SIMILAR PATTERNS OF AMINO ACIDS FOR 3NDI_A_SAMA601

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.
1ej8 LYS7

(Saccharomyces
cerevisiae) 		PF00080
(Sod_Cu) 		5 GLU A 158
ILE A 157
PHE A 153
THR A 174
ILE A 118
 None
 1.04A 3ndiA-1ej8A:
undetectable		 3ndiA-1ej8A:
16.11
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.
1js4 ENDO/EXOCELLULASE E4

(Thermobifida
fusca) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		5 PHE A 499
ILE A 581
PHE A 578
ALA A 586
ILE A 479
 None
 1.13A 3ndiA-1js4A:
undetectable		 3ndiA-1js4A:
21.07
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.
1jyl CTP:PHOSPHOCHOLINE
CYTIDYLYLTRANSFERASE

(Streptococcus
pneumoniae) 		PF00483
(NTP_transferase) 		5 TYR A 109
GLU A  44
ILE A  43
PHE A  65
ILE A  10
 None
 1.24A 3ndiA-1jylA:
2.2		 3ndiA-1jylA:
22.47
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.
1lw3 MYOTUBULARIN-RELATED
PROTEIN 2

(Homo sapiens) 		PF02893
(GRAM)
PF06602
(Myotub-related) 		5 TYR A 209
ILE A 544
PHE A 500
PHE A 551
ILE A 508
 None
 1.31A 3ndiA-1lw3A:
undetectable		 3ndiA-1lw3A:
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.
1mdw CALPAIN II,
CATALYTIC SUBUNIT

(Rattus
norvegicus) 		PF00648
(Peptidase_C2) 		5 PHE A 331
TYR A 335
GLU A 339
ILE A 340
ILE A 228
 None
 1.36A 3ndiA-1mdwA:
undetectable		 3ndiA-1mdwA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1now BETA-HEXOSAMINIDASE
BETA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		5 PHE A 386
ILE A 367
PHE A 380
PHE A 376
THR A 325
 None
 1.33A 3ndiA-1nowA:
undetectable		 3ndiA-1nowA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ouu HEMOGLOBIN I

(Oncorhynchus
mykiss) 		PF00042
(Globin) 		5 GLU B   7
ILE B  11
PHE B 133
ALA B   6
THR B  10
 None
 1.22A 3ndiA-1ouuB:
undetectable		 3ndiA-1ouuB:
16.18
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.
1p2f RESPONSE REGULATOR

(Thermotoga
maritima) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		5 GLU A 152
ILE A 153
PHE A 156
PHE A 215
ILE A 191
 None
 1.32A 3ndiA-1p2fA:
2.1		 3ndiA-1p2fA:
22.06
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.
1pgv TROPOMODULIN TMD-1

(Caenorhabditis
elegans) 		no annotation 5 GLU A 281
ILE A 254
ALA A 276
THR A 275
ILE A 243
 None
 1.35A 3ndiA-1pgvA:
undetectable		 3ndiA-1pgvA:
19.81
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.
1q98 THIOL PEROXIDASE

(Haemophilus
influenzae) 		PF08534
(Redoxin) 		5 PHE A  66
ILE A  77
PHE A  41
ALA A  70
THR A  76
 None
 1.38A 3ndiA-1q98A:
undetectable		 3ndiA-1q98A:
18.78
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.
1qhg ATP-DEPENDENT
HELICASE PCRA

(Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 TYR A 213
ILE A 196
PHE A  92
THR A 199
ILE A 200
 None
 1.28A 3ndiA-1qhgA:
2.9		 3ndiA-1qhgA:
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.
1qhh PROTEIN (PCRA
(SUBUNIT))
PROTEIN (PCRA
(SUBUNIT))

(Geobacillus
stearothermophilus;
Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 TYR B 213
ILE B 196
PHE A  92
THR B 199
ILE B 200
 None
 1.28A 3ndiA-1qhhB:
undetectable		 3ndiA-1qhhB:
22.02
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.
1r6b CLPA PROTEIN

