SIMILAR PATTERNS OF AMINO ACIDS FOR 1ICU_B_NIOB219

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.
1clw TAILSPIKE PROTEIN

(Salmonella
virus P22) 		PF09251
(PhageP22-tail) 		4 PHE A 336
GLY A 348
SER A 384
PHE A 381
 None
 1.14A 1icuA-1clwA:
0.0
1icuB-1clwA:
0.0		 1icuA-1clwA:
18.05
1icuB-1clwA:
18.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ded CYCLODEXTRIN
GLUCANOTRANSFERASE

(Bacillus sp.
1011) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 PHE A 425
GLY A 502
SER A  13
THR A  14
 None
 1.09A 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 GLU A 203
GLY A 205
SER A 211
THR A 220
 None
 0.97A 1icuA-1dmlA:
0.0
1icuB-1dmlA:
0.0		 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 GLU A  55
GLY A  58
THR A  41
PHE A  54
 None
 1.08A 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.
1gq1 CYTOCHROME CD1
NITRITE REDUCTASE

(Paracoccus
pantotrophus) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		4 GLU A 114
GLY A 101
SER A 112
THR A 111
 None
None
None
GOL  A 611 (-4.6A)
 1.13A 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 PHE A 383
GLU A 336
SER A 280
THR A 281
 None
 0.96A 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.
1l1f GLUTAMATE
DEHYDROGENASE 1

(Homo sapiens) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 PHE A 152
GLY A 132
SER A 174
THR A 175
 None
 1.07A 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 PHE A 242
GLY A 224
THR A 227
PHE A 260
 None
 0.98A 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.
1nfg D-HYDANTOINASE

(Ralstonia
pickettii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 PHE A 449
GLY A 120
SER A 146
THR A 145
 None
 1.06A 1icuA-1nfgA:
0.0
1icuB-1nfgA:
0.0		 1icuA-1nfgA:
20.86
1icuB-1nfgA:
20.86
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.
1p9w GENERAL SECRETION
PATHWAY PROTEIN E

(Vibrio cholerae) 		PF00437
(T2SSE) 		4 PHE A 414
GLU A 494
SER A 492
THR A 491
 None
 1.15A 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 PHE A 187
GLY A 236
SER A 171
PHE A 214
 None
 1.03A 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 GLU A 361
GLY A 360
SER A 162
PHE A 228
 None
 1.06A 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 PHE A1383
GLU A1336
SER A1280
THR A1281
 None
 0.93A 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 GLU B 110
GLY B 109
SER A 171
THR A 179
 None
 1.10A 1icuA-1qs0B:
undetectable
1icuB-1qs0B:
undetectable		 1icuA-1qs0B:
21.70
1icuB-1qs0B:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r53 CHORISMATE SYNTHASE

(Saccharomyces
cerevisiae) 		PF01264
(Chorismate_synt) 		4 GLU A 256
GLY A 258
SER A 307
THR A 220
 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 PHE A  88
GLY A  82
SER A  16
THR A  94
 None
 1.03A 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 GLY A 404
SER A 410
THR A 268
PHE A 408
 ACE  A 633 (-3.1A)
None
None
None
 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 GLU B  51
GLY B  52
SER B  49
THR B  72
 None
 1.12A 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.
1w61 B-CELL MITOGEN

(Trypanosoma
cruzi) 		PF05544
(Pro_racemase) 		4 GLY A 131
SER A 305
THR A 304
PHE A 333
 PYC  A 700 (-3.7A)
None
None
None
 1.06A 1icuA-1w61A:
undetectable
1icuB-1w61A:
undetectable		 1icuA-1w61A:
20.54
1icuB-1w61A:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xss FLUORESCENT PROTEIN

(Favia favus) 		PF01353
(GFP) 		4 PHE A  68
GLU A   7
GLY A  31
THR A   5
 None
 1.16A 1icuA-1xssA:
undetectable
1icuB-1xssA:
undetectable		 1icuA-1xssA:
21.34
1icuB-1xssA:
21.34
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.
1xzq PROBABLE TRNA
MODIFICATION GTPASE
TRME

(Thermotoga
maritima) 		PF01926
(MMR_HSR1)
PF10396
(TrmE_N)
PF12631
(MnmE_helical) 		4 PHE A 113
GLU A 428
GLY A 431
PHE A 434
 None
 1.09A 1icuA-1xzqA:
undetectable
1icuB-1xzqA:
undetectable		 1icuA-1xzqA:
18.86
1icuB-1xzqA:
18.86
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.
1zyp ALKYL HYDROPEROXIDE
REDUCTASE SUBUNIT F

