SIMILAR PATTERNS OF AMINO ACIDS FOR 3IW1_A_ASDA1223

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.
1aj6 GYRASE

(Escherichia
coli) 		PF02518
(HATPase_c) 		5 ILE A  63
VAL A  71
ILE A  48
VAL A  44
VAL A  40
 None
 1.19A 3iw1A-1aj6A:
0.0		 3iw1A-1aj6A:
20.19
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.
1aye PROCARBOXYPEPTIDASE
A2

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 ILE A  18
VAL A 117
MET A  47
PRO A  46
SER A  41
 None
 0.91A 3iw1A-1ayeA:
0.0		 3iw1A-1ayeA:
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.
1b0k PROTEIN (ACONITASE)

(Sus scrofa) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 ILE A 248
VAL A 205
ILE A 263
VAL A 224
VAL A 220
 None
 1.21A 3iw1A-1b0kA:
0.0		 3iw1A-1b0kA:
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.
1dtd CARBOXYPEPTIDASE A2

(Homo sapiens) 		PF00246
(Peptidase_M14) 		5 ILE A 374
VAL A 472
MET A 403
PRO A 402
SER A 397
 None
 1.06A 3iw1A-1dtdA:
0.0		 3iw1A-1dtdA:
21.09
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.
1f8r L-AMINO ACID OXIDASE

(Calloselasma
rhodostoma) 		PF01593
(Amino_oxidase) 		5 ILE A 262
VAL A 299
VAL A  39
VAL A 290
VAL A 273
 None
None
FAD  A 527 (-4.7A)
None
None
 1.07A 3iw1A-1f8rA:
0.0		 3iw1A-1f8rA:
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.
1id2 AMICYANIN

(Paracoccus
versutus) 		PF00127
(Copper-bind) 		5 VAL A 105
VAL A  36
ILE A  81
VAL A  44
VAL A  22
 None
 1.26A 3iw1A-1id2A:
undetectable		 3iw1A-1id2A:
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.
1igt IGG2A INTACT
ANTIBODY - MAB231

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ILE B 351
VAL B 286
SER B 323
VAL B 321
VAL B 276
 None
 1.22A 3iw1A-1igtB:
0.0		 3iw1A-1igtB:
23.23
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.
1itu RENAL DIPEPTIDASE

(Homo sapiens) 		PF01244
(Peptidase_M19) 		5 ILE A 216
VAL A 199
VAL A 232
VAL A 236
VAL A 240
 None
 1.19A 3iw1A-1ituA:
0.0		 3iw1A-1ituA:
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.
1iwp GLYCEROL DEHYDRATASE
ALPHA SUBUNIT

(Klebsiella
pneumoniae) 		PF02286
(Dehydratase_LU) 		5 VAL A 461
PHE A 182
ILE A 176
VAL A 174
VAL A 204
 None
 1.25A 3iw1A-1iwpA:
undetectable		 3iw1A-1iwpA:
24.34
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.
1j6u UDP-N-ACETYLMURAMATE
-ALANINE LIGASE MURC

(Thermotoga
maritima) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 PHE A 345
VAL A 371
PRO A 409
SER A 434
VAL A 414
 None
 1.13A 3iw1A-1j6uA:
undetectable		 3iw1A-1j6uA:
22.14
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.
1kex NEUROPILIN-1

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		5 ILE A  14
VAL A  67
VAL A  64
ILE A 100
VAL A  90
 None
 1.24A 3iw1A-1kexA:
undetectable		 3iw1A-1kexA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lua METHYLENE
TETRAHYDROMETHANOPTE
RIN DEHYDROGENASE

(Methylobacterium
extorquens) 		PF09176
(Mpt_N) 		5 PHE A 194
VAL A 124
PRO A 205
ILE A 215
VAL A 187
 None
 1.20A 3iw1A-1luaA:
undetectable		 3iw1A-1luaA:
21.99
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.
1o4u TYPE II QUINOLIC
ACID
PHOSPHORIBOSYLTRANSF
ERASE

(Thermotoga
maritima) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 ILE A 218
VAL A 229
ILE A 184
VAL A 186
VAL A 188
 None
 1.18A 3iw1A-1o4uA:
undetectable		 3iw1A-1o4uA:
21.10
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.
1qys TOP7