(Escherichia
coli) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 GLU X 631
ILE X 632
PHE X 636
ALA X 628
ILE X 647
 None
 1.08A 3ndiA-1r6bX:
undetectable		 3ndiA-1r6bX:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tve HOMOSERINE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 TYR A 102
ILE A 153
ALA A 144
THR A 145
ILE A 226
 None
 1.10A 3ndiA-1tveA:
undetectable		 3ndiA-1tveA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u2x ADP-SPECIFIC
PHOSPHOFRUCTOKINASE

(Pyrococcus
horikoshii) 		PF04587
(ADP_PFK_GK) 		5 TYR A 156
ILE A 123
ALA A  33
THR A  32
ILE A  30
 None
 1.20A 3ndiA-1u2xA:
3.5		 3ndiA-1u2xA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zsq MYOTUBULARIN-RELATED
PROTEIN 2

(Homo sapiens) 		PF02893
(GRAM)
PF06602
(Myotub-related) 		5 TYR A 209
ILE A 544
PHE A 500
PHE A 551
ILE A 508
 None
 1.31A 3ndiA-1zsqA:
undetectable		 3ndiA-1zsqA:
21.78
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.
2c11 MEMBRANE COPPER
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 TYR A 603
GLU A 486
ILE A 487
PHE A 526
ILE A 363
 None
 1.20A 3ndiA-2c11A:
undetectable		 3ndiA-2c11A:
21.50
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.
2gai DNA TOPOISOMERASE I

(Thermotoga
maritima) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 GLU A 274
ILE A 114
ALA A  15
THR A  19
ILE A  23
 None
 1.32A 3ndiA-2gaiA:
undetectable		 3ndiA-2gaiA:
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.
2gsl HYPOTHETICAL PROTEIN

(Fusobacterium
nucleatum) 		PF00636
(Ribonuclease_3) 		5 PHE A  37
TYR A  39
ILE A  30
ALA A  50
ILE A 126
 None
 1.37A 3ndiA-2gslA:
undetectable		 3ndiA-2gslA:
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.
2iae SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
56 KDA REGULATORY
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF01603
(B56) 		5 PHE B 246
GLU B 226
ILE B 227
ALA B 222
ILE B 204
 None
 1.32A 3ndiA-2iaeB:
undetectable		 3ndiA-2iaeB:
19.64
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.
2ipi ACLACINOMYCIN
OXIDOREDUCTASE
(AKNOX)

(Streptomyces
galilaeus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ILE A 429
PHE A 430
ALA A 359
THR A 360
ILE A 425
 None
 1.18A 3ndiA-2ipiA:
undetectable		 3ndiA-2ipiA:
23.73
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.
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 TYR A  10
PHE A  51
ILE A 153
PHE A 188
ILE A  38
 None
 1.30A 3ndiA-2nz9A:
undetectable		 3ndiA-2nz9A:
14.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pun METHYLTHIORIBOSE
KINASE

(Bacillus
subtilis) 		PF01636
(APH) 		5 PHE A 296
ILE A 230
PHE A 168
PHE A 255
THR A 228
 None
 1.34A 3ndiA-2punA:
undetectable		 3ndiA-2punA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qjv UNCHARACTERIZED
IOLB-LIKE PROTEIN

(Salmonella
enterica) 		PF04962
(KduI) 		5 PHE A 191
TYR A 240
ALA A 163
THR A 232
ILE A 233
 None
 1.27A 3ndiA-2qjvA:
undetectable		 3ndiA-2qjvA:
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.
2r4i UNCHARACTERIZED
PROTEIN

(Cytophaga
hutchinsonii) 		PF14534
(DUF4440) 		5 TYR A  68
GLU A  84
ILE A  85
PHE A  98
ILE A  18
 CIT  A 123 (-4.9A)
None
None
IPA  A 126 ( 4.1A)
None
 1.15A 3ndiA-2r4iA:
undetectable		 3ndiA-2r4iA:
19.35
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.
2wgr GLUTATHIONE
PEROXIDASE

(Schistosoma
mansoni) 		PF00255
(GSHPx) 		5 GLU A  83
ILE A  19
PHE A 101
PHE A  98
ALA A  84
 None
 1.31A 3ndiA-2wgrA:
undetectable		 3ndiA-2wgrA:
16.91
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.
2xn8 PUTATIVE CYTOCHROME
P450 125

