SIMILAR PATTERNS OF AMINO ACIDS FOR 1ICU_D_NIOD223

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
 1.22A 1icuC-1clwA:
0.0
1icuD-1clwA:
undetectable		 1icuC-1clwA:
18.05
1icuD-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.
1ddv GLGF-DOMAIN PROTEIN
HOMER

(Rattus
norvegicus) 		PF00568
(WH1) 		4 GLY A  89
SER A  71
THR A  70
PHE A  74
 None
 1.14A 1icuC-1ddvA:
0.0
1icuD-1ddvA:
0.0		 1icuC-1ddvA:
18.48
1icuD-1ddvA:
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.
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
 1.11A 1icuC-1dedA:
0.0
1icuD-1dedA:
0.0		 1icuC-1dedA:
16.14
1icuD-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.
1eje FMN-BINDING PROTEIN

(Methanothermobacter
thermautotrophicus) 		PF01613
(Flavin_Reduct) 		4 GLY A 179
SER A  47
THR A  29
PHE A 182
 SO4  A 301 (-3.4A)
FMN  A 401 (-3.3A)
FMN  A 401 ( 3.6A)
FMN  A 401 (-4.6A)
 1.36A 1icuC-1ejeA:
0.0
1icuD-1ejeA:
0.0		 1icuC-1ejeA:
23.26
1icuD-1ejeA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jxn ANTI-H(O) LECTIN I

(Ulex europaeus) 		PF00139
(Lectin_legB) 		4 GLY A 104
SER A 215
THR A  90
PHE A 107
 MFU  A 501 (-3.5A)
None
None
None
 1.22A 1icuC-1jxnA:
0.0
1icuD-1jxnA:
0.0		 1icuC-1jxnA:
21.84
1icuD-1jxnA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.06A 1icuC-1l1fA:
0.0
1icuD-1l1fA:
0.0		 1icuC-1l1fA:
19.29
1icuD-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
 1.02A 1icuC-1narA:
0.0
1icuD-1narA:
0.0		 1icuC-1narA:
22.34
1icuD-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.
1pgu ACTIN INTERACTING
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 PHE A 187
GLY A 236
SER A 171
PHE A 214
 None
 1.01A 1icuC-1pguA:
0.0
1icuD-1pguA:
0.0		 1icuC-1pguA:
17.89
1icuD-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.
1rpu 19 KDA PROTEIN

(Carnation
Italian
ringspot virus) 		PF03220
(Tombus_P19) 		4 PHE A 116
GLY A  58
SER A  82
THR A  79
 None
 1.25A 1icuC-1rpuA:
0.0
1icuD-1rpuA:
0.0		 1icuC-1rpuA:
21.40
1icuD-1rpuA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.10A 1icuC-1sp3A:
undetectable
1icuD-1sp3A:
undetectable		 1icuC-1sp3A:
19.38
1icuD-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
 1.14A 1icuC-1tqyA:
undetectable
1icuD-1tqyA:
undetectable		 1icuC-1tqyA:
20.53
1icuD-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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4) 		4 PHE A 852
GLY A 854
THR A 836
PHE A 858
 None
 1.30A 1icuC-1vrqA:
undetectable
1icuD-1vrqA:
undetectable		 1icuC-1vrqA:
14.11
1icuD-1vrqA:
14.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wao SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5) 		4 PHE 1 254
SER 1 447
THR 1 243
PHE 1 268
 None
 1.23A 1icuC-1wao1:
undetectable
1icuD-1wao1:
undetectable		 1icuC-1wao1:
19.18
1icuD-1wao1:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x9d ENDOPLASMIC
RETICULUM
MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E

(Homo sapiens) 		PF01532
(Glyco_hydro_47) 		4 PHE A 518
GLY A 511
THR A 508
PHE A 509
 None
 1.37A 1icuC-1x9dA:
undetectable
1icuD-1x9dA:
undetectable		 1icuC-1x9dA:
17.36
1icuD-1x9dA:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xhb POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 1