(Salmonella
enterica) 		PF13192
(Thioredoxin_3) 		4 GLU A  86
GLY A  84
SER A  89
THR A  88
 None
 1.07A 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 105
GLU A 108
GLY A 107
PHE A 249
 None
 0.98A 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.
2e3x COAGULATION FACTOR
X-ACTIVATING ENZYME
LIGHT CHAIN 1
COAGULATION FACTOR
X-ACTIVATING ENZYME
LIGHT CHAIN 2

(Daboia
siamensis) 		PF00059
(Lectin_C) 		4 GLU B  98
GLY B  95
SER C 110
PHE B  99
 None
 1.10A 1icuA-2e3xB:
undetectable
1icuB-2e3xB:
undetectable		 1icuA-2e3xB:
19.72
1icuB-2e3xB:
19.72
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.
2f57 SERINE/THREONINE-PRO
TEIN KINASE PAK 7

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLU A 635
GLY A 639
SER A 571
THR A 532
 None
 0.90A 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.
2fv0 UNSATURATED
GLUCURONYL HYDROLASE

(Bacillus sp.
GL1) 		PF07470
(Glyco_hydro_88) 		4 PHE A  74
GLY A  45
THR A  40
PHE A  24
 None
 1.13A 1icuA-2fv0A:
undetectable
1icuB-2fv0A:
undetectable		 1icuA-2fv0A:
21.43
1icuB-2fv0A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fw2 TESTIS-SPECIFIC
CHROMODOMAIN PROTEIN
Y 2

(Homo sapiens) 		PF00378
(ECH_1) 		4 PHE A  70
GLU A  32
SER A  23
THR A  24
 None
 0.87A 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.
2h63 BILIVERDIN REDUCTASE
A

(Homo sapiens) 		PF01408
(GFO_IDH_MocA)
PF09166
(Biliv-reduc_cat) 		4 GLY A 148
SER A 211
THR A 207
PHE A 180
 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.
2lba BABP PROTEIN

(Gallus gallus) 		PF14651
(Lipocalin_7) 		4 PHE A   2
GLU A  86
GLY A  88
THR A 100
 None
 0.93A 1icuA-2lbaA:
undetectable
1icuB-2lbaA:
undetectable		 1icuA-2lbaA:
22.37
1icuB-2lbaA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pb0 ACETYLORNITHINE/SUCC
INYLDIAMINOPIMELATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00202
(Aminotran_3) 		4 GLU A 207
GLY A 211
THR A 205
PHE A 208
 None
None
EDO  A1004 ( 4.4A)
None
 1.14A 1icuA-2pb0A:
undetectable
1icuB-2pb0A:
undetectable		 1icuA-2pb0A:
19.34
1icuB-2pb0A:
19.34
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.
2pbe AMINOGLYCOSIDE
6-ADENYLYLTRANSFERAS
E

(Bacillus
subtilis) 		PF04439
(Adenyl_transf) 		4 GLU A  75
GLY A  85
SER A  89
THR A 103
 None
 0.90A 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 GLY A 313
SER A  69
THR A  70
PHE A  67
 None
 1.13A 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.
2v5i SALMONELLA
TYPHIMURIUM DB7155
BACTERIOPHAGE DET7
TAILSPIKE

(unidentified
phage) 		PF09251
(PhageP22-tail) 		4 PHE A 381
GLY A 393
SER A 429
PHE A 426
 None
 1.14A 1icuA-2v5iA:
undetectable
1icuB-2v5iA:
undetectable		 1icuA-2v5iA:
16.73
1icuB-2v5iA:
16.73
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.
2v8j PECTATE LYASE

(Yersinia
enterocolitica) 		PF06917
(Pectate_lyase_2) 		4 PHE A  49
GLY A 121
THR A 514
PHE A 111
 None
 0.99A 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 PHE A  96
GLY A 208
THR A 279
PHE A 238
 None
 0.94A 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.
2wmh FUCOLECTIN-RELATED
PROTEIN