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 PHE A 166
GLU A 157
ILE A 154
ALA A 156
ILE A 390
 None
 1.33A 3ndiA-2xn8A:
undetectable		 3ndiA-2xn8A:
21.87
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.
2y3a PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B) 		5 ILE A 962
PHE A 973
ALA A 900
THR A 896
ILE A 892
 None
 1.20A 3ndiA-2y3aA:
undetectable		 3ndiA-2y3aA:
18.09
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.
2zbv UNCHARACTERIZED
CONSERVED PROTEIN

(Thermotoga
maritima) 		PF01887
(SAM_adeno_trans) 		5 GLU A 173
ILE A 259
ALA A 175
THR A 185
ILE A 240
 None
 1.16A 3ndiA-2zbvA:
undetectable		 3ndiA-2zbvA:
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.
3dp9 MTA/SAH NUCLEOSIDASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		5 PHE A 186
TYR A  66
ILE A 179
PHE A 190
THR A  59
 None
 1.16A 3ndiA-3dp9A:
undetectable		 3ndiA-3dp9A:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dtg BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Mycolicibacterium
smegmatis) 		PF01063
(Aminotran_4) 		5 GLU A 305
ILE A 306
PHE A 248
ALA A 303
ILE A 333
 None
 1.06A 3ndiA-3dtgA:
undetectable		 3ndiA-3dtgA:
23.67
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.
3eaf ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN

(Aeropyrum
pernix) 		PF13458
(Peripla_BP_6) 		5 TYR A 390
ILE A 395
PHE A 410
PHE A 175
ILE A 295
 None
 1.35A 3ndiA-3eafA:
3.7		 3ndiA-3eafA:
22.67
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.
3ebj POLYMERASE ACIDIC
PROTEIN

(Influenza A
virus) 		PF00603
(Flu_PA) 		5 TYR A 110
ILE A 138
PHE A 105
THR A 143
ILE A 145
 None
 1.26A 3ndiA-3ebjA:
undetectable		 3ndiA-3ebjA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fed GLUTAMATE
CARBOXYPEPTIDASE III

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 TYR A 166
GLU A 293
ILE A 294
ALA A 292
ILE A 120
 None
 1.21A 3ndiA-3fedA:
undetectable		 3ndiA-3fedA:
21.47
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.
3fef PUTATIVE GLUCOSIDASE
LPLD,
ALPHA-GALACTURONIDAS
E

(Bacillus
subtilis) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 ILE A 269
PHE A 263
PHE A 231
ALA A 272
THR A 179
 None
 1.23A 3ndiA-3fefA:
2.2		 3ndiA-3fefA:
25.05
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.
3grf ORNITHINE
CARBAMOYLTRANSFERASE

(Giardia
intestinalis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 TYR A  74
ILE A 125
PHE A 320
ALA A 105
ILE A 102
 None
 1.35A 3ndiA-3grfA:
2.9		 3ndiA-3grfA:
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.
3ham AMINOGLYCOSIDE
PHOSPHOTRANSFERASE

(Enterococcus
faecium) 		PF01636
(APH) 		5 PHE A 234
ILE A 199
PHE A 206
ALA A 195
ILE A 209
 None
 1.29A 3ndiA-3hamA:
undetectable		 3ndiA-3hamA:
21.26
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.
3hnp OXIDOREDUCTASE

(Bacillus cereus) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLU A 324
ILE A 184
ALA A 325
THR A 327
ILE A 331
 None
 1.14A 3ndiA-3hnpA:
3.4		 3ndiA-3hnpA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Trypanosoma
brucei) 		PF00579
(tRNA-synt_1b) 		5 PHE A 219
ILE A 250
PHE A  54
ALA A 248
ILE A  29
 None
 1.32A 3ndiA-3i05A:
undetectable		 3ndiA-3i05A:
21.86
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.
3i3a ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Leptospira
interrogans) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 PHE A  57
GLU A  28
ILE A  27
ALA A  47
ILE A  33
 None
 1.07A 3ndiA-3i3aA:
undetectable		 3ndiA-3i3aA:
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.
3icq EXPORTIN-T

