA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nnb OBCA, OXALATE
BIOSYNTHETIC
COMPONENT A

(Burkholderia
glumae) 		PF05853
(BKACE) 		5 VAL A 314
GLY A 321
HIS A 224
PHE A 348
GLU A 473
 None
None
MG  A 601 ( 3.3A)
OAA  A 602 (-4.8A)
MG  A 601 ( 2.6A)
 1.36A 1iolA-4nnbA:
2.4		 1iolA-4nnbA:
22.55
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.
4oet PUTATIVE PEPTIDE
ABC-TRANSPORT SYSTEM
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Campylobacter
jejuni) 		PF00496
(SBP_bac_5) 		5 SER A  35
GLY A 161
TYR A 183
GLY A 136
HIS A 141
 None
 1.10A 1iolA-4oetA:
undetectable		 1iolA-4oetA:
21.32
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.
4oic BET V I
ALLERGEN-LIKE
PROBABLE PROTEIN
PHOSPHATASE 2C 6

(Oryza sativa) 		PF00481
(PP2C)
PF10604
(Polyketide_cyc2) 		5 SER A 100
VAL A  99
GLY B 208
MET B 350
PHE A  76
 None
None
None
None
A8S  A 301 (-4.8A)
 1.27A 1iolA-4oicA:
undetectable		 1iolA-4oicA:
23.68
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.
4oue PUTATIVE LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF00754
(F5_F8_type_C)
PF01120
(Alpha_L_fucos) 		5 GLY A 147
LEU A 146
TYR A 145
GLY A 102
GLU A 174
 None
None
GOL  A 501 (-4.5A)
None
None
 1.09A 1iolA-4oueA:
2.1		 1iolA-4oueA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]

(Rattus
norvegicus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 SER A 239
GLY A 234
TYR A 165
GLY A 237
HIS A 401
 None
None
None
SPV  A 704 (-3.6A)
None
 1.13A 1iolA-4ox2A:
undetectable		 1iolA-4ox2A:
21.42
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.
4pmz XYLANASE

(Xanthomonas
citri) 		PF00331
(Glyco_hydro_10) 		5 SER A  62
VAL A  63
GLY A  61
GLY A  58
TYR A 154
 None
 1.33A 1iolA-4pmzA:
2.1		 1iolA-4pmzA:
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.
4pn3 3-HYDROXYACYL-COA
DEHYDROGENASE

(Brucella
melitensis) 		PF00106
(adh_short) 		5 SER A 213
VAL A 214
GLY A 211
LEU A 220
GLU A 225
 None
 1.34A 1iolA-4pn3A:
25.5		 1iolA-4pn3A:
26.44
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.
4qmd ENVOPLAKIN

(Homo sapiens) 		PF00681
(Plectin) 		5 SER A1916
VAL A1917
GLY A1918
LEU A1935
GLY A1905
 None
 1.29A 1iolA-4qmdA:
undetectable		 1iolA-4qmdA:
21.08
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.
4r1p L-ARABINOSE
ISOMERASE

(Geobacillus
kaustophilus) 		PF02610
(Arabinose_Isome)
PF11762
(Arabinose_Iso_C) 		5 VAL A 294
GLY A 291
LEU A 289
PHE A 304
GLU A 307
 None
None
None
None
MN  A 501 (-2.7A)
 1.35A 1iolA-4r1pA:
5.1		 1iolA-4r1pA:
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.
4u36 SEED LECTIN

(Vatairea
macrocarpa) 		PF00139
(Lectin_legB) 		5 SER A 147
LEU A 107
GLY A 139
HIS A 221
GLU A 219
 MN  A 301 ( 4.2A)
None
None
None
None
 1.45A 1iolA-4u36A:
undetectable		 1iolA-4u36A:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yac C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		5 SER A 144
LEU A 151
GLY A 188
PHE A 255
GLU A 215
 None
 1.28A 1iolA-4yacA:
27.8		 1iolA-4yacA:
27.84
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.
4yac C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		5 SER A 144
TYR A 157
GLY A 188
PHE A 255
GLU A 215
 None
 0.82A 1iolA-4yacA:
27.8		 1iolA-4yacA:
27.84
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.
4zk6 QUINOLINATE SYNTHASE
A

(Pyrococcus
horikoshii) 		PF02445
(NadA) 		5 VAL A  58
GLY A  57
GLY A 258
HIS A 173
GLU A 198
 None
None
None
NTM  A 402 (-4.6A)
NTM  A 402 (-3.2A)
 1.24A 1iolA-4zk6A:
undetectable		 1iolA-4zk6A:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zmh UNCHARACTERIZED
PROTEIN