(Mus musculus) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		4 GLY A 293
SER A 324
THR A 290
PHE A 265
 None
 1.15A 1icuC-1xhbA:
undetectable
1icuD-1xhbA:
undetectable		 1icuC-1xhbA:
19.49
1icuD-1xhbA:
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.
1xsz GUANINE NUCLEOTIDE
EXCHANGE PROTEIN

(Legionella
pneumophila) 		PF01369
(Sec7) 		4 PHE A 114
GLY A  90
THR A 139
PHE A  87
 None
 1.19A 1icuC-1xszA:
undetectable
1icuD-1xszA:
undetectable		 1icuC-1xszA:
21.98
1icuD-1xszA:
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.
1zc1 UBIQUITIN FUSION
DEGRADATION PROTEIN
1

(Saccharomyces
cerevisiae) 		PF03152
(UFD1) 		4 PHE A 151
GLY A  45
SER A 163
THR A 168
 None
 1.25A 1icuC-1zc1A:
undetectable
1icuD-1zc1A:
undetectable		 1icuC-1zc1A:
18.83
1icuD-1zc1A:
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.
2bs4 QUINOL-FUMARATE
REDUCTASE DIHEME
CYTOCHROME B SUBUNIT
C

(Wolinella
succinogenes) 		PF01127
(Sdh_cyt) 		4 GLY C  43
SER C  49
THR C  50
PHE C  47
 None
 1.29A 1icuC-2bs4C:
undetectable
1icuD-2bs4C:
undetectable		 1icuC-2bs4C:
22.76
1icuD-2bs4C:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cp3 CLIP-115

(Homo sapiens) 		PF01302
(CAP_GLY) 		4 PHE A  59
GLY A  39
THR A  30
PHE A  68
 None
 1.09A 1icuC-2cp3A:
undetectable
1icuD-2cp3A:
undetectable		 1icuC-2cp3A:
17.06
1icuD-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 PHE A  59
GLY A  39
THR A  30
PHE A  68
 None
 1.10A 1icuC-2cp7A:
undetectable
1icuD-2cp7A:
undetectable		 1icuC-2cp7A:
18.84
1icuD-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.
2g0y PENTAPEPTIDE REPEAT
PROTEIN

(Cyanothece sp.
ATCC 51142) 		PF00805
(Pentapeptide) 		4 PHE A  39
SER A  52
THR A  72
PHE A  49
 None
 1.29A 1icuC-2g0yA:
undetectable
1icuD-2g0yA:
undetectable		 1icuC-2g0yA:
24.00
1icuD-2g0yA:
24.00
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.
2gjm LACTOPEROXIDASE

(Bubalus bubalis) 		PF03098
(An_peroxidase) 		4 PHE A 334
GLY A  90
SER A 389
PHE A  86
 HEM  A 605 ( 4.7A)
HEM  A 605 (-3.4A)
None
None
 1.29A 1icuC-2gjmA:
undetectable
1icuD-2gjmA:
undetectable		 1icuC-2gjmA:
16.78
1icuD-2gjmA:
16.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.24A 1icuC-2h63A:
undetectable
1icuD-2h63A:
undetectable		 1icuC-2h63A:
22.22
1icuD-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.
2i44 SERINE-THREONINE
PHOSPHATASE 2C

(Toxoplasma
gondii) 		PF00481
(PP2C) 		4 PHE A  66
GLY A  64
THR A  16
PHE A  62
 None
 1.36A 1icuC-2i44A:
undetectable
1icuD-2i44A:
0.6		 1icuC-2i44A:
23.53
1icuD-2i44A:
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.
2isa CATALASE

(Aliivibrio
salmonicida) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 PHE A 438
GLY A 468
THR A 176
PHE A 426
 None
 1.26A 1icuC-2isaA:
undetectable
1icuD-2isaA:
undetectable		 1icuC-2isaA:
17.77
1icuD-2isaA:
17.77
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.
2qez ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Listeria
monocytogenes) 		PF06751
(EutB) 		4 PHE A 314
GLY A 262
THR A 256
PHE A 260
 None
 1.25A 1icuC-2qezA:
undetectable
1icuD-2qezA:
undetectable		 1icuC-2qezA:
18.64
1icuD-2qezA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.15A 1icuC-2qt3A:
undetectable
1icuD-2qt3A:
undetectable		 1icuC-2qt3A:
20.70
1icuD-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
 1.19A 1icuC-2v5iA:
undetectable
1icuD-2v5iA:
undetectable		 1icuC-2v5iA:
16.73
1icuD-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
 0.91A 1icuC-2v8jA:
undetectable
1icuD-2v8jA:
undetectable		 1icuC-2v8jA:
17.76
1icuD-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.
2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE

(Lactococcus
lactis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 PHE A 381
GLY A 397
SER A 244
PHE A 395
 PHE  A 381 ( 1.3A)
GLY  A 397 ( 0.0A)
SER  A 244 ( 0.0A)
PHE  A 395 ( 1.3A)
 1.34A 1icuC-2vbfA:
undetectable
1icuD-2vbfA:
undetectable		 1icuC-2vbfA:
18.27
1icuD-2vbfA:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.85A 1icuC-2wk8A:
undetectable
1icuD-2wk8A:
undetectable		 1icuC-2wk8A:
22.86
1icuD-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.
2wnb -

(Sus scrofa) 		PF00777
(Glyco_transf_29) 		4 GLY A 273
SER A 325
THR A 328
PHE A 292
 C5P  A1344 (-3.2A)
None
None
C5P  A1344 (-4.6A)
 1.36A 1icuC-2wnbA:
undetectable
1icuD-2wnbA:
undetectable		 1icuC-2wnbA:
20.77
1icuD-2wnbA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.10A 1icuC-2ynpA:
undetectable
1icuD-2ynpA:
undetectable		 1icuC-2ynpA:
17.00
1icuD-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.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 GLY A 121
SER A 180
THR A 176
PHE A 118
 None
THM  A6510 ( 4.7A)
None
None
 1.21A 1icuC-2z1aA:
undetectable
1icuD-2z1aA:
undetectable		 1icuC-2z1aA:
17.59
1icuD-2z1aA:
17.59
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.
3blz NTF2-LIKE PROTEIN OF
UNKNOWN FUNCTION

(Shewanella
baltica) 		PF12893
(Lumazine_bd_2) 		4 PHE A 101
GLY A  98
SER A  70
PHE A  67
 None
 1.23A 1icuC-3blzA:
undetectable
1icuD-3blzA:
undetectable		 1icuC-3blzA:
21.80
1icuD-3blzA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 PHE A 501
GLY A 469
SER A 826
THR A 829
 None
 1.21A 1icuC-3ecqA:
undetectable
1icuD-3ecqA:
undetectable		 1icuC-3ecqA:
9.53
1icuD-3ecqA:
9.53
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.
3h6z POLYCOMB PROTEIN
SFMBT

(Drosophila
melanogaster) 		PF02820
(MBT) 		4 PHE A 660
GLY A 614
SER A 611
THR A 599
 None
 1.15A 1icuC-3h6zA:
undetectable
1icuD-3h6zA:
undetectable		 1icuC-3h6zA:
19.32
1icuD-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.
3hea ARYLESTERASE

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		4 PHE A  93
GLY A 252
THR A 179
PHE A 162
 EEE  A 300 (-4.5A)
None
GOL  A 274 (-4.1A)
None
 1.10A 1icuC-3heaA:
undetectable
1icuD-3heaA:
undetectable		 1icuC-3heaA:
21.75
1icuD-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.
3hh8 METAL ABC
TRANSPORTER
SUBSTRATE-BINDING
LIPOPROTEIN

(Streptococcus
pyogenes) 		PF01297
(ZnuA) 		4 PHE A 191
GLY A 216
SER A 219
PHE A 211
 None
 1.24A 1icuC-3hh8A:
undetectable
1icuD-3hh8A:
undetectable		 1icuC-3hh8A:
21.38
1icuD-3hh8A:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ial PROLYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 PHE A 272
GLY A 243
SER A 247
PHE A 241
 None
None
GOL  A 602 ( 4.3A)
PR8  A 601 ( 4.1A)
 1.17A 1icuC-3ialA:
1.8
1icuD-3ialA:
2.1		 1icuC-3ialA:
17.53
1icuD-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.
3icf SERINE/THREONINE-PRO
TEIN PHOSPHATASE T