(Streptococcus
pneumoniae) 		PF08306
(Glyco_hydro_98M)
PF08307
(Glyco_hydro_98C) 		4 PHE A 360
GLU A 410
SER A 408
THR A 405
 None
 1.15A 1icuA-2wmhA:
undetectable
1icuB-2wmhA:
undetectable		 1icuA-2wmhA:
16.64
1icuB-2wmhA:
16.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xrd COMPLEMENT
REGULATORY PROTEIN
CRRY

(Rattus
norvegicus) 		PF00084
(Sushi) 		4 GLU A 205
GLY A 204
SER A 207
THR A 187
 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 PHE A 204
GLU A 428
GLY A 194
THR A  66
 None
 0.72A 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 GLU A 250
GLY A 252
SER A  51
THR A  52
 None
 1.00A 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 PHE A 136
GLY A 171
SER A 154
THR A 155
 None
 1.06A 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 225
GLU A 183
GLY A 186
PHE A 215
 None
 1.08A 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 PHE A  81
GLU A  40
SER A  61
THR A  85
 None
 1.04A 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 GLU A   7
GLY A   8
SER A 399
THR A 381
 None
 0.89A 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.
3evn OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Streptococcus
agalactiae) 		PF01408
(GFO_IDH_MocA) 		4 PHE A 178
GLU A 168
GLY A 173
THR A 164
 None
 0.92A 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.
3ez1 AMINOTRANSFERASE
MOCR FAMILY

(Deinococcus
geothermalis) 		PF12897
(Aminotran_MocR) 		4 GLU A 187
GLY A 156
SER A 182
PHE A 177
 None
 1.16A 1icuA-3ez1A:
undetectable
1icuB-3ez1A:
undetectable		 1icuA-3ez1A:
20.57
1icuB-3ez1A:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gri DIHYDROOROTASE

(Staphylococcus
aureus) 		PF01979
(Amidohydro_1) 		4 GLU A 162
GLY A 163
SER A 158
THR A 156
 None
 0.99A 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 PHE A 821
GLU A 801
SER A 799
PHE A 793
 None
 1.09A 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 PHE A 316
GLU A  61
GLY A 333
SER A 328
 None
 1.07A 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.
3h6z POLYCOMB PROTEIN
SFMBT

(Drosophila
melanogaster) 		PF02820
(MBT) 		4 PHE A 660
GLY A 614
SER A 611
THR A 599
 None
 1.09A 1icuA-3h6zA:
undetectable
1icuB-3h6zA:
undetectable		 1icuA-3h6zA:
19.32
1icuB-3h6zA:
19.32
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.
3hj4 MINOR
EDITOSOME-ASSOCIATED
TUTASE

(Trypanosoma
brucei) 		no annotation 4 PHE A 183
GLU A 334
SER A 266
PHE A 336
 None
 0.99A 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.
3kzw CYTOSOL
AMINOPEPTIDASE

(Staphylococcus
aureus) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		4 GLU A 132
GLY A 128
THR A 135
PHE A  95
 None
 1.07A 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 PHE A 191
GLY A 187
SER A 205
THR A 202
 None
 1.01A 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 PHE A 150
GLY A 170
THR A  84
PHE A  60
 None
 0.97A 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 PHE A 178
GLU A 117
GLY A 138
SER A 119
 None
None
None
CLJ  A 394 (-3.6A)
 1.05A 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 PHE A 218
GLU A  55
GLY A 127
THR A 226
 None
 0.86A 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 GLU A 118
GLY A 139
SER A 102
THR A 103
 None
 0.76A 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.
3rg1 CD180 MOLECULE

(Bos taurus) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		4 PHE A  81
GLU A  40
SER A  61
THR A  85
 None
 1.04A 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 GLU A  76
GLY A  78
SER A  83
THR A 120
 None
 0.94A 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.
3t6q CD180 ANTIGEN

(Mus musculus) 		PF13855
(LRR_8) 		4 PHE A  81
GLU A  40
SER A  61
THR A  85
 None
 1.15A 1icuA-3t6qA:
undetectable
1icuB-3t6qA:
undetectable		 1icuA-3t6qA:
15.55
1icuB-3t6qA:
15.55
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.
3ty1 HYPOTHETICAL ALDOSE
1-EPIMERASE

(Klebsiella
pneumoniae) 		PF14486
(DUF4432) 		4 GLU A 346
GLY A 141
SER A 338
THR A 337
 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.
3vk5 MOEO5