(Schizosaccharomyces
pombe) 		PF08389
(Xpo1) 		5 ILE T 674
PHE T 677
ALA T 718
THR T 722
ILE T 726
 None
 1.36A 3ndiA-3icqT:
undetectable		 3ndiA-3icqT:
16.75
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.
3k2i ACYL-COENZYME A
THIOESTERASE 4

(Homo sapiens) 		PF04775
(Bile_Hydr_Trans)
PF08840
(BAAT_C) 		5 ILE A 160
PHE A 183
PHE A 406
ALA A 187
ILE A 226
 None
 1.22A 3ndiA-3k2iA:
2.4		 3ndiA-3k2iA:
24.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kdn RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Thermococcus
kodakarensis) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 GLU A  49
ILE A 112
PHE A 113
ALA A  48
ILE A 108
 None
 1.35A 3ndiA-3kdnA:
undetectable		 3ndiA-3kdnA:
22.92
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.
3kya PUTATIVE PHOSPHATASE

(Bacteroides
thetaiotaomicron) 		PF01833
(TIG) 		5 ILE A 337
PHE A 348
ALA A 274
THR A 275
ILE A 339
 None
 1.21A 3ndiA-3kyaA:
undetectable		 3ndiA-3kyaA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3poy NEUREXIN-1-ALPHA

(Bos taurus) 		PF00008
(EGF)
PF02210
(Laminin_G_2) 		5 PHE A 531
TYR A 599
ILE A 612
PHE A 603
ILE A 566
 None
 1.29A 3ndiA-3poyA:
undetectable		 3ndiA-3poyA:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q3w 3-ISOPROPYLMALATE
DEHYDRATASE SMALL
SUBUNIT

(Campylobacter
jejuni) 		PF00694
(Aconitase_C) 		5 PHE A 161
GLU A 144
ILE A 143
PHE A 154
ILE A 101
 None
 1.38A 3ndiA-3q3wA:
undetectable		 3ndiA-3q3wA:
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.
3qcw NEUREXIN-1-ALPHA

(Bos taurus) 		PF00008
(EGF)
PF02210
(Laminin_G_2) 		5 PHE A 515
TYR A 583
ILE A 596
PHE A 587
ILE A 550
 None
 1.30A 3ndiA-3qcwA:
undetectable		 3ndiA-3qcwA:
15.38
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.
3r11 ENZYME OF ENOLASE
SUPERFAMILY

(Francisella
philomiragia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A  68
PHE A  72
ALA A  35
THR A  10
ILE A   8
 None
None
None
SO4  A 381 (-3.4A)
None
 1.34A 3ndiA-3r11A:
2.2		 3ndiA-3r11A:
22.32
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.
3r7w GTP-BINDING PROTEIN
GTR2

(Saccharomyces
cerevisiae) 		PF04670
(Gtr1_RagA) 		5 PHE B 206
TYR B 215
GLU B 233
PHE B 234
ILE B 295
 None
 1.38A 3ndiA-3r7wB:
undetectable		 3ndiA-3r7wB:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT A
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT J
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT K

(Escherichia
coli;
Escherichia
coli;
Escherichia
coli) 		PF00507
(Oxidored_q4)
no annotation
no annotation 		5 TYR J  59
ILE A  77
PHE A  75
PHE A  74
ALA K  71
 None
 1.22A 3ndiA-3rkoJ:
undetectable		 3ndiA-3rkoJ:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tsy FUSION PROTEIN
4-COUMARATE--COA
LIGASE 1,
RESVERATROL SYNTHASE

(Arabidopsis
thaliana;
Vitis vinifera) 		PF00195
(Chal_sti_synt_N)
PF00501
(AMP-binding)
PF02797
(Chal_sti_synt_C)
PF13193
(AMP-binding_C) 		5 ILE A 188
PHE A 126
ALA A 168
THR A 166
ILE A 165
 None
 1.37A 3ndiA-3tsyA:
3.7		 3ndiA-3tsyA:
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.
3woz CLIP-ASSOCIATING
PROTEIN 2

(Mus musculus) 		no annotation 5 PHE A 848
GLU A 793
ILE A 792
PHE A 804
ALA A 832
 None
 1.36A 3ndiA-3wozA:
undetectable		 3ndiA-3wozA:
20.05
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.
3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1