(Saccharomyces
cerevisiae) 		PF00149
(Metallophos)
PF08321
(PPP5) 		4 PHE A 261
SER A 454
THR A 250
PHE A 275
 None
 1.25A 1icuC-3icfA:
undetectable
1icuD-3icfA:
undetectable		 1icuC-3icfA:
20.06
1icuD-3icfA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ixw HEMOCYANIN AA6 CHAIN

(Androctonus
australis) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 PHE A 368
GLY A 194
SER A 308
PHE A 197
 None
 1.25A 1icuC-3ixwA:
undetectable
1icuD-3ixwA:
undetectable		 1icuC-3ixwA:
14.49
1icuD-3ixwA:
14.49
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.
3kn3 PUTATIVE PERIPLASMIC
PROTEIN

(Wolinella
succinogenes) 		PF12849
(PBP_like_2) 		4 PHE A  83
GLY A 122
SER A  11
THR A  12
 None
GOL  A 262 (-4.1A)
GOL  A 262 ( 4.1A)
None
 0.94A 1icuC-3kn3A:
undetectable
1icuD-3kn3A:
undetectable		 1icuC-3kn3A:
21.45
1icuD-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.
3lku UPF0363 PROTEIN
YOR164C

(Saccharomyces
cerevisiae) 		PF04190
(DUF410) 		4 PHE A  63
GLY A  59
THR A  35
PHE A  20
 None
 1.20A 1icuC-3lkuA:
undetectable
1icuD-3lkuA:
undetectable		 1icuC-3lkuA:
21.12
1icuD-3lkuA:
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.
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
 1.03A 1icuC-3m4xA:
undetectable
1icuD-3m4xA:
undetectable		 1icuC-3m4xA:
19.49
1icuD-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.
3mi6 ALPHA-GALACTOSIDASE

(Lactobacillus
brevis) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 PHE A 342
GLY A 369
SER A 380
THR A 379
 None
 1.32A 1icuC-3mi6A:
undetectable
1icuD-3mi6A:
undetectable		 1icuC-3mi6A:
15.51
1icuD-3mi6A:
15.51
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.
3mkq COATOMER
BETA'-SUBUNIT

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF04053
(Coatomer_WDAD) 		4 PHE A 136
GLY A 171
SER A 154
THR A 155
 None
 1.33A 1icuC-3mkqA:
undetectable
1icuD-3mkqA:
undetectable		 1icuC-3mkqA:
15.40
1icuD-3mkqA:
15.40
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.
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
 1.02A 1icuC-3mtvA:
undetectable
1icuD-3mtvA:
undetectable		 1icuC-3mtvA:
20.89
1icuD-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.
3p02 UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF14274
(DUF4361)
PF16343
(DUF4973) 		4 PHE A 297
GLY A 219
SER A 302
THR A 301
 None
EDO  A   3 (-4.5A)
EDO  A   3 ( 4.3A)
None
 1.25A 1icuC-3p02A:
undetectable
1icuD-3p02A:
undetectable		 1icuC-3p02A:
19.25
1icuD-3p02A:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r2u METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		4 PHE A 148
GLY A 144
SER A 123
THR A 120
 None
 1.15A 1icuC-3r2uA:
undetectable
1icuD-3r2uA:
undetectable		 1icuC-3r2uA:
19.74
1icuD-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.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		4 PHE A 657
GLY A 675
SER A 672
THR A 651
 None
 1.33A 1icuC-3syjA:
undetectable
1icuD-3syjA:
undetectable		 1icuC-3syjA:
12.56
1icuD-3syjA:
12.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vn4 A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 13

