SIMILAR PATTERNS OF AMINO ACIDS FOR 1ICU_A_NIOA221

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.
1ded CYCLODEXTRIN
GLUCANOTRANSFERASE

(Bacillus sp.
1011) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 SER A  13
THR A  14
PHE A 425
GLY A 502
 None
 1.10A 1icuA-1dedA:
0.0
1icuB-1dedA:
0.0		 1icuA-1dedA:
16.14
1icuB-1dedA:
16.14
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.
1dml DNA POLYMERASE
PROCESSIVITY FACTOR

(Human
alphaherpesvirus
1) 		PF02282
(Herpes_UL42) 		4 SER A 211
THR A 220
GLU A 203
GLY A 205
 None
 0.96A 1icuA-1dmlA:
0.1
1icuB-1dmlA:
0.1		 1icuA-1dmlA:
21.23
1icuB-1dmlA:
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.
1f3j H-2 CLASS II
HISTOCOMPATIBILITY
ANTIGEN

(Mus musculus) 		PF00993
(MHC_II_alpha)
PF07654
(C1-set) 		4 THR A  41
PHE A  54
GLU A  55
GLY A  58
 None
 1.00A 1icuA-1f3jA:
0.0
1icuB-1f3jA:
0.0		 1icuA-1f3jA:
17.12
1icuB-1f3jA:
17.12
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.
1g33 PARVALBUMIN ALPHA

(Rattus
norvegicus) 		PF13499
(EF-hand_7) 		4 SER A 103
PHE A  47
GLU A 100
GLY A  98
 None
None
None
SO4  A 200 (-3.0A)
 1.15A 1icuA-1g33A:
undetectable
1icuB-1g33A:
undetectable		 1icuA-1g33A:
15.67
1icuB-1g33A:
15.67
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.
1gl9 REVERSE GYRASE

(Archaeoglobus
fulgidus) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		4 THR B 662
PHE B 658
PHE B 509
GLU B 668
 None
 1.08A 1icuA-1gl9B:
0.0
1icuB-1gl9B:
0.0		 1icuA-1gl9B:
13.06
1icuB-1gl9B:
13.06
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.
1gq1 CYTOCHROME CD1
NITRITE REDUCTASE

(Paracoccus
pantotrophus) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		4 SER A 112
THR A 111
GLU A 114
GLY A 101
 None
GOL  A 611 (-4.6A)
None
None
 1.14A 1icuA-1gq1A:
0.3
1icuB-1gq1A:
0.0		 1icuA-1gq1A:
18.88
1icuB-1gq1A:
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.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 SER A 280
THR A 281
PHE A 383
GLU A 336
 None
 0.99A 1icuA-1h17A:
0.0
1icuB-1h17A:
0.0		 1icuA-1h17A:
15.09
1icuB-1h17A:
15.09
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.
1i7q ANTHRANILATE
SYNTHASE

(Serratia
marcescens) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		4 SER A  69
THR A  62
GLU A 102
GLY A 100
 None
 1.17A 1icuA-1i7qA:
0.0
1icuB-1i7qA:
0.0		 1icuA-1i7qA:
18.34
1icuB-1i7qA:
18.34
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.
1l1f GLUTAMATE
DEHYDROGENASE 1

(Homo sapiens) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 SER A 174
THR A 175
PHE A 152
GLY A 132
 None
 1.04A 1icuA-1l1fA:
0.0
1icuB-1l1fA:
0.0		 1icuA-1l1fA:
19.29
1icuB-1l1fA:
19.29
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.
1nar NARBONIN

(Vicia
narbonensis) 		PF00704
(Glyco_hydro_18) 		4 THR A 227
PHE A 260
PHE A 242
GLY A 224
 None
 1.01A 1icuA-1narA:
0.0
1icuB-1narA:
0.0		 1icuA-1narA:
22.34
1icuB-1narA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p9w GENERAL SECRETION
PATHWAY PROTEIN E

(Vibrio cholerae) 		PF00437
(T2SSE) 		4 SER A 492
THR A 491
PHE A 414
GLU A 494
 None
 1.16A 1icuA-1p9wA:
undetectable
1icuB-1p9wA:
undetectable		 1icuA-1p9wA:
22.93
1icuB-1p9wA:
22.93
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.
1pgu ACTIN INTERACTING
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 SER A 171
PHE A 214
PHE A 187
GLY A 236
 None
 1.06A 1icuA-1pguA:
undetectable
1icuB-1pguA:
undetectable		 1icuA-1pguA:
17.89
1icuB-1pguA:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q1l CHORISMATE SYNTHASE