(Homo sapiens) 		PF00753
(Lactamase_B)
PF12706
(Lactamase_B_2) 		5 PHE A 168
GLU A  92
ILE A  91
PHE A 116
THR A  56
 None
 1.17A 3ndiA-3zwfA:
undetectable		 3ndiA-3zwfA:
22.44
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.
4a5w COMPLEMENT C5

(Homo sapiens) 		PF00207
(A2M)
PF01759
(NTR)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2) 		5 PHE A 269
GLU A 341
ILE A 342
ALA A 340
ILE A 248
 None
 1.20A 3ndiA-4a5wA:
undetectable		 3ndiA-4a5wA:
13.74
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.
4c1s GLYCOSIDE HYDROLASE
FAMILY 76
MANNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF03663
(Glyco_hydro_76) 		5 PHE A 454
TYR A 514
ILE A 448
ALA A 443
THR A 447
 EDO  A1530 ( 4.7A)
None
None
EDO  A1526 (-3.7A)
None
 1.31A 3ndiA-4c1sA:
undetectable		 3ndiA-4c1sA:
20.76
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.
4e0f RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA

(Brucella
abortus) 		PF00677
(Lum_binding) 		5 GLU A 186
ILE A 187
PHE A 136
ALA A 144
ILE A 137
 None
 1.31A 3ndiA-4e0fA:
undetectable		 3ndiA-4e0fA:
20.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e2z TCAB9

(Micromonospora
chalcea) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		12 PHE A  72
TYR A  76
TYR A  78
PHE A  90
GLU A 111
ILE A 112
PHE A 133
PHE A 154
PHE A 155
ALA A 176
THR A 178
ILE A 182
 SAH  A 503 (-3.6A)
SAH  A 503 ( 4.4A)
JHZ  A 504 (-3.2A)
SAH  A 503 (-4.5A)
SAH  A 503 ( 4.8A)
SAH  A 503 (-4.5A)
None
SAH  A 503 (-4.9A)
None
SAH  A 503 (-3.5A)
SAH  A 503 (-3.3A)
SAH  A 503 (-4.4A)
 0.16A 3ndiA-4e2zA:
70.4		 3ndiA-4e2zA:
99.76
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.
4g6v ADHESIN/HEMOLYSIN
CDII

(Burkholderia
pseudomallei;
Burkholderia
pseudomallei) 		no annotation
no annotation 		5 PHE B  61
PHE B  45
ALA A 236
THR A 237
ILE B  50
 None
 1.30A 3ndiA-4g6vB:
undetectable		 3ndiA-4g6vB:
14.98
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.
4gyb COPPER OXIDASE

(Streptomyces
lividans) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 TYR A 155
ILE A 193
PHE A 195
THR A 192
ILE A 221
 None
None
None
CL  A 406 (-4.5A)
None
 1.33A 3ndiA-4gybA:
undetectable		 3ndiA-4gybA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4isb LONG CHAIN FATTY
ACID COA LIGASE
FADD10

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLU A 106
ILE A 105
PHE A 108
ALA A 133
ILE A  72
 None
 1.36A 3ndiA-4isbA:
2.7		 3ndiA-4isbA:
23.09
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.
4lde LYSOZYME, BETA-2
ADRENERGIC RECEPTOR

(Homo sapiens;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 GLU A1122
ILE A1121
PHE A1208
PHE A1289
ALA A1119
 None
None
None
P0G  A1401 ( 4.7A)
None
 1.09A 3ndiA-4ldeA:
undetectable		 3ndiA-4ldeA:
20.83
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.
4lua N-ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF13420
(Acetyltransf_4) 		5 TYR A  85
GLU A 154
ILE A 119
PHE A 135
THR A  27
 None
 1.15A 3ndiA-4luaA:
1.7		 3ndiA-4luaA:
17.39
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.
4m5o POLYMERASE PA

(Influenza A
virus) 		PF00603
(Flu_PA) 		5 TYR A 110
ILE A 138
PHE A 105
THR A 143
ILE A 145
 None
 1.31A 3ndiA-4m5oA:
undetectable		 3ndiA-4m5oA:
19.95
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.
4o0l NADPH-DEPENDENT
3-QUINUCLIDINONE
REDUCTASE