(-) 		no annotation 5 ILE A  10
VAL A   6
MET A  37
ILE A  66
VAL A  70
 None
 1.24A 3iw1A-1qysA:
undetectable		 3iw1A-1qysA:
12.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r8g HYPOTHETICAL PROTEIN
YBDK

(Escherichia
coli) 		PF04107
(GCS2) 		5 PHE A 157
VAL A 158
PRO A 229
ILE A 257
VAL A 238
 None
 1.25A 3iw1A-1r8gA:
undetectable		 3iw1A-1r8gA:
23.56
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.
1tua HYPOTHETICAL PROTEIN
APE0754

(Aeropyrum
pernix) 		PF00013
(KH_1) 		5 VAL A  96
GLN A  95
ILE A 111
VAL A 137
VAL A  90
 None
 1.16A 3iw1A-1tuaA:
undetectable		 3iw1A-1tuaA:
22.51
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.
1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT

(Klebsiella
oxytoca) 		PF02286
(Dehydratase_LU) 		5 ILE A 431
VAL A 188
MET A 426
VAL A 473
VAL A 422
 None
 1.21A 3iw1A-1uc4A:
undetectable		 3iw1A-1uc4A:
23.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1udx THE GTP-BINDING
PROTEIN OBG

(Thermus
thermophilus) 		PF01018
(GTP1_OBG)
PF01926
(MMR_HSR1)
PF09269
(DUF1967) 		5 ILE A   8
VAL A  85
VAL A 115
PRO A  89
VAL A  94
 None
 1.03A 3iw1A-1udxA:
undetectable		 3iw1A-1udxA:
25.27
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.
1we5 PUTATIVE FAMILY 31
GLUCOSIDASE YICI

(Escherichia
coli) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ILE A  86
PHE A  57
ILE A  94
VAL A  92
VAL A  90
 None
 1.14A 3iw1A-1we5A:
undetectable		 3iw1A-1we5A:
19.59
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.
2boa CARBOXYPEPTIDASE A4

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 ILE A1018
VAL A1117
MET A1047
PRO A1046
SER A1041
 None
 1.04A 3iw1A-2boaA:
undetectable		 3iw1A-2boaA:
22.48
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.
2cnd NADH-DEPENDENT
NITRATE REDUCTASE

(Zea mays) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 VAL A 230
VAL A 225
ILE A 252
VAL A 221
VAL A 203
 None
 1.25A 3iw1A-2cndA:
undetectable		 3iw1A-2cndA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f51 THIOREDOXIN

(Trichomonas
vaginalis) 		PF00085
(Thioredoxin) 		5 ILE A  48
PHE A  81
ILE A  19
VAL A  26
VAL A  55
 None
 1.18A 3iw1A-2f51A:
undetectable		 3iw1A-2f51A:
15.70
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.
2ffu POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 2

(Homo sapiens) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		5 ILE A 168
VAL A 312
PHE A 311
SER A 355
VAL A 357
 None
 1.25A 3iw1A-2ffuA:
undetectable		 3iw1A-2ffuA:
20.51
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.
2ggq 401AA LONG
HYPOTHETICAL
GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Sulfurisphaera
tokodaii) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		5 VAL A 363
VAL A 393
PRO A 385
ILE A 371
VAL A 389
 None
 1.13A 3iw1A-2ggqA:
undetectable		 3iw1A-2ggqA:
21.74
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.
2hoe N-ACETYLGLUCOSAMINE
KINASE

(Thermotoga
maritima) 		PF00480
(ROK) 		5 ILE A 123
VAL A  82
ILE A 148
VAL A 182
VAL A 180
 None
 1.04A 3iw1A-2hoeA:
undetectable		 3iw1A-2hoeA:
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.
2k24 PUTATIVE
UNCHARACTERIZED
PROTEIN TA0956

(Thermoplasma
acidophilum) 		PF11513
(TA0956) 		5 ILE A  37
MET A  77
ILE A  92
VAL A  68
VAL A  70
 None
 1.24A 3iw1A-2k24A:
undetectable		 3iw1A-2k24A:
14.32
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.
2mxa NDH-1 COMPLEX
SENSORY SUBUNIT CUPS