(Aquifex
aeolicus) 		PF01264
(Chorismate_synt) 		4 SER A 162
PHE A 228
GLU A 361
GLY A 360
 None
 1.08A 1icuA-1q1lA:
0.7
1icuB-1q1lA:
undetectable		 1icuA-1q1lA:
19.70
1icuB-1q1lA:
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.
1qhm PYRUVATE
FORMATE-LYASE

(Escherichia
coli) 		PF02901
(PFL-like) 		4 SER A1280
THR A1281
PHE A1383
GLU A1336
 None
 0.97A 1icuA-1qhmA:
undetectable
1icuB-1qhmA:
undetectable		 1icuA-1qhmA:
16.59
1icuB-1qhmA:
16.59
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.
1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT

(Pseudomonas
putida) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
PF12573
(OxoDH_E1alpha_N) 		4 SER A 171
THR A 179
GLU B 110
GLY B 109
 None
 1.09A 1icuA-1qs0A:
undetectable
1icuB-1qs0A:
undetectable		 1icuA-1qs0A:
19.42
1icuB-1qs0A:
19.42
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.
1r53 CHORISMATE SYNTHASE

(Saccharomyces
cerevisiae) 		PF01264
(Chorismate_synt) 		4 SER A 307
THR A 220
GLU A 256
GLY A 258
 None
 0.88A 1icuA-1r53A:
undetectable
1icuB-1r53A:
undetectable		 1icuA-1r53A:
21.73
1icuB-1r53A:
21.73
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.
1sp3 CYTOCHROME C,
PUTATIVE

(Shewanella
oneidensis) 		PF11783
(Cytochrome_cB)
PF13435
(Cytochrome_C554) 		4 SER A  16
THR A  94
PHE A  88
GLY A  82
 None
 1.10A 1icuA-1sp3A:
undetectable
1icuB-1sp3A:
undetectable		 1icuA-1sp3A:
19.38
1icuB-1sp3A:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 SER A 410
THR A 268
PHE A 408
GLY A 404
 None
None
None
ACE  A 633 (-3.1A)
 1.11A 1icuA-1tqyA:
undetectable
1icuB-1tqyA:
undetectable		 1icuA-1tqyA:
20.53
1icuB-1tqyA:
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.
1usv AHA1

(Saccharomyces
cerevisiae) 		PF09229
(Aha1_N) 		4 SER B  49
THR B  72
GLU B  51
GLY B  52
 None
 1.14A 1icuA-1usvB:
undetectable
1icuB-1usvB:
undetectable		 1icuA-1usvB:
18.83
1icuB-1usvB:
18.83
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.
1zyp ALKYL HYDROPEROXIDE
REDUCTASE SUBUNIT F

(Salmonella
enterica) 		PF13192
(Thioredoxin_3) 		4 SER A  89
THR A  88
GLU A  86
GLY A  84
 None
 1.08A 1icuA-1zypA:
undetectable
1icuB-1zypA:
undetectable		 1icuA-1zypA:
23.21
1icuB-1zypA:
23.21
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.
2boy 3-CHLOROCATECHOL
1,2-DIOXYGENASE

(Rhodococcus
opacus) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		4 PHE A 249
PHE A 105
GLU A 108
GLY A 107
 None
 0.99A 1icuA-2boyA:
undetectable
1icuB-2boyA:
undetectable		 1icuA-2boyA:
21.76
1icuB-2boyA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cp3 CLIP-115

(Homo sapiens) 		PF01302
(CAP_GLY) 		4 THR A  30
PHE A  68
PHE A  59
GLY A  39
 None
 1.13A 1icuA-2cp3A:
undetectable
1icuB-2cp3A:
undetectable		 1icuA-2cp3A:
17.06
1icuB-2cp3A:
17.06
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.
2cp7 RESTIN

(Mus musculus) 		PF01302
(CAP_GLY) 		4 THR A  30
PHE A  68
PHE A  59
GLY A  39
 None
 1.12A 1icuA-2cp7A:
undetectable
1icuB-2cp7A:
undetectable		 1icuA-2cp7A:
18.84
1icuB-2cp7A:
18.84
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.
2day RING FINGER PROTEIN
25

(Homo sapiens) 		PF05773
(RWD) 		4 SER A 123
PHE A  61
GLU A 120
GLY A 118
 None
 1.14A 1icuA-2dayA:
undetectable
1icuB-2dayA:
undetectable		 1icuA-2dayA:
22.17
1icuB-2dayA:
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.
2e3x COAGULATION FACTOR
X-ACTIVATING ENZYME
LIGHT CHAIN 1
COAGULATION FACTOR
X-ACTIVATING ENZYME
LIGHT CHAIN 2