(Homo sapiens) 		PF00090
(TSP_1) 		4 PHE A 530
GLY A 403
SER A 394
THR A 406
 None
 1.26A 1icuC-3vn4A:
undetectable
1icuD-3vn4A:
undetectable		 1icuC-3vn4A:
18.20
1icuD-3vn4A:
18.20
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.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		4 PHE A  71
GLY A  69
THR A 133
PHE A 130
 None
 1.30A 1icuC-3zq4A:
undetectable
1icuD-3zq4A:
undetectable		 1icuC-3zq4A:
16.55
1icuD-3zq4A:
16.55
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.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 GLY A 132
SER A 192
THR A 188
PHE A 129
 None
 1.20A 1icuC-3zu0A:
undetectable
1icuD-3zu0A:
undetectable		 1icuC-3zu0A:
18.07
1icuD-3zu0A:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 GLY A 195
SER A 192
THR A 188
PHE A 129
 None
 1.38A 1icuC-3zu0A:
undetectable
1icuD-3zu0A:
undetectable		 1icuC-3zu0A:
18.07
1icuD-3zu0A:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		4 GLY A 245
SER A 634
THR A 635
PHE A  88
 None
 1.11A 1icuC-4a01A:
undetectable
1icuD-4a01A:
undetectable		 1icuC-4a01A:
14.99
1icuD-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.
4ack TSSL

(Francisella
tularensis) 		PF09850
(DotU) 		4 PHE A 132
GLY A 100
THR A 107
PHE A 104
 None
EDO  A1157 ( 3.8A)
None
None
 1.22A 1icuC-4ackA:
undetectable
1icuD-4ackA:
undetectable		 1icuC-4ackA:
21.49
1icuD-4ackA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cs6 AMINOGLYCOSIDE
ADENYLTRANSFERASE

(Salmonella
enterica) 		PF01909
(NTP_transf_2)
PF13427
(DUF4111) 		4 PHE A 261
GLY A 200
SER A 204
PHE A 202
 None
 1.37A 1icuC-4cs6A:
1.8
1icuD-4cs6A:
1.9		 1icuC-4cs6A:
23.24
1icuD-4cs6A:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d7q RALF,
PROLINE/BETAINE
TRANSPORTER

(Legionella
pneumophila;
Rickettsia
prowazekii) 		PF01369
(Sec7) 		4 PHE A 114
GLY A  90
THR A 139
PHE A  87
 None
 1.21A 1icuC-4d7qA:
undetectable
1icuD-4d7qA:
undetectable		 1icuC-4d7qA:
22.41
1icuD-4d7qA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gym GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Conexibacter
woesei) 		no annotation 4 PHE A 117
GLY A 100
THR A  26
PHE A  23
 None
 1.37A 1icuC-4gymA:
undetectable
1icuD-4gymA:
undetectable		 1icuC-4gymA:
22.22
1icuD-4gymA:
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.
4h1s 5'-NUCLEOTIDASE

(Homo sapiens) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 GLY A 123
SER A 185
THR A 181
PHE A 120
 None
 1.32A 1icuC-4h1sA:
undetectable
1icuD-4h1sA:
undetectable		 1icuC-4h1sA:
18.66
1icuD-4h1sA:
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.
4ha4 BETA-GALACTOSIDASE

(Acidilobus
saccharovorans) 		PF00232
(Glyco_hydro_1) 		4 PHE A 292
GLY A 316
SER A 204
THR A 205
 None
 1.35A 1icuC-4ha4A:
undetectable
1icuD-4ha4A:
undetectable		 1icuC-4ha4A:
22.27
1icuD-4ha4A:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ivn TRANSCRIPTIONAL
REGULATOR

(Vibrio
vulnificus) 		PF01380
(SIS)
PF01418
(HTH_6) 		4 PHE A 159
GLY A 131
SER A 172
PHE A 129
 None
 1.21A 1icuC-4ivnA:
undetectable
1icuD-4ivnA:
undetectable		 1icuC-4ivnA:
21.48
1icuD-4ivnA:
21.48
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.
4j73 COATOMER SUBUNIT
BETA'

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 PHE A 136
GLY A 171
SER A 154
THR A 155
 None
 1.26A 1icuC-4j73A:
undetectable
1icuD-4j73A:
undetectable		 1icuC-4j73A:
20.92
1icuD-4j73A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Paenibacillus
macerans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		4 PHE A 426
GLY A 503
SER A  13
THR A  14
 CL  A 705 ( 4.7A)
None
None
None
 1.29A 1icuC-4jclA:
undetectable
1icuD-4jclA:
undetectable		 1icuC-4jclA:
16.16
1icuD-4jclA:
16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jgn RNA SILENCING
SUPPRESSOR P19