(Streptomyces
viridosporus) 		PF01884
(PcrB) 		4 PHE A 215
GLU A 182
THR A 177
PHE A 160
 None
 1.12A 1icuA-3vk5A:
undetectable
1icuB-3vk5A:
undetectable		 1icuA-3vk5A:
21.91
1icuB-3vk5A:
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.
3vps NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Streptomyces
chartreusis) 		PF01370
(Epimerase) 		4 GLU A 151
GLY A 149
SER A 118
THR A 119
 None
None
None
UD1  A 400 (-3.0A)
 1.16A 1icuA-3vpsA:
undetectable
1icuB-3vpsA:
undetectable		 1icuA-3vpsA:
22.12
1icuB-3vpsA:
22.12
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.
3zxl HIAXHD3

(Humicola
insolens) 		PF04616
(Glyco_hydro_43) 		4 GLU A  39
GLY A 402
SER A 342
THR A 343
 None
 1.12A 1icuA-3zxlA:
undetectable
1icuB-3zxlA:
undetectable		 1icuA-3zxlA:
16.57
1icuB-3zxlA:
16.57
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.
4ak9 CPFTSY

(Physcomitrella
patens) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		4 PHE A 377
GLY A 343
SER A 348
PHE A 126
 None
 1.06A 1icuA-4ak9A:
undetectable
1icuB-4ak9A:
undetectable		 1icuA-4ak9A:
19.75
1icuB-4ak9A:
19.75
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.
4bxo FANCONI ANEMIA GROUP
M PROTEIN

(Homo sapiens) 		PF02732
(ERCC4) 		4 GLU A1826
GLY A1823
SER A1829
THR A1828
 CA  A2050 ( 4.8A)
None
None
None
 1.04A 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 PHE A 480
GLU A 463
GLY A 461
THR A 473
 None
 1.01A 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 GLU A 507
GLY A 511
SER A 443
THR A 404
 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 GLU A  78
GLY A  76
SER A  40
THR A  39
 None
 0.78A 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.
4kqk NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Salmonella
enterica) 		PF02277
(DBI_PRT) 		4 PHE A 265
GLU A 197
SER A 193
THR A 191
 None
 1.04A 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 GLU A 593
GLY A 597
SER A 529
THR A 490
 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 PHE A 324
GLU A 361
GLY A 360
SER A 335
 None
 0.84A 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 PHE A  87
GLY A  34
SER A  49
PHE A  51
 None
 1.03A 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 PHE A 700
GLU A 721
GLY A 722
SER A 667
 None
 1.15A 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.
4p7h MYOSIN-7,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Homo sapiens) 		PF00063
(Myosin_head)
PF01353
(GFP)
PF02736
(Myosin_N) 		4 GLU A  55
GLY A  56
SER A  53
THR A  60
 None
 1.10A 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 PHE A 241
GLU A 245
GLY A 355
THR A 293
 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 GLU A 534
GLY A 533
SER A 530
THR A 454
 None
 1.07A 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 GLU A 104
GLY B  64
SER B 215
THR B 216
 None
 1.15A 1icuA-4r1dA:
undetectable
1icuB-4r1dA:
undetectable		 1icuA-4r1dA:
16.76
1icuB-4r1dA:
16.76
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.
4uw2 CSM1

(Thermococcus
onnurineus) 		PF01966
(HD) 		4 GLU A 445
GLY A 446
THR A 435
PHE A 451
 None
 0.99A 1icuA-4uw2A:
1.5
1icuB-4uw2A:
1.4		 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.
4wj1 ANTIGEN MTB48,
MYCOBACTERIAL
PROTEIN

(Mycolicibacterium
smegmatis) 		no annotation 4 PHE A 174
GLU A  65
GLY A  64
THR A  22
 None
 1.16A 1icuA-4wj1A:
undetectable
1icuB-4wj1A:
undetectable		 1icuA-4wj1A:
21.55
1icuB-4wj1A:
21.55
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.
4wpg DTDP-4-DEHYDRORHAMNO
SE REDUCTASE

(Streptococcus
pyogenes) 		PF04321
(RmlD_sub_bind) 		4 PHE A 163
GLU A  14
GLY A 155
PHE A 277
 None
 1.16A 1icuA-4wpgA:
undetectable
1icuB-4wpgA:
undetectable		 1icuA-4wpgA:
22.59
1icuB-4wpgA:
22.59
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.
4xbr PROTEIN
FAM212A,SERINE/THREO
NINE-PROTEIN KINASE
PAK 4