(Daboia
siamensis) 		PF00059
(Lectin_C) 		4 SER C 110
PHE B  99
GLU B  98
GLY B  95
 None
 1.09A 1icuA-2e3xC:
undetectable
1icuB-2e3xC:
undetectable		 1icuA-2e3xC:
22.39
1icuB-2e3xC:
22.39
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.
2f57 SERINE/THREONINE-PRO
TEIN KINASE PAK 7

(Homo sapiens) 		PF00069
(Pkinase) 		4 SER A 571
THR A 532
GLU A 635
GLY A 639
 None
 0.89A 1icuA-2f57A:
undetectable
1icuB-2f57A:
undetectable		 1icuA-2f57A:
23.58
1icuB-2f57A:
23.58
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.
2fw2 TESTIS-SPECIFIC
CHROMODOMAIN PROTEIN
Y 2

(Homo sapiens) 		PF00378
(ECH_1) 		4 SER A  23
THR A  24
PHE A  70
GLU A  32
 None
 0.82A 1icuA-2fw2A:
undetectable
1icuB-2fw2A:
undetectable		 1icuA-2fw2A:
22.26
1icuB-2fw2A:
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.
2gzx PUTATIVE TATD
RELATED DNASE

(Staphylococcus
aureus) 		PF01026
(TatD_DNase) 		4 SER A 154
PHE A 181
GLU A 202
GLY A 177
 None
 1.17A 1icuA-2gzxA:
undetectable
1icuB-2gzxA:
undetectable		 1icuA-2gzxA:
22.46
1icuB-2gzxA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h63 BILIVERDIN REDUCTASE
A

(Homo sapiens) 		PF01408
(GFO_IDH_MocA)
PF09166
(Biliv-reduc_cat) 		4 SER A 211
THR A 207
PHE A 180
GLY A 148
 None
 1.13A 1icuA-2h63A:
undetectable
1icuB-2h63A:
undetectable		 1icuA-2h63A:
22.22
1icuB-2h63A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pbe AMINOGLYCOSIDE
6-ADENYLYLTRANSFERAS
E

(Bacillus
subtilis) 		PF04439
(Adenyl_transf) 		4 SER A  89
THR A 103
GLU A  75
GLY A  85
 None
 0.92A 1icuA-2pbeA:
undetectable
1icuB-2pbeA:
undetectable		 1icuA-2pbeA:
19.87
1icuB-2pbeA:
19.87
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.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		4 SER A  69
THR A  70
PHE A  67
GLY A 313
 None
 1.15A 1icuA-2qt3A:
undetectable
1icuB-2qt3A:
undetectable		 1icuA-2qt3A:
20.70
1icuB-2qt3A:
20.70
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.
2v8j PECTATE LYASE

(Yersinia
enterocolitica) 		PF06917
(Pectate_lyase_2) 		4 THR A 514
PHE A 111
PHE A  49
GLY A 121
 None
 0.97A 1icuA-2v8jA:
undetectable
1icuB-2v8jA:
undetectable		 1icuA-2v8jA:
17.76
1icuB-2v8jA:
17.76
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.
2wk8 CAI-1 AUTOINDUCER
SYNTHASE

(Vibrio cholerae) 		PF00155
(Aminotran_1_2) 		4 THR A 279
PHE A 238
PHE A  96
GLY A 208
 None
 0.98A 1icuA-2wk8A:
undetectable
1icuB-2wk8A:
undetectable		 1icuA-2wk8A:
22.86
1icuB-2wk8A:
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.
2xrd COMPLEMENT
REGULATORY PROTEIN
CRRY

(Rattus
norvegicus) 		PF00084
(Sushi) 		4 SER A 207
THR A 187
GLU A 205
GLY A 204
 None
 1.07A 1icuA-2xrdA:
undetectable
1icuB-2xrdA:
undetectable		 1icuA-2xrdA:
19.00
1icuB-2xrdA:
19.00
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.
2yg6 PUTRESCINE OXIDASE

(Rhodococcus
erythropolis) 		PF01593
(Amino_oxidase) 		4 THR A  66
PHE A 204
GLU A 428
GLY A 194
 None
 0.75A 1icuA-2yg6A:
undetectable
1icuB-2yg6A:
undetectable		 1icuA-2yg6A:
19.38
1icuB-2yg6A:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ynk WZI

(Escherichia
coli) 		PF14052
(Caps_assemb_Wzi) 		4 SER A  51
THR A  52
GLU A 250
GLY A 252
 None
 0.99A 1icuA-2ynkA:
undetectable
1icuB-2ynkA:
undetectable		 1icuA-2ynkA:
18.94
1icuB-2ynkA:
18.94
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.
2ynp COATOMER SUBUNIT
BETA'