(Thermosynechococcus
elongatus) 		PF02469
(Fasciclin) 		5 ILE A 116
PRO A  41
ILE A  96
VAL A 106
VAL A 111
 None
 1.25A 3iw1A-2mxaA:
undetectable		 3iw1A-2mxaA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nql ISOMERASE/LACTONIZIN
G ENZYME

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 128
VAL A 101
ILE A  91
VAL A   8
VAL A  55
 None
 1.25A 3iw1A-2nqlA:
undetectable		 3iw1A-2nqlA:
24.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2onu UBIQUITIN-CONJUGATIN
G ENZYME, PUTATIVE

(Plasmodium
falciparum) 		PF00179
(UQ_con) 		5 ILE A  15
PHE A  35
VAL A  33
ILE A  65
VAL A  52
 None
 1.17A 3iw1A-2onuA:
undetectable		 3iw1A-2onuA:
16.87
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.
2qlz TRANSCRIPTION FACTOR
PF0095

(Pyrococcus
furiosus) 		PF12840
(HTH_20) 		5 ILE A 161
GLN A 166
ILE A 210
VAL A 208
VAL A 206
 None
 1.04A 3iw1A-2qlzA:
undetectable		 3iw1A-2qlzA:
19.53
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.
2rmp MUCOROPEPSIN

(Rhizomucor
miehei) 		PF00026
(Asp) 		5 ILE A  80
PHE A 133
ILE A  26
VAL A  46
VAL A 111
 None
 1.16A 3iw1A-2rmpA:
undetectable		 3iw1A-2rmpA:
22.35
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.
2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 272
VAL A 353
PRO A  43
SER A  82
ILE A  96
 NAP  A1372 (-4.2A)
None
None
None
None
 1.22A 3iw1A-2wekA:
undetectable		 3iw1A-2wekA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wp8 EXOSOME COMPLEX
EXONUCLEASE DIS3

(Saccharomyces
cerevisiae) 		PF00773
(RNB)
PF13638
(PIN_4)
PF17215
(Rrp44_S1)
PF17216
(Rrp44_CSD1) 		5 ILE J  99
VAL J 113
ILE J 174
VAL J 117
VAL J 121
 None
 1.04A 3iw1A-2wp8J:
undetectable		 3iw1A-2wp8J:
18.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xn8 PUTATIVE CYTOCHROME
P450 125

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		8 ILE A  97
VAL A 111
GLN A 112
PHE A 114
VAL A 115
SER A 217
ILE A 221
VAL A 267
 None
 1.10A 3iw1A-2xn8A:
68.5		 3iw1A-2xn8A:
96.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xn8 PUTATIVE CYTOCHROME
P450 125

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		10 ILE A  97
VAL A 111
PHE A 114
VAL A 115
MET A 200
PRO A 213
SER A 217
ILE A 221
VAL A 263
VAL A 267
 None
 0.82A 3iw1A-2xn8A:
68.5		 3iw1A-2xn8A:
96.07
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.
2yne GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Plasmodium
vivax) 		PF01233
(NMT)
PF02799
(NMT_C) 		5 MET A 256
PRO A 292
ILE A 286
VAL A 264
VAL A 301
 None
 1.24A 3iw1A-2yneA:
undetectable		 3iw1A-2yneA:
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.
2ywr PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Aquifex
aeolicus) 		PF00551
(Formyl_trans_N) 		5 ILE A  44
VAL A  52
ILE A   4
VAL A   6
VAL A   8
 CO  A 767 (-4.5A)
None
None
None
None
 1.22A 3iw1A-2ywrA:
undetectable		 3iw1A-2ywrA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h07 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE

(Yersinia pestis) 		PF00926
(DHBP_synthase) 		5 ILE A 122
VAL A 137
ILE A  59
VAL A  66
VAL A 171
 None
 1.07A 3iw1A-3h07A:
undetectable		 3iw1A-3h07A:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i6r DIHYDROOROTATE
DEHYDROGENASE
HOMOLOG,
MITOCHONDRIAL