(Tomato bushy
stunt virus) 		PF03220
(Tombus_P19) 		4 PHE A  94
GLY A  36
SER A  60
THR A  57
 None
 1.27A 1icuC-4jgnA:
undetectable
1icuD-4jgnA:
undetectable		 1icuC-4jgnA:
21.00
1icuD-4jgnA:
21.00
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.
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
 0.97A 1icuC-4mzqA:
undetectable
1icuD-4mzqA:
undetectable		 1icuC-4mzqA:
20.74
1icuD-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.
4p2l SULFHYDRYL OXIDASE 1

(Rattus
norvegicus) 		PF00085
(Thioredoxin)
PF04777
(Evr1_Alr) 		4 PHE A 116
GLY A 134
SER A 131
PHE A 127
 None
 1.38A 1icuC-4p2lA:
undetectable
1icuD-4p2lA:
undetectable		 1icuC-4p2lA:
19.84
1icuD-4p2lA:
19.84
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.
4pdd TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		4 PHE A 226
SER A  74
THR A  40
PHE A 199
 None
None
EAX  A 401 (-3.2A)
EAX  A 401 (-4.2A)
 1.36A 1icuC-4pddA:
undetectable
1icuD-4pddA:
2.1		 1icuC-4pddA:
21.97
1icuD-4pddA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qei GLYCINE--TRNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		4 PHE A  79
GLY A 611
THR A 538
PHE A 553
 None
 1.10A 1icuC-4qeiA:
1.2
1icuD-4qeiA:
1.9		 1icuC-4qeiA:
17.02
1icuD-4qeiA:
17.02
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.
4tsd HP1029

(Helicobacter
pylori) 		no annotation 4 PHE B  78
GLY B  76
SER B  73
PHE B 149
 None
 1.11A 1icuC-4tsdB:
undetectable
1icuD-4tsdB:
undetectable		 1icuC-4tsdB:
22.71
1icuD-4tsdB:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w8i PROBABLE
SPHINGOSINE-1-PHOSPH
ATE LYASE

(Legionella
pneumophila) 		PF00282
(Pyridoxal_deC) 		4 GLY A 296
SER A 353
THR A 352
PHE A 323
 None
 1.34A 1icuC-4w8iA:
undetectable
1icuD-4w8iA:
undetectable		 1icuC-4w8iA:
16.51
1icuD-4w8iA:
16.51
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.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		4 PHE A 904
GLY A1017
THR A1085
PHE A1083
 None
 1.32A 1icuC-4xqkA:
undetectable
1icuD-4xqkA:
undetectable		 1icuC-4xqkA:
8.70
1icuD-4xqkA:
8.70
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.
4y13 TRANSCRIPTIONAL
REGULATOR OF FTSQAZ
GENE CLUSTER

(Escherichia
coli) 		PF00196
(GerE)
PF03472
(Autoind_bind) 		4 GLY A 131
SER A 134
THR A 120
PHE A 132
 None
480  A 303 (-3.3A)
None
None
 1.29A 1icuC-4y13A:
undetectable
1icuD-4y13A:
undetectable		 1icuC-4y13A:
22.66
1icuD-4y13A:
22.66
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.
4yhw U4/U6 SMALL NUCLEAR
RIBONUCLEOPROTEIN
PRP3

(Saccharomyces
cerevisiae) 		PF06544
(DUF1115) 		4 PHE A 441
GLY A 367
SER A 460
PHE A 458
 U  E  87 ( 3.3A)
None
None
None
 1.07A 1icuC-4yhwA:
undetectable
1icuD-4yhwA:
undetectable		 1icuC-4yhwA:
18.30
1icuD-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.
4zh7 OUTER MEMBRANE
PROTEIN-ADHESIN