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF04053
(Coatomer_WDAD) 		4 SER A 154
THR A 155
PHE A 136
GLY A 171
 None
 1.12A 1icuA-2ynpA:
undetectable
1icuB-2ynpA:
undetectable		 1icuA-2ynpA:
17.00
1icuB-2ynpA:
17.00
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.
3b1e BETAC-S LYASE

(Streptococcus
anginosus) 		PF00155
(Aminotran_1_2) 		4 PHE A 215
PHE A 225
GLU A 183
GLY A 186
 None
 1.13A 1icuA-3b1eA:
undetectable
1icuB-3b1eA:
undetectable		 1icuA-3b1eA:
20.10
1icuB-3b1eA:
20.10
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.
3b2d CD180 ANTIGEN

(Homo sapiens) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		4 SER A  61
THR A  85
PHE A  81
GLU A  40
 None
 1.09A 1icuA-3b2dA:
undetectable
1icuB-3b2dA:
undetectable		 1icuA-3b2dA:
17.54
1icuB-3b2dA:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bry TBUX

(Ralstonia
pickettii) 		PF03349
(Toluene_X) 		4 SER A 399
THR A 381
GLU A   7
GLY A   8
 None
 0.91A 1icuA-3bryA:
undetectable
1icuB-3bryA:
undetectable		 1icuA-3bryA:
20.00
1icuB-3bryA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3elz ILEAL BILE
ACID-BINDING PROTEIN

(Danio rerio) 		PF14651
(Lipocalin_7) 		4 SER A  84
PHE A   2
GLU A  86
GLY A  88
 None
 1.08A 1icuA-3elzA:
undetectable
1icuB-3elzA:
undetectable		 1icuA-3elzA:
20.44
1icuB-3elzA:
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.
3evn OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Streptococcus
agalactiae) 		PF01408
(GFO_IDH_MocA) 		4 THR A 164
PHE A 178
GLU A 168
GLY A 173
 None
 0.95A 1icuA-3evnA:
undetectable
1icuB-3evnA:
undetectable		 1icuA-3evnA:
21.02
1icuB-3evnA:
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.
3fv5 DNA TOPOISOMERASE 4
SUBUNIT B

(Escherichia
coli) 		PF02518
(HATPase_c) 		4 PHE A 167
PHE A 179
GLU A  38
GLY A  36
 None
 0.89A 1icuA-3fv5A:
undetectable
1icuB-3fv5A:
undetectable		 1icuA-3fv5A:
20.09
1icuB-3fv5A:
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.
3gri DIHYDROOROTASE

(Staphylococcus
aureus) 		PF01979
(Amidohydro_1) 		4 SER A 158
THR A 156
GLU A 162
GLY A 163
 None
 0.98A 1icuA-3griA:
undetectable
1icuB-3griA:
undetectable		 1icuA-3griA:
20.71
1icuB-3griA:
20.71
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Schizosaccharomyces
pombe) 		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) 		4 SER A 799
PHE A 793
PHE A 821
GLU A 801
 None
 1.06A 1icuA-3h0gA:
undetectable
1icuB-3h0gA:
undetectable		 1icuA-3h0gA:
9.61
1icuB-3h0gA:
9.61
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.
3h5l PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Ruegeria
pomeroyi) 		PF13458
(Peripla_BP_6) 		4 SER A 328
PHE A 316
GLU A  61
GLY A 333
 None
 1.06A 1icuA-3h5lA:
undetectable
1icuB-3h5lA:
undetectable		 1icuA-3h5lA:
20.00
1icuB-3h5lA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hea ARYLESTERASE

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		4 THR A 179
PHE A 162
PHE A  93
GLY A 252
 GOL  A 274 (-4.1A)
None
EEE  A 300 (-4.5A)
None
 1.11A 1icuA-3heaA:
undetectable
1icuB-3heaA:
undetectable		 1icuA-3heaA:
21.75
1icuB-3heaA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hj4 MINOR
EDITOSOME-ASSOCIATED
TUTASE

(Trypanosoma
brucei) 		no annotation 4 SER A 266
PHE A 336
PHE A 183
GLU A 334
 None
 1.04A 1icuA-3hj4A:
undetectable
1icuB-3hj4A:
undetectable		 1icuA-3hj4A:
19.01
1icuB-3hj4A:
19.01
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.
3ial PROLYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 SER A 247
PHE A 241
PHE A 272
GLY A 243
 GOL  A 602 ( 4.3A)
PR8  A 601 ( 4.1A)
None
None
 1.15A 1icuA-3ialA:
1.8
1icuB-3ialA:
1.8		 1icuA-3ialA:
17.53
1icuB-3ialA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kn3 PUTATIVE PERIPLASMIC
PROTEIN