(Plasmodium
falciparum) 		PF01180
(DHO_dh) 		5 ILE A 455
VAL A 223
GLN A 526
PHE A 227
ILE A 234
 None
None
None
J5Z  A1001 (-4.4A)
None
 1.25A 3iw1A-3i6rA:
undetectable		 3iw1A-3i6rA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jua TRANSCRIPTIONAL
ENHANCER FACTOR
TEF-3

(Mus musculus) 		no annotation 5 ILE A 388
PHE A 287
VAL A 289
ILE A 243
VAL A 241
 None
 1.09A 3iw1A-3juaA:
undetectable		 3iw1A-3juaA:
18.43
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.
3kuz PLEXIN-C1

(Homo sapiens) 		PF08337
(Plexin_cytopl) 		5 ILE A1230
VAL A1302
ILE A1220
VAL A1222
VAL A1224
 None
 0.98A 3iw1A-3kuzA:
undetectable		 3iw1A-3kuzA:
15.64
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.
3kya PUTATIVE PHOSPHATASE

(Bacteroides
thetaiotaomicron) 		PF01833
(TIG) 		5 VAL A 400
GLN A 398
VAL A 418
ILE A 493
VAL A 482
 None
 1.17A 3iw1A-3kyaA:
undetectable		 3iw1A-3kyaA:
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.
3ldu PUTATIVE METHYLASE

(Clostridioides
difficile) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 ILE A  81
PHE A 145
VAL A 144
VAL A 111
VAL A 115
 None
 1.20A 3iw1A-3lduA:
undetectable		 3iw1A-3lduA:
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.
3lq1 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Listeria
monocytogenes) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		5 VAL A 439
PHE A 404
SER A 408
ILE A 411
VAL A 484
 None
 1.21A 3iw1A-3lq1A:
undetectable		 3iw1A-3lq1A:
21.81
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.
3lqu 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE

(Salmonella
enterica) 		PF00926
(DHBP_synthase) 		5 ILE A 122
VAL A 137
ILE A  59
VAL A  66
VAL A 171
 None
 1.13A 3iw1A-3lquA:
undetectable		 3iw1A-3lquA:
18.37
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.
3mca ELONGATION FACTOR 1
ALPHA-LIKE PROTEIN

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3) 		5 PHE A 345
VAL A 342
ILE A 318
VAL A 320
VAL A 322
 None
 1.21A 3iw1A-3mcaA:
undetectable		 3iw1A-3mcaA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p42 PREDICTED PROTEIN

(Escherichia
coli) 		PF06251
(Caps_synth_GfcC) 		5 VAL A 210
SER A 216
ILE A 150
VAL A 190
VAL A 198
 None
 1.24A 3iw1A-3p42A:
undetectable		 3iw1A-3p42A:
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.
3pfq PROTEIN KINASE C
BETA TYPE

(Rattus
norvegicus) 		PF00069
(Pkinase)
PF00130
(C1_1)
PF00168
(C2)
PF00433
(Pkinase_C) 		5 ILE A 263
VAL A 271
VAL A 175
ILE A 162
VAL A 242
 None
 1.10A 3iw1A-3pfqA:
undetectable		 3iw1A-3pfqA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qsl PUTATIVE EXPORTED
PROTEIN

(Bordetella
bronchiseptica) 		PF13379
(NMT1_2) 		5 VAL A 153
PRO A 133
ILE A 141
VAL A 120
VAL A 211
 None
 1.25A 3iw1A-3qslA:
undetectable		 3iw1A-3qslA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rj8 CARBOHYDRATE OXIDASE

(Microdochium
nivale) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 VAL A 245
VAL A 359
PRO A 276
ILE A 259
VAL A 233
 None
 1.23A 3iw1A-3rj8A:
undetectable		 3iw1A-3rj8A:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rv2 S-ADENOSYLMETHIONINE
SYNTHASE

(Mycobacterium
marinum) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 VAL A  97
VAL A  55
ILE A  21
VAL A  25
VAL A  29
 None
 1.08A 3iw1A-3rv2A:
undetectable		 3iw1A-3rv2A:
23.11
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.
3see HYPOTHETICAL SUGAR
BINDING PROTEIN