(Helicobacter
pylori) 		no annotation 4 PHE A 353
GLY A 338
THR A 349
PHE A 345
 None
 1.29A 1icuC-4zh7A:
undetectable
1icuD-4zh7A:
undetectable		 1icuC-4zh7A:
17.04
1icuD-4zh7A:
17.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 PHE A 501
GLY A 469
SER A 826
THR A 829
 None
 1.21A 1icuC-5a55A:
undetectable
1icuD-5a55A:
undetectable		 1icuC-5a55A:
11.01
1icuD-5a55A:
11.01
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.
5aoc ESTERASE

(Thermogutta
terrifontis) 		PF07859
(Abhydrolase_3) 		4 PHE A  63
GLY A 125
THR A 264
PHE A 251
 None
 1.18A 1icuC-5aocA:
undetectable
1icuD-5aocA:
undetectable		 1icuC-5aocA:
21.77
1icuD-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.
5cm6 TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Pseudoalteromonas
atlantica) 		PF03480
(DctP) 		4 PHE A 157
GLY A 154
THR A 297
PHE A 298
 None
 1.32A 1icuC-5cm6A:
undetectable
1icuD-5cm6A:
undetectable		 1icuC-5cm6A:
19.51
1icuD-5cm6A:
19.51
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.
5dxx ARTEMISINIC ALDEHYDE
DELTA(11(13))
REDUCTASE

(Artemisia annua) 		PF00724
(Oxidored_FMN) 		4 PHE A  99
GLY A 230
SER A 221
THR A 226
 None
 1.36A 1icuC-5dxxA:
undetectable
1icuD-5dxxA:
undetectable		 1icuC-5dxxA:
20.64
1icuD-5dxxA:
20.64
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.
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
 1.00A 1icuC-5e5bA:
undetectable
1icuD-5e5bA:
undetectable		 1icuC-5e5bA:
20.75
1icuD-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.
5ee4 HPUA

(Kingella
denitrificans) 		PF16960
(HpuA) 		4 PHE A 265
GLY A 263
THR A 287
PHE A  42
 None
 1.23A 1icuC-5ee4A:
undetectable
1icuD-5ee4A:
undetectable		 1icuC-5ee4A:
22.29
1icuD-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.
5f9a ADHESIN BINDING
FUCOSYLATED
HISTO-BLOOD GROUP
ANTIGEN,ADHESIN,ADHE
SIN BINDING
FUCOSYLATED
HISTO-BLOOD GROUP
ANTIGEN

(Helicobacter
pylori) 		no annotation 4 PHE A 347
GLY A 332
THR A 343
PHE A 339
 None
 1.37A 1icuC-5f9aA:
undetectable
1icuD-5f9aA:
undetectable		 1icuC-5f9aA:
17.22
1icuD-5f9aA:
17.22
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.
5gai TAIL FIBER PROTEIN

(Salmonella
virus P22) 		no annotation 4 PHE Y 337
GLY Y 349
SER Y 385
PHE Y 382
 None
 1.17A 1icuC-5gaiY:
undetectable
1icuD-5gaiY:
undetectable		 1icuC-5gaiY:
15.12
1icuD-5gaiY:
15.12
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.
5h7w VENOM
5'-NUCLEOTIDASE

(Naja atra) 		no annotation 4 GLY A 123
SER A 185
THR A 181
PHE A 120
 None
 1.34A 1icuC-5h7wA:
undetectable
1icuD-5h7wA:
undetectable		 1icuC-5h7wA:
19.40
1icuD-5h7wA:
19.40
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.
5iob BETA-GLUCOSIDASE-REL
ATED GLYCOSIDASES

(Corynebacterium
glutamicum) 		PF00933
(Glyco_hydro_3) 		4 GLY A 234
SER A 291
THR A 297
PHE A 232
 None
 1.36A 1icuC-5iobA:
undetectable
1icuD-5iobA:
undetectable		 1icuC-5iobA:
22.22
1icuD-5iobA:
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.
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 1icuC-5jm0A:
undetectable
1icuD-5jm0A:
undetectable		 1icuC-5jm0A:
11.71
1icuD-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.
5kij ENDOPLASMIC
RETICULUM
MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E