(Wolinella
succinogenes) 		PF12849
(PBP_like_2) 		4 SER A  11
THR A  12
PHE A  83
GLY A 122
 GOL  A 262 ( 4.1A)
None
None
GOL  A 262 (-4.1A)
 0.96A 1icuA-3kn3A:
undetectable
1icuB-3kn3A:
undetectable		 1icuA-3kn3A:
21.45
1icuB-3kn3A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kzw CYTOSOL
AMINOPEPTIDASE

(Staphylococcus
aureus) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		4 THR A 135
PHE A  95
GLU A 132
GLY A 128
 None
 1.11A 1icuA-3kzwA:
undetectable
1icuB-3kzwA:
undetectable		 1icuA-3kzwA:
18.66
1icuB-3kzwA:
18.66
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.
3m4x NOL1/NOP2/SUN FAMILY
PROTEIN

(Enterococcus
faecium) 		PF01189
(Methyltr_RsmB-F)
PF13636
(Methyltranf_PUA)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI) 		4 SER A 205
THR A 202
PHE A 191
GLY A 187
 None
 1.05A 1icuA-3m4xA:
undetectable
1icuB-3m4xA:
undetectable		 1icuA-3m4xA:
19.49
1icuB-3m4xA:
19.49
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.
3mtv PAPAIN-LIKE CYSTEINE
PROTEASE

(Porcine
reproductive
and respiratory
syndrome virus) 		PF05411
(Peptidase_C32) 		4 THR A  84
PHE A  60
PHE A 150
GLY A 170
 None
 0.92A 1icuA-3mtvA:
undetectable
1icuB-3mtvA:
undetectable		 1icuA-3mtvA:
20.89
1icuB-3mtvA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oth CALG1

(Micromonospora
echinospora) 		PF00201
(UDPGT)
PF03033
(Glyco_transf_28) 		4 SER A 119
PHE A 178
GLU A 117
GLY A 138
 CLJ  A 394 (-3.6A)
None
None
None
 1.09A 1icuA-3othA:
undetectable
1icuB-3othA:
undetectable		 1icuA-3othA:
20.58
1icuB-3othA:
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.
3p54 ENVELOPE
GLYCOPROTEIN

(Japanese
encephalitis
virus) 		PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C) 		4 THR A 226
PHE A 218
GLU A  55
GLY A 127
 None
 0.89A 1icuA-3p54A:
undetectable
1icuB-3p54A:
undetectable		 1icuA-3p54A:
20.40
1icuB-3p54A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pdu 3-HYDROXYISOBUTYRATE
DEHYDROGENASE FAMILY
PROTEIN

(Geobacter
sulfurreducens) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 SER A 102
THR A 103
GLU A 118
GLY A 139
 None
 0.77A 1icuA-3pduA:
undetectable
1icuB-3pduA:
undetectable		 1icuA-3pduA:
21.20
1icuB-3pduA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r2u METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		4 SER A 123
THR A 120
PHE A 148
GLY A 144
 None
 1.12A 1icuA-3r2uA:
undetectable
1icuB-3r2uA:
undetectable		 1icuA-3r2uA:
19.74
1icuB-3r2uA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rg1 CD180 MOLECULE

(Bos taurus) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		4 SER A  61
THR A  85
PHE A  81
GLU A  40
 None
 1.07A 1icuA-3rg1A:
undetectable
1icuB-3rg1A:
undetectable		 1icuA-3rg1A:
14.82
1icuB-3rg1A:
14.82
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.
3shp PUTATIVE
ACETYLTRANSFERASE
STHE_0691

(Sphaerobacter
thermophilus) 		no annotation 4 SER A  83
THR A 120
GLU A  76
GLY A  78
 None
 0.92A 1icuA-3shpA:
undetectable
1icuB-3shpA:
undetectable		 1icuA-3shpA:
23.53
1icuB-3shpA:
23.53
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.
3ty1 HYPOTHETICAL ALDOSE
1-EPIMERASE

(Klebsiella
pneumoniae) 		PF14486
(DUF4432) 		4 SER A 338
THR A 337
GLU A 346
GLY A 141
 None
 1.11A 1icuA-3ty1A:
undetectable
1icuB-3ty1A:
undetectable		 1icuA-3ty1A:
18.49
1icuB-3ty1A:
18.49
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		4 SER A 634
THR A 635
PHE A  88
GLY A 245
 None
 1.16A 1icuA-4a01A:
undetectable
1icuB-4a01A:
undetectable		 1icuA-4a01A:
14.99
1icuB-4a01A:
14.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bxo FANCONI ANEMIA GROUP
M PROTEIN