(Bacteroides
thetaiotaomicron) 		PF15425
(DUF4627) 		5 ILE A 225
VAL A 212
VAL A 122
VAL A 175
VAL A 173
 None
 1.24A 3iw1A-3seeA:
undetectable		 3iw1A-3seeA:
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.
3srt MALTOSE
O-ACETYLTRANSFERASE

(Clostridioides
difficile) 		PF12464
(Mac)
PF14602
(Hexapep_2) 		5 ILE A 144
PHE A  81
VAL A 100
ILE A  60
VAL A  76
 None
 1.10A 3iw1A-3srtA:
undetectable		 3iw1A-3srtA:
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.
3zo0 IG GAMMA-2A CHAIN C
REGION, A ALLELE

(Mus musculus) 		PF07654
(C1-set) 		5 ILE A 332
VAL A 273
SER A 304
VAL A 302
VAL A 263
 None
 1.20A 3iw1A-3zo0A:
undetectable		 3iw1A-3zo0A:
17.75
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.
4aj9 CATALASE-3

(Neurospora
crassa) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 GLN A 494
PHE A 496
VAL A 497
SER A 557
ILE A 558
 None
None
None
None
ACT  A1717 (-4.5A)
 1.00A 3iw1A-4aj9A:
undetectable		 3iw1A-4aj9A:
20.37
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.
4b8a POLY(A) RIBONUCLEASE
POP2

(Saccharomyces
cerevisiae) 		PF04857
(CAF1) 		5 ILE B 126
GLN B  80
PHE B 102
SER B  44
ILE B  43
 None
 1.24A 3iw1A-4b8aB:
undetectable		 3iw1A-4b8aB:
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.
4deq NEUROPILIN-1,
VASCULAR ENDOTHELIAL
GROWTH FACTOR A

(Homo sapiens) 		PF00754
(F5_F8_type_C)
PF14554
(VEGF_C) 		5 ILE A  13
VAL A  66
VAL A  63
ILE A  99
VAL A  89
 None
 1.26A 3iw1A-4deqA:
undetectable		 3iw1A-4deqA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4deq NEUROPILIN-1,
VASCULAR ENDOTHELIAL
GROWTH FACTOR A

(Homo sapiens) 		PF00754
(F5_F8_type_C)
PF14554
(VEGF_C) 		5 ILE A  99
PHE A  62
VAL A  63
SER A  91
VAL A 131
 None
 1.20A 3iw1A-4deqA:
undetectable		 3iw1A-4deqA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gnx PUTATIVE
UNCHARACTERIZED
PROTEIN

(Ustilago maydis) 		PF01336
(tRNA_anti-codon) 		5 VAL B  94
GLN B 109
VAL B 107
VAL B  84
VAL B 130
 None
 1.07A 3iw1A-4gnxB:
undetectable		 3iw1A-4gnxB:
16.82
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.
4hxw DNA GYRASE SUBUNIT B

(Enterococcus
faecalis) 		PF02518
(HATPase_c) 		5 ILE A  72
VAL A  80
ILE A  57
VAL A  53
VAL A  49
 None
 1.26A 3iw1A-4hxwA:
undetectable		 3iw1A-4hxwA:
20.23
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.
4kh3 ANTIGEN 43

(Escherichia
coli) 		PF16168
(AIDA) 		5 ILE A 219
VAL A 208
GLN A 225
VAL A 246
VAL A 255
 None
 1.16A 3iw1A-4kh3A:
undetectable		 3iw1A-4kh3A:
22.18
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.
4kyz DESIGNED PROTEIN
OR327

(synthetic
construct) 		no annotation 5 ILE A  10
VAL A   6
MET A  37
ILE A  66
VAL A  70
 None
 1.08A 3iw1A-4kyzA:
undetectable		 3iw1A-4kyzA:
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.
4mzd NISIN LEADER
PEPTIDE-PROCESSING
SERINE PROTEASE NISP

(Lactococcus
lactis) 		PF00082
(Peptidase_S8) 		5 ILE A 450
MET A 234
ILE A 314
VAL A 323
VAL A 237
 None
 1.23A 3iw1A-4mzdA:
undetectable		 3iw1A-4mzdA:
23.11
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.
4nph PROBABLE SECRETION
SYSTEM APPARATUS ATP
SYNTHASE SSAN