(Saccharophagus
degradans) 		PF15979
(Glyco_hydro_115) 		5 SER A 108
VAL A 109
GLY A 110
TYR A  68
GLY A 156
 None
 1.42A 1iolA-4zmhA:
undetectable		 1iolA-4zmhA:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a60 INORGANIC
TRIPHOSPHATASE

(Escherichia
coli) 		PF01928
(CYTH) 		5 VAL A 221
TYR A 385
GLY A 224
HIS A 349
PHE A 268
 None
None
None
EDO  A2002 (-4.2A)
None
 1.43A 1iolA-5a60A:
undetectable		 1iolA-5a60A:
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.
5dz7 POLYKETIDE
BIOSYNTHESIS PROTEIN
PKSE

(Bacillus
subtilis) 		PF00698
(Acyl_transf_1) 		5 GLY A  17
LEU A  20
GLY A 267
TYR A  24
GLU A  75
 None
 1.24A 1iolA-5dz7A:
undetectable		 1iolA-5dz7A:
24.23
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.
5ha5 BRUCELLA OVIS
OXIDOREDUCTASE

(Brucella ovis) 		PF13561
(adh_short_C2) 		5 SER A 150
VAL A 151
TYR A 163
GLY A 194
PHE A 214
 None
None
EDO  A 504 (-3.6A)
None
None
 1.32A 1iolA-5ha5A:
25.8		 1iolA-5ha5A:
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.
5ikz OXALATE BIOSYNTHETIC
COMPONENT 1

(Burkholderia
thailandensis) 		PF05853
(BKACE) 		5 VAL A 318
GLY A 325
HIS A 227
PHE A 352
GLU A 477
 None
None
MG  A1201 (-4.1A)
None
MG  A1201 (-2.8A)
 1.35A 1iolA-5ikzA:
undetectable		 1iolA-5ikzA:
14.88
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.
5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE

(Bacillus
subtilis) 		PF13561
(adh_short_C2) 		5 SER A 141
VAL A 142
GLY A 143
TYR A 154
GLY A 185
 None
 0.59A 1iolA-5itwA:
27.5		 1iolA-5itwA:
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.
5kxb WISTERIA FLORIBUNDA
AGGLUTININ

(Wisteria
floribunda) 		PF00139
(Lectin_legB) 		5 SER A 179
LEU A 137
GLY A 171
HIS A 253
GLU A 251
 MN  A 309 ( 4.1A)
None
None
None
None
 1.40A 1iolA-5kxbA:
undetectable		 1iolA-5kxbA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u7x NOD FACTOR BINDING
LECTIN-NUCLEOTIDE
PHOSPHOHYDROLASE

(Vigna
unguiculata) 		PF01150
(GDA1_CD39) 		5 SER F  15
GLY F 161
TYR F 240
GLY F  17
GLU F 307
 PO4  F 502 (-2.6A)
PO4  F 502 (-3.8A)
None
None
None
 1.31A 1iolA-5u7xF:
2.4		 1iolA-5u7xF:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u7z ACID CERAMIDASE

(Homo sapiens) 		no annotation 5 GLY B 209
LEU B 211
GLY B 206
TYR B 370
PHE A 133
 None
 1.26A 1iolA-5u7zB:
undetectable		 1iolA-5u7zB:
12.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w4x UDP-GLUCOSE
6-DEHYDROGENASE

(Homo sapiens) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 SER A 269
VAL A 270
GLY A 271
GLY A 441
PHE A 314
 None
 1.40A 1iolA-5w4xA:
6.1		 1iolA-5w4xA:
19.66
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.
5xxg -

(-) 		no annotation 5 VAL A 195
GLY A 196
TYR A 198
GLY A 194
GLU A  86
 None
 1.15A 1iolA-5xxgA:
undetectable		 1iolA-5xxgA:
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.
5y89 PUTATIVE HEMIN
TRANSPORT SYSTEM,
SUBSTRATE-BINDING
PROTEIN

(Burkholderia
cenocepacia) 		no annotation 5 GLY A 284
LEU A 283
GLY A  47
HIS A 192
GLU A 246
 HEM  A 401 ( 4.0A)
HEM  A 401 ( 4.3A)
HEM  A 401 (-4.5A)
HEM  A 401 ( 3.4A)
None
 1.43A 1iolA-5y89A:
2.7		 1iolA-5y89A:
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.
6fyd PUTATIVE
FAD-DEPENDENT
OXYGENASE ENCM

(Streptomyces
maritimus) 		no annotation 5 VAL A 145
GLY A 148
TYR A 416
GLY A 143
TYR A 432
 None
None
FAD  A 600 (-4.4A)
FAD  A 600 (-3.2A)
None
 1.26A 1iolA-6fydA:
undetectable		 1iolA-6fydA:
13.74