(Homo sapiens) 		PF02732
(ERCC4) 		4 SER A1829
THR A1828
GLU A1826
GLY A1823
 None
None
CA  A2050 ( 4.8A)
None
 1.07A 1icuA-4bxoA:
undetectable
1icuB-4bxoA:
undetectable		 1icuA-4bxoA:
19.48
1icuB-4bxoA:
19.48
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.
4di5 5-EPI-ARISTOLOCHENE
SYNTHASE

(Nicotiana
tabacum) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 THR A 473
PHE A 480
GLU A 463
GLY A 461
 None
 1.07A 1icuA-4di5A:
undetectable
1icuB-4di5A:
undetectable		 1icuA-4di5A:
17.51
1icuB-4di5A:
17.51
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.
4fie SERINE/THREONINE-PRO
TEIN KINASE PAK 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00786
(PBD) 		4 SER A 443
THR A 404
GLU A 507
GLY A 511
 None
 0.99A 1icuA-4fieA:
undetectable
1icuB-4fieA:
undetectable		 1icuA-4fieA:
19.67
1icuB-4fieA:
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.
4isb LONG CHAIN FATTY
ACID COA LIGASE
FADD10

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 SER A  40
THR A  39
GLU A  78
GLY A  76
 None
 0.76A 1icuA-4isbA:
undetectable
1icuB-4isbA:
undetectable		 1icuA-4isbA:
18.55
1icuB-4isbA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k11 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 SER A 443
PHE A 439
PHE A 424
GLU A 432
 None
 1.01A 1icuA-4k11A:
undetectable
1icuB-4k11A:
undetectable		 1icuA-4k11A:
20.85
1icuB-4k11A:
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.
4kqk NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Salmonella
enterica) 		PF02277
(DBI_PRT) 		4 SER A 193
THR A 191
PHE A 265
GLU A 197
 None
 1.06A 1icuA-4kqkA:
undetectable
1icuB-4kqkA:
undetectable		 1icuA-4kqkA:
22.84
1icuB-4kqkA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6

(Homo sapiens) 		PF00069
(Pkinase) 		4 SER A 529
THR A 490
GLU A 593
GLY A 597
 None
 0.93A 1icuA-4ks8A:
undetectable
1icuB-4ks8A:
undetectable		 1icuA-4ks8A:
25.00
1icuB-4ks8A:
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.
4my5 PUTATIVE AMINO ACID
AMINOTRANSFERASE

(Streptococcus
mutans) 		PF00155
(Aminotran_1_2) 		4 SER A 335
PHE A 324
GLU A 361
GLY A 360
 None
 0.91A 1icuA-4my5A:
undetectable
1icuB-4my5A:
undetectable		 1icuA-4my5A:
21.91
1icuB-4my5A:
21.91
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.
4mzq BETA-ALANYL-COA:AMMO
NIA LYASE

(Anaerotignum
propionicum) 		no annotation 4 SER A  49
PHE A  51
PHE A  87
GLY A  34
 None
 0.99A 1icuA-4mzqA:
undetectable
1icuB-4mzqA:
undetectable		 1icuA-4mzqA:
20.74
1icuB-4mzqA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ncn EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5B-LIKE PROTEIN

(Chaetomium
thermophilum) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		4 SER A 667
PHE A 700
GLU A 721
GLY A 722
 None
 1.14A 1icuA-4ncnA:
undetectable
1icuB-4ncnA:
undetectable		 1icuA-4ncnA:
20.00
1icuB-4ncnA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o6r ALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		4 SER A 180
THR A 181
PHE A 109
GLU A  86
 None
 1.15A 1icuA-4o6rA:
undetectable
1icuB-4o6rA:
undetectable		 1icuA-4o6rA:
19.55
1icuB-4o6rA:
19.55
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.
4p7h MYOSIN-7,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Homo sapiens) 		PF00063
(Myosin_head)
PF01353
(GFP)
PF02736
(Myosin_N) 		4 SER A  53
THR A  60
GLU A  55
GLY A  56
 None
 1.09A 1icuA-4p7hA:
undetectable
1icuB-4p7hA:
undetectable		 1icuA-4p7hA:
12.73
1icuB-4p7hA:
12.73
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.
4pxq D-GLUCURONYL C5
EPIMERASE B

(Danio rerio) 		PF06662
(C5-epim_C) 		4 THR A 293
PHE A 241
GLU A 245
GLY A 355
 None
 1.16A 1icuA-4pxqA:
undetectable
1icuB-4pxqA:
undetectable		 1icuA-4pxqA:
15.90
1icuB-4pxqA:
15.90
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.
4qaw XYN30D