(Salmonella
enterica) 		PF00006
(ATP-synt_ab) 		5 ILE A 300
PHE A 231
ILE A 189
VAL A 187
VAL A 185
 None
 1.14A 3iw1A-4nphA:
undetectable		 3iw1A-4nphA:
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.
4q9d BENZOYLFORMATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 PHE A 456
SER A 490
ILE A 489
VAL A 526
VAL A 503
 None
 1.23A 3iw1A-4q9dA:
undetectable		 3iw1A-4q9dA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s24 MODULATOR OF DRUG
ACTIVITY B

(Yersinia pestis) 		PF02525
(Flavodoxin_2) 		5 ILE A 177
PHE A  31
VAL A  27
SER A 122
ILE A  64
 None
 1.17A 3iw1A-4s24A:
undetectable		 3iw1A-4s24A:
16.67
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.
4uss GLUTATHIONYL
HYDROQUINONE
REDUCTASE

(Populus
trichocarpa) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		5 VAL A  73
PRO A  50
SER A  53
VAL A  45
VAL A 129
 None
None
None
None
GSH  A 500 (-3.8A)
 1.12A 3iw1A-4ussA:
undetectable		 3iw1A-4ussA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ymw ABC-TYPE POLAR AMINO
ACID TRANSPORT
SYSTEM, ATPASE
COMPONENT

(Caldanaerobacter
subterraneus) 		no annotation 5 ILE J  60
VAL J  24
ILE J  32
VAL J 190
VAL J 157
 None
 1.04A 3iw1A-4ymwJ:
undetectable		 3iw1A-4ymwJ:
20.14
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.
4ymw ABC-TYPE POLAR AMINO
ACID TRANSPORT
SYSTEM, ATPASE
COMPONENT

(Caldanaerobacter
subterraneus) 		no annotation 5 VAL J   4
VAL J  24
ILE J  32
VAL J 190
VAL J 157
 None
 0.89A 3iw1A-4ymwJ:
undetectable		 3iw1A-4ymwJ:
20.14
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.
4yzt CELLULOSE HYDROLASE

(Bacillus
licheniformis) 		PF00150
(Cellulase)
PF03442
(CBM_X2) 		5 VAL A 504
SER A 512
ILE A 531
VAL A 529
VAL A 527
 None
 1.26A 3iw1A-4yztA:
undetectable		 3iw1A-4yztA:
21.92
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.
4z0h GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
GAPC1, CYTOSOLIC

(Arabidopsis
thaliana) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ILE O   1
VAL O 117
ILE O  11
VAL O  15
VAL O  19
 None
None
NAD  O 401 (-4.1A)
None
None
 0.99A 3iw1A-4z0hO:
undetectable		 3iw1A-4z0hO:
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.
4zpm PROTEIN PCDHAC2

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		5 ILE A 268
VAL A 234
ILE A 313
VAL A 311
VAL A 309
 None
 0.86A 3iw1A-4zpmA:
undetectable		 3iw1A-4zpmA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zvi DNA GYRASE SUBUNIT B

(Escherichia
coli) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 GLN A 275
PRO A 330
SER A 342
VAL A 345
VAL A 325
 None
IOD  A 402 (-4.7A)
None
None
None
 1.22A 3iw1A-4zviA:
undetectable		 3iw1A-4zviA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a0n PROTEIN F2 LIKE
FIBRONECTIN-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		no annotation 5 ILE A  63
VAL A 180
GLN A 179
PHE A 177
SER A 207
 MES  A1256 (-3.7A)
None
None
None
None
 1.14A 3iw1A-5a0nA:
undetectable		 3iw1A-5a0nA:
19.79
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.
5bq1 CARBONIC ANHYDRASE

(Pseudomonas
aeruginosa) 		PF00484
(Pro_CA) 		5 ILE A 153
VAL A 177
VAL A  95
ILE A  81
VAL A  70
 None
 1.17A 3iw1A-5bq1A:
undetectable		 3iw1A-5bq1A:
19.26
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.
5da0 SULPHATE TRANSPORTER