(Homo sapiens) 		PF01532
(Glyco_hydro_47) 		4 PHE A 518
GLY A 511
THR A 508
PHE A 509
 None
 1.38A 1icuC-5kijA:
undetectable
1icuD-5kijA:
undetectable		 1icuC-5kijA:
18.26
1icuD-5kijA:
18.26
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.
5l20 CLOSTRIPAIN-RELATED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF03415
(Peptidase_C11) 		4 PHE B 259
GLY B 271
SER B 230
THR B 229
 None
 1.16A 1icuC-5l20B:
undetectable
1icuD-5l20B:
undetectable		 1icuC-5l20B:
21.12
1icuD-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.
5lhs UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR

(Mus musculus) 		no annotation 4 PHE B  30
GLY B  43
SER B 195
PHE B  40
 None
 1.38A 1icuC-5lhsB:
undetectable
1icuD-5lhsB:
undetectable		 1icuC-5lhsB:
18.92
1icuD-5lhsB:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m7r PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		4 PHE A 145
GLY A 140
THR A 217
PHE A 173
 None
 1.28A 1icuC-5m7rA:
undetectable
1icuD-5m7rA:
undetectable		 1icuC-5m7rA:
13.19
1icuD-5m7rA:
13.19
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.
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
 1.22A 1icuC-5nrmA:
undetectable
1icuD-5nrmA:
undetectable		 1icuC-5nrmA:
18.05
1icuD-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.
5tem 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Vibrio
vulnificus) 		no annotation 4 PHE C 239
GLY C 214
SER C 164
THR C 166
 NAD  C1001 ( 4.0A)
None
PDC  C1002 (-4.2A)
PDC  C1002 (-3.7A)
 1.38A 1icuC-5temC:
undetectable
1icuD-5temC:
undetectable		 1icuC-5temC:
24.38
1icuD-5temC:
24.38
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.
5uhk O-GLCNACASE
TIM-BARREL DOMAIN

(Homo sapiens) 		PF07555
(NAGidase) 		4 PHE A 145
GLY A 140
THR A 217
PHE A 173
 None
 1.34A 1icuC-5uhkA:
undetectable
1icuD-5uhkA:
undetectable		 1icuC-5uhkA:
20.98
1icuD-5uhkA:
20.98
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.
5vvo PROTEIN O-GLCNACASE

(Homo sapiens) 		PF07555
(NAGidase) 		4 PHE A 145
GLY A 140
THR A 217
PHE A 173
 None
 1.32A 1icuC-5vvoA:
undetectable
1icuD-5vvoA:
undetectable		 1icuC-5vvoA:
17.55
1icuD-5vvoA:
17.55
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.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii) 		no annotation 4 GLY A 552
SER A 549
THR A 568
PHE A 551
 None
 1.30A 1icuC-5wugA:
undetectable
1icuD-5wugA:
undetectable		 1icuC-5wugA:
17.51
1icuD-5wugA:
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.
5ys6 PRV GLYCOPROTEN B

(Suid
alphaherpesvirus
1) 		no annotation 4 PHE A 407
SER A 528
THR A 526
PHE A 531
 None
 1.30A 1icuC-5ys6A:
undetectable
1icuD-5ys6A:
undetectable		 1icuC-5ys6A:
17.79
1icuD-5ys6A:
17.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z2g L-AMINO ACID OXIDASE

(Naja atra) 		no annotation 4 GLY A 384
SER A 381
THR A 380
PHE A 379
 None
 1.18A 1icuC-5z2gA:
undetectable
1icuD-5z2gA:
undetectable		 1icuC-5z2gA:
20.69
1icuD-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.
5za2 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 4 PHE A 158
GLY A  74
SER A 165
PHE A  83
 None
 1.18A 1icuC-5za2A:
undetectable
1icuD-5za2A:
undetectable		 1icuC-5za2A:
16.84
1icuD-5za2A:
16.84
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.
6fm7 BETA-LACTAMASE

(Aeromonas
enteropelogenes) 		no annotation 4 PHE A 156
GLY A  72
THR A 163
PHE A  81
 None
 1.22A 1icuC-6fm7A:
undetectable
1icuD-6fm7A:
undetectable		 1icuC-6fm7A:
16.36
1icuD-6fm7A:
16.36