(Paenibacillus
barcinonensis) 		PF03422
(CBM_6)
PF17189
(Glyco_hydro_30C) 		4 SER A 530
THR A 454
GLU A 534
GLY A 533
 None
 1.03A 1icuA-4qawA:
undetectable
1icuB-4qawA:
undetectable		 1icuA-4qawA:
17.29
1icuB-4qawA:
17.29
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.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 4 SER B 215
THR B 216
GLU A 104
GLY B  64
 None
 1.15A 1icuA-4r1dB:
undetectable
1icuB-4r1dB:
undetectable		 1icuA-4r1dB:
21.19
1icuB-4r1dB:
21.19
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.
4ruh CYTOSOLIC
NON-SPECIFIC
DIPEPTIDASE

(Homo sapiens) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 SER A 359
PHE A 216
GLU A 355
GLY A 354
 None
 1.15A 1icuA-4ruhA:
2.2
1icuB-4ruhA:
undetectable		 1icuA-4ruhA:
18.70
1icuB-4ruhA:
18.70
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.
4uw2 CSM1

(Thermococcus
onnurineus) 		PF01966
(HD) 		4 THR A 435
PHE A 451
GLU A 445
GLY A 446
 None
 1.00A 1icuA-4uw2A:
1.6
1icuB-4uw2A:
1.2		 1icuA-4uw2A:
14.95
1icuB-4uw2A:
14.95
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.
4xbr PROTEIN
FAM212A,SERINE/THREO
NINE-PROTEIN KINASE
PAK 4

(Homo sapiens) 		PF00069
(Pkinase)
PF15342
(FAM212) 		4 SER A 443
THR A 404
GLU A 507
GLY A 511
 None
 0.93A 1icuA-4xbrA:
undetectable
1icuB-4xbrA:
undetectable		 1icuA-4xbrA:
21.35
1icuB-4xbrA:
21.35
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.
4xvg ALKYL HYDROPEROXIDE
REDUCTASE SUBUNIT F

(Escherichia
coli) 		PF07992
(Pyr_redox_2)
PF13192
(Thioredoxin_3) 		4 SER A  89
THR A  88
GLU A  86
GLY A  84
 None
 1.08A 1icuA-4xvgA:
undetectable
1icuB-4xvgA:
undetectable		 1icuA-4xvgA:
17.40
1icuB-4xvgA:
17.40
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.
4yhw U4/U6 SMALL NUCLEAR
RIBONUCLEOPROTEIN
PRP3

(Saccharomyces
cerevisiae) 		PF06544
(DUF1115) 		4 SER A 460
PHE A 458
PHE A 441
GLY A 367
 None
None
U  E  87 ( 3.3A)
None
 1.16A 1icuA-4yhwA:
undetectable
1icuB-4yhwA:
undetectable		 1icuA-4yhwA:
18.30
1icuB-4yhwA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aoc ESTERASE

(Thermogutta
terrifontis) 		PF07859
(Abhydrolase_3) 		4 THR A 264
PHE A 251
PHE A  63
GLY A 125
 None
 1.11A 1icuA-5aocA:
undetectable
1icuB-5aocA:
undetectable		 1icuA-5aocA:
21.77
1icuB-5aocA:
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.
5az4 FLAGELLAR HOOK
SUBUNIT PROTEIN

(Campylobacter
jejuni) 		PF07196
(Flagellin_IN)
PF07559
(FlaE) 		4 SER A 409
THR A 412
GLU A 375
GLY A 374
 None
 1.01A 1icuA-5az4A:
undetectable
1icuB-5az4A:
undetectable		 1icuA-5az4A:
14.52
1icuB-5az4A:
14.52
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.
5e5b FACT COMPLEX SUBUNIT
SPT16

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		4 THR A 272
PHE A 402
PHE A 257
GLY A 404
 None
 1.07A 1icuA-5e5bA:
undetectable
1icuB-5e5bA:
undetectable		 1icuA-5e5bA:
20.75
1icuB-5e5bA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e6s INTEGRIN ALPHA-L

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 SER A 270
THR A 267
GLU A 241
GLY A 240
 None
None
None
MG  A2001 ( 4.4A)
 1.16A 1icuA-5e6sA:
undetectable
1icuB-5e6sA:
undetectable		 1icuA-5e6sA:
14.39
1icuB-5e6sA:
14.39
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.
5ee4 HPUA

(Kingella
denitrificans) 		PF16960
(HpuA) 		4 THR A 287
PHE A  42
PHE A 265
GLY A 263
 None
 1.11A 1icuA-5ee4A:
undetectable
1icuB-5ee4A:
undetectable		 1icuA-5ee4A:
22.29
1icuB-5ee4A:
22.29
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.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 SER B 590
THR B 565
GLU B 649
GLY B 651
 None
 0.96A 1icuA-5fq6B:
undetectable
1icuB-5fq6B:
undetectable		 1icuA-5fq6B:
11.71
1icuB-5fq6B:
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.
5i5h INNER MEMBRANE
PROTEIN YEJM