(Deinococcus
geothermalis) 		PF00916
(Sulfate_transp)
PF01740
(STAS) 		5 ILE A 290
GLN A 287
PRO A  37
ILE A 139
VAL A 335
 None
None
None
None
DMU  A 601 (-4.7A)
 1.23A 3iw1A-5da0A:
undetectable		 3iw1A-5da0A:
22.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dqn CYTOCHROME P450
CYP125

(Mycolicibacterium
smegmatis) 		PF00067
(p450) 		6 ILE A  80
GLN A  95
VAL A  98
MET A 183
VAL A 246
VAL A 250
 None
1PE  A 505 (-3.6A)
1PE  A 505 ( 4.6A)
None
None
1PE  A 505 (-4.4A)
 0.86A 3iw1A-5dqnA:
64.2		 3iw1A-5dqnA:
72.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dqn CYTOCHROME P450
CYP125

(Mycolicibacterium
smegmatis) 		PF00067
(p450) 		8 ILE A  80
VAL A  98
MET A 183
PRO A 196
SER A 200
ILE A 204
VAL A 246
VAL A 250
 None
1PE  A 505 ( 4.6A)
None
None
1PE  A 505 ( 4.4A)
None
None
1PE  A 505 (-4.4A)
 0.73A 3iw1A-5dqnA:
64.2		 3iw1A-5dqnA:
72.91
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.
5fku DNA POLYMERASE III
SUBUNIT ALPHA

(Escherichia
coli) 		PF01336
(tRNA_anti-codon)
PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 PHE A 541
VAL A 546
SER A 428
ILE A 522
VAL A 516
 None
 1.16A 3iw1A-5fkuA:
undetectable		 3iw1A-5fkuA:
17.23
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.
5fn4 GAMMA-SECRETASE
SUBUNIT APH-1A
NICASTRIN

(Homo sapiens) 		PF05450
(Nicastrin)
PF06105
(Aph-1) 		5 ILE A 690
VAL C 120
VAL C 176
SER C 113
ILE C 114
 None
 1.19A 3iw1A-5fn4A:
undetectable		 3iw1A-5fn4A:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h8y SULFITE REDUCTASE
[FERREDOXIN],
CHLOROPLASTIC

(Zea mays) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 ILE A 527
PRO A 486
ILE A 511
VAL A 535
VAL A 533
 None
 1.15A 3iw1A-5h8yA:
undetectable		 3iw1A-5h8yA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hsb RNA POLYMERASE

(Andes
orthohantavirus) 		no annotation 5 ILE A 181
VAL A  39
ILE A 109
VAL A 159
VAL A 161
 None
 1.14A 3iw1A-5hsbA:
undetectable		 3iw1A-5hsbA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i39 L-AMINO ACID
DEAMINASE

(Proteus
vulgaris) 		PF01266
(DAO) 		5 VAL A  44
PHE A 208
LYS A 215
ILE A  67
VAL A 127
 None
EDO  A 502 (-4.7A)
None
None
None
 1.23A 3iw1A-5i39A:
undetectable		 3iw1A-5i39A:
23.40
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.
5iof SULPHATE TRANSPORTER

(Deinococcus
geothermalis) 		PF00916
(Sulfate_transp) 		5 ILE A 290
GLN A 287
PRO A  37
ILE A 139
VAL A 335
 None
 1.23A 3iw1A-5iofA:
undetectable		 3iw1A-5iofA:
21.81
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.
5iz1 FRUCTOSE-1,6-BISPHOS
PHATASE

(Physcomitrella
patens) 		PF00316
(FBPase) 		5 PHE A 196
VAL A 184
PRO A 248
ILE A 217
VAL A 242
 None
 1.11A 3iw1A-5iz1A:
undetectable		 3iw1A-5iz1A:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kc8 GLUTAMATE RECEPTOR
IONOTROPIC, DELTA-2

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 ILE A 305
VAL A 331
PHE A  44
VAL A  43
ILE A 119
 None
 1.15A 3iw1A-5kc8A:
undetectable		 3iw1A-5kc8A:
23.76
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.
5kca CEREBELLIN-1,CEREBEL
LIN-1,CEREBELLIN-1,G
LUTAMATE RECEPTOR
IONOTROPIC, DELTA-2