(Rhodotorula
mucilaginosa) 		PF13561
(adh_short_C2) 		5 TYR A 181
ILE A 208
ALA A 163
THR A 164
ILE A  40
 NDP  A 300 (-4.8A)
None
None
NDP  A 300 (-4.0A)
NDP  A 300 (-3.8A)
 1.30A 3ndiA-4o0lA:
undetectable		 3ndiA-4o0lA:
20.73
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.
4o4x TBPB

(Glaesserella
parasuis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		5 PHE A 250
TYR A 248
ILE A  65
PHE A 152
PHE A 282
 None
 1.37A 3ndiA-4o4xA:
undetectable		 3ndiA-4o4xA:
21.96
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.
4p7h MYOSIN-7,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Homo sapiens) 		PF00063
(Myosin_head)
PF01353
(GFP)
PF02736
(Myosin_N) 		5 PHE A 230
GLU A 328
PHE A 286
ALA A 331
ILE A 289
 None
 1.24A 3ndiA-4p7hA:
undetectable		 3ndiA-4p7hA:
16.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rvh D-MYCAROSE
3-C-METHYLTRANSFERAS
E

(Streptomyces
argillaceus) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		7 TYR A  77
TYR A  79
GLU A 112
ILE A 113
PHE A 155
PHE A 156
ILE A 183
 SAH  A 502 (-4.3A)
3YN  A 503 (-3.4A)
None
SAH  A 502 (-4.7A)
SAH  A 502 (-4.8A)
None
SAH  A 502 (-4.2A)
 0.50A 3ndiA-4rvhA:
54.3		 3ndiA-4rvhA:
39.91
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.
4tlh ETHANOLAMINE
UTILIZATION PROTEIN
EUTL

(Clostridium
perfringens) 		PF00936
(BMC) 		5 TYR A 134
PHE A 112
ILE A 106
THR A  47
ILE A  39
 None
 1.37A 3ndiA-4tlhA:
undetectable		 3ndiA-4tlhA:
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.
4wwv AMINOPEPTIDASE FROM
FAMILY M42

(Desulfurococcus
amylolyticus) 		PF05343
(Peptidase_M42) 		5 TYR A 341
GLU A 352
ILE A 351
ALA A 349
ILE A  67
 None
 1.35A 3ndiA-4wwvA:
undetectable		 3ndiA-4wwvA:
24.50
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.
5aa5 NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases) 		5 PHE C 550
PHE C 570
ILE C 563
ALA C 543
THR C 547
 None
 0.98A 3ndiA-5aa5C:
undetectable		 3ndiA-5aa5C:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aa5 NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases) 		5 PHE C 550
TYR C 259
PHE C 570
ALA C 543
THR C 547
 None
 1.27A 3ndiA-5aa5C:
undetectable		 3ndiA-5aa5C:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b7c S-CRYSTALLIN OCTVUS4

(Octopus
vulgaris) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 PHE A  76
GLU A  16
ILE A  17
PHE A  78
ALA A  15
 None
 1.27A 3ndiA-5b7cA:
undetectable		 3ndiA-5b7cA:
18.89
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.
5c16 MYOTUBULARIN-RELATED
PROTEIN 1

(Homo sapiens) 		PF02893
(GRAM)
PF06602
(Myotub-related) 		5 TYR A 230
ILE A 565
PHE A 521
PHE A 572
ILE A 529
 None
 1.30A 3ndiA-5c16A:
undetectable		 3ndiA-5c16A:
21.56
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 PHE A1445
ILE A1366
PHE A1370
PHE A1374
THR A1394
 None
 1.25A 3ndiA-5dotA:
undetectable		 3ndiA-5dotA:
14.81
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.
5eul PROTEIN TRANSLOCASE
SUBUNIT SECY

(Geobacillus
thermodenitrificans) 		PF00344
(SecY) 		5 TYR Y 365
PHE Y 374
ALA Y 327
THR Y 323
ILE Y 319
 None
 1.33A 3ndiA-5eulY:
undetectable		 3ndiA-5eulY:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h67 CHROMOSOME PARTITION
PROTEIN SMC
CHROMOSOME PARTITION
PROTEIN SMC