(Escherichia
coli) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		4 SER A 456
PHE A 462
GLU A 458
GLY A 560
 None
 0.98A 1icuA-5i5hA:
undetectable
1icuB-5i5hA:
undetectable		 1icuA-5i5hA:
16.32
1icuB-5i5hA:
16.32
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.
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 SER A 392
THR A 353
GLU A 456
GLY A 460
 None
 1.02A 1icuA-5kbrA:
undetectable
1icuB-5kbrA:
undetectable		 1icuA-5kbrA:
23.39
1icuB-5kbrA:
23.39
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.
5ldt MOMP PORIN

(Campylobacter
jejuni) 		PF05538
(Campylo_MOMP) 		4 SER A 378
THR A 396
PHE A  29
GLU A 358
 None
 0.92A 1icuA-5ldtA:
undetectable
1icuB-5ldtA:
undetectable		 1icuA-5ldtA:
21.23
1icuB-5ldtA:
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.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 SER A2136
PHE A2171
GLU A2134
GLY A2133
 None
 1.07A 1icuA-5m59A:
undetectable
1icuB-5m59A:
undetectable		 1icuA-5m59A:
8.86
1icuB-5m59A:
8.86
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.
5mhf MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Mus musculus) 		no annotation 4 PHE A 440
PHE A 402
GLU A 484
GLY A 444
 None
None
6A9  A 903 ( 3.9A)
None
 1.13A 1icuA-5mhfA:
undetectable
1icuB-5mhfA:
undetectable		 1icuA-5mhfA:
16.43
1icuB-5mhfA:
16.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 4 SER A 561
THR A 559
PHE A 551
GLY A 523
 None
 1.16A 1icuA-5no8A:
undetectable
1icuB-5no8A:
undetectable		 1icuA-5no8A:
16.22
1icuB-5no8A:
16.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vef SERINE/THREONINE-PRO
TEIN KINASE PAK 4

(Homo sapiens) 		no annotation 4 SER A 443
THR A 404
GLU A 507
GLY A 511
 ACT  A 602 (-3.4A)
ACT  A 602 (-3.3A)
ACT  A 602 (-3.9A)
None
 0.92A 1icuA-5vefA:
undetectable
1icuB-5vefA:
undetectable		 1icuA-5vefA:
21.98
1icuB-5vefA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ywp JEV E PROTEIN

(Japanese
encephalitis
virus) 		no annotation 4 THR A 226
PHE A 218
GLU A  55
GLY A 127
 None
 1.16A 1icuA-5ywpA:
undetectable
1icuB-5ywpA:
undetectable		 1icuA-5ywpA:
18.81
1icuB-5ywpA:
18.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z2g L-AMINO ACID OXIDASE

(Naja atra) 		no annotation 4 SER A 381
THR A 380
PHE A 379
GLY A 384
 None
 1.13A 1icuA-5z2gA:
undetectable
1icuB-5z2gA:
undetectable		 1icuA-5z2gA:
20.69
1icuB-5z2gA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c4g ASPARTIC PROTEASE
PM5

(Plasmodium
vivax) 		no annotation 4 SER A 155
THR A 165
GLU A  72
GLY A  69
 None
 1.07A 1icuA-6c4gA:
undetectable
1icuB-6c4gA:
undetectable		 1icuA-6c4gA:
16.29
1icuB-6c4gA:
16.29
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.
6cpl HLA CLASS II
HISTOCOMPATIBILITY
ANTIGEN, DR ALPHA
CHAIN

(Homo sapiens) 		no annotation 4 THR A  41
PHE A  54
GLU A  55
GLY A  58
 SO4  A 304 ( 4.1A)
NA  C 401 ( 3.4A)
None
None
 0.93A 1icuA-6cplA:
undetectable
1icuB-6cplA:
undetectable		 1icuA-6cplA:
18.48
1icuB-6cplA:
18.48
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.
6ey4 GLDM

(Flavobacterium
johnsoniae) 		no annotation 4 SER A 270
THR A 301
PHE A 313
GLY A 273
 None
 1.07A 1icuA-6ey4A:
undetectable
1icuB-6ey4A:
undetectable		 1icuA-6ey4A:
19.10
1icuB-6ey4A:
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.
6fk6 RHODOPSIN

(Bos taurus) 		no annotation 4 SER A 186
THR A  94
GLU A 181
GLY A 182
 BOG  A 409 (-2.4A)
BOG  A 409 ( 4.1A)
BOG  A 407 ( 3.0A)
BOG  A 409 ( 3.7A)
 1.17A 1icuA-6fk6A:
undetectable
1icuB-6fk6A:
undetectable		 1icuA-6fk6A:
15.21
1icuB-6fk6A:
15.21