(Homo sapiens) 		PF00386
(C1q)
PF01094
(ANF_receptor) 		5 ILE A 791
VAL A 817
PHE A 530
VAL A 529
ILE A 605
 None
 1.17A 3iw1A-5kcaA:
undetectable		 3iw1A-5kcaA:
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.
5l2e GLUTAMATE RECEPTOR
IONOTROPIC,
DELTA-2,GLUTAMATE
RECEPTOR IONOTROPIC,
DELTA-2

(Rattus
norvegicus) 		PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 ILE A 305
VAL A 331
PHE A  44
VAL A  43
ILE A 119
 None
 1.15A 3iw1A-5l2eA:
undetectable		 3iw1A-5l2eA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l3r CELL DIVISION
PROTEIN FTSY
HOMOLOG,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 ILE B 312
VAL B 340
MET B 299
VAL B 329
VAL B 332
 None
 1.19A 3iw1A-5l3rB:
undetectable		 3iw1A-5l3rB:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lsm FMN-DEPENDENT
NITRONATE
MONOOXYGENASE

(Shewanella
oneidensis) 		PF03060
(NMO) 		5 ILE A  16
VAL A  68
PHE A  70
SER A 149
ILE A 144
 None
 1.13A 3iw1A-5lsmA:
undetectable		 3iw1A-5lsmA:
24.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 VAL A1902
VAL A1948
SER A1998
ILE A1972
VAL A2001
 None
 1.16A 3iw1A-5m59A:
undetectable		 3iw1A-5m59A:
13.45
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.
5mkk MULTIDRUG RESISTANCE
ABC TRANSPORTER
ATP-BINDING AND
PERMEASE PROTEIN

(Thermus
thermophilus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 ILE B  65
VAL B 279
ILE A  54
VAL A 294
VAL A 297
 None
 1.10A 3iw1A-5mkkB:
undetectable		 3iw1A-5mkkB:
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.
5mlg RENIN

(Rattus
norvegicus) 		no annotation 5 ILE A 184
VAL A 140
GLN A 149
MET A 173
ILE A  11
 None
 1.12A 3iw1A-5mlgA:
undetectable		 3iw1A-5mlgA:
11.41
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.
5oj7 NAD-DEPENDENT
PROTEIN DEACYLASE

(Xenopus
tropicalis) 		no annotation 5 VAL A 297
GLN A  45
PHE A  49
PRO A  40
ILE A 310
 None
 1.19A 3iw1A-5oj7A:
undetectable		 3iw1A-5oj7A:
11.74
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.
5xg8 GALACTOSIDE-BINDING
SOLUBLE LECTIN 13

(Homo sapiens) 		no annotation 5 ILE A 102
VAL A  95
VAL A  20
VAL A 124
VAL A  38
 None
 1.09A 3iw1A-5xg8A:
undetectable		 3iw1A-5xg8A:
10.67
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.
5yhu MYELIN REGULATORY
FACTOR

(Homo sapiens) 		no annotation 5 ILE A 438
VAL A 497
ILE A 399
VAL A 397
VAL A 395
 None
 1.18A 3iw1A-5yhuA:
undetectable		 3iw1A-5yhuA:
11.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 5 ILE A 386
VAL A 444
ILE A 405
VAL A 512
VAL A 558
 None
 0.95A 3iw1A-5z9sA:
undetectable		 3iw1A-5z9sA:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zhu MYELIN REGULATORY
FACTOR

(Homo sapiens) 		no annotation 5 ILE A 438
VAL A 497
ILE A 399
VAL A 397
VAL A 395
 None
 1.20A 3iw1A-5zhuA:
undetectable		 3iw1A-5zhuA:
8.78
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.
6cet GATOR COMPLEX
PROTEIN DEPDC5

(Homo sapiens) 		no annotation 5 GLN D 372
VAL D 377
MET D 369
VAL D 340
VAL D 367
 None
 1.15A 3iw1A-6cetD:
undetectable		 3iw1A-6cetD:
11.92
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.
6dfp VCA0883

(Vibrio cholerae) 		no annotation 5 ILE A 186
VAL A 284
GLN A  28
MET A 206
ILE A  65
 None
 1.19A 3iw1A-6dfpA:
undetectable		 3iw1A-6dfpA:
11.06