(Homo sapiens) 		PF00069
(Pkinase)
PF15342
(FAM212) 		4 GLU A 507
GLY A 511
SER A 443
THR A 404
 None
 0.92A 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 GLU A  86
GLY A  84
SER A  89
THR A  88
 None
 1.06A 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.
4yj1 UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF09818
(ABC_ATPase) 		4 GLU A 630
SER A 168
THR A 169
PHE A 642
 None
 1.15A 1icuA-4yj1A:
undetectable
1icuB-4yj1A:
undetectable		 1icuA-4yj1A:
14.94
1icuB-4yj1A:
14.94
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.
5aoc ESTERASE

(Thermogutta
terrifontis) 		PF07859
(Abhydrolase_3) 		4 PHE A  63
GLY A 125
THR A 264
PHE A 251
 None
 1.13A 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.
5e5b FACT COMPLEX SUBUNIT
SPT16

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		4 PHE A 257
GLY A 404
THR A 272
PHE A 402
 None
 1.10A 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.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 GLU B 649
GLY B 651
SER B 590
THR B 565
 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 PHE A 462
GLU A 458
GLY A 560
SER A 456
 None
 1.04A 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.
5ic9 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF04003
(Utp12) 		4 PHE A 860
GLU A 787
GLY A 789
THR A 853
 None
 1.13A 1icuA-5ic9A:
undetectable
1icuB-5ic9A:
undetectable		 1icuA-5ic9A:
21.83
1icuB-5ic9A:
21.83
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.
5jm0 ALPHA-MANNOSIDASE,AL
PHA-MANNOSIDASE,ALPH
A-MANNOSIDASE

(Saccharomyces
cerevisiae) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 PHE A 541
GLY A 494
SER A 447
THR A 448
 None
 0.93A 1icuA-5jm0A:
undetectable
1icuB-5jm0A:
undetectable		 1icuA-5jm0A:
11.71
1icuB-5jm0A:
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.
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLU A 456
GLY A 460
SER A 392
THR A 353
 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.
5l20 CLOSTRIPAIN-RELATED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF03415
(Peptidase_C11) 		4 PHE B 259
GLY B 271
SER B 230
THR B 229
 None
 1.08A 1icuA-5l20B:
undetectable
1icuB-5l20B:
undetectable		 1icuA-5l20B:
21.12
1icuB-5l20B:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ldt MOMP PORIN

(Campylobacter
jejuni) 		PF05538
(Campylo_MOMP) 		4 PHE A  29
GLU A 358
SER A 378
THR A 396
 None
 0.86A 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 PHE A2171
GLU A2134
GLY A2133
SER A2136
 None
 1.04A 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 402
GLU A 484
GLY A 444
PHE A 440
 None
6A9  A 903 ( 3.9A)
None
None
 1.16A 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.
5nrm DOCCEL5: TYPE I
DOCKERIN REPEAT
DOMAIN FROM A.
CELLULOLYTICUS
FAMILY 5
ENDOGLUCANASE
WP_010249057 S51I,
L52N MUTANT
ENDOGLUCANASE

(Acetivibrio
cellulolyticus) 		no annotation 4 PHE A  95
SER B  16
THR A  35
PHE A 122
 None
 1.11A 1icuA-5nrmA:
undetectable
1icuB-5nrmA:
undetectable		 1icuA-5nrmA:
18.05
1icuB-5nrmA:
18.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vef SERINE/THREONINE-PRO
TEIN KINASE PAK 4

(Homo sapiens) 		no annotation 4 GLU A 507
GLY A 511
SER A 443
THR A 404
 ACT  A 602 (-3.9A)
None
ACT  A 602 (-3.4A)
ACT  A 602 (-3.3A)
 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 PHE A 218
GLU A  55
GLY A 127
THR A 226
 None
 1.12A 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.
6c4g ASPARTIC PROTEASE
PM5

(Plasmodium
vivax) 		no annotation 4 GLU A  72
GLY A  69
SER A 155
THR A 165
 None
 1.09A 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 GLU A  55
GLY A  58
THR A  41
PHE A  54
 None
None
SO4  A 304 ( 4.1A)
NA  C 401 ( 3.4A)
 1.00A 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 PHE A 313
GLY A 273
SER A 270
THR A 301
 None
 1.05A 1icuA-6ey4A:
undetectable
1icuB-6ey4A:
undetectable		 1icuA-6ey4A:
19.10
1icuB-6ey4A:
19.10