(Bacillus
subtilis;
Bacillus
subtilis) 		PF02463
(SMC_N)
PF02463
(SMC_N) 		5 ILE B1145
PHE B1113
PHE A   2
ALA A  28
THR A  27
 None
 1.32A 3ndiA-5h67B:
undetectable		 3ndiA-5h67B:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h68 CHROMOSOME PARTITION
PROTEIN SMC

(Geobacillus
stearothermophilus) 		PF02463
(SMC_N) 		5 ILE A1145
PHE A1113
PHE A   2
ALA A  28
THR A  27
 None
 1.34A 3ndiA-5h68A:
undetectable		 3ndiA-5h68A:
23.92
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.
5jja SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
56 KDA REGULATORY
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF01603
(B56) 		5 PHE A 246
GLU A 226
ILE A 227
ALA A 222
ILE A 204
 PHE  A 246 ( 1.3A)
GLU  A 226 ( 0.5A)
ILE  A 227 ( 0.6A)
ALA  A 222 ( 0.0A)
ILE  A 204 ( 0.7A)
 1.26A 3ndiA-5jjaA:
undetectable		 3ndiA-5jjaA:
21.56
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.
5k3j ACYL-COENZYME A
OXIDASE

(Caenorhabditis
elegans) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		5 TYR A 350
PHE A 303
ALA A 311
THR A 309
ILE A 610
 None
 1.30A 3ndiA-5k3jA:
undetectable		 3ndiA-5k3jA:
21.36
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.
5mjv CAPSID SUBUNIT VP1
CAPSID SUBUNIT VP3

(Parechovirus A;
Parechovirus A) 		no annotation
no annotation 		5 TYR A  49
GLU B 188
ILE B 189
THR B 190
ILE B 175
 None
 1.37A 3ndiA-5mjvA:
undetectable		 3ndiA-5mjvA:
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.
5mkm TWO-DOMAIN LACCASE

(Streptomyces
griseoflavus) 		no annotation 5 TYR A 156
ILE A 194
PHE A 196
THR A 193
ILE A 222
 None
 1.34A 3ndiA-5mkmA:
undetectable		 3ndiA-5mkmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n4a INTRAFLAGELLAR
TRANSPORT PROTEIN 80

(Chlamydomonas
reinhardtii) 		no annotation 5 ILE A 396
PHE A 385
ALA A 447
THR A 446
ILE A 429
 None
 1.16A 3ndiA-5n4aA:
undetectable		 3ndiA-5n4aA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nvr TELOMERE LENGTH
REGULATOR PROTEIN
RIF1

(Saccharomyces
cerevisiae) 		PF12231
(Rif1_N) 		5 PHE A 368
GLU A 269
ILE A 268
PHE A 364
ILE A 317
 None
 1.36A 3ndiA-5nvrA:
undetectable		 3ndiA-5nvrA:
17.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t67 SUGAR 3-C-METHYL
TRANSFERASE

(Actinomadura
kijaniata) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		12 PHE A  72
TYR A  76
TYR A  78
PHE A  90
GLU A 111
ILE A 112
PHE A 133
PHE A 154
PHE A 155
ALA A 176
THR A 178
ILE A 182
 SAH  A 502 (-3.6A)
SAH  A 502 (-4.4A)
JHZ  A 503 (-3.2A)
SAH  A 502 (-4.5A)
SAH  A 502 ( 4.8A)
SAH  A 502 (-4.4A)
None
SAH  A 502 (-4.9A)
None
SAH  A 502 (-3.5A)
SAH  A 502 (-3.2A)
SAH  A 502 (-4.4A)
 0.26A 3ndiA-5t67A:
66.5		 3ndiA-5t67A:
77.40
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.
5tnu DNA-DEPENDENT ATPASE
XPBII

(Sulfurisphaera
tokodaii) 		no annotation 5 TYR A 195
ILE A 149
ALA A 110
THR A 111
ILE A 113
 None
 1.18A 3ndiA-5tnuA:
3.4		 3ndiA-5tnuA:
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.
5u3f BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF01063
(Aminotran_4) 		5 GLU A 305
ILE A 306
PHE A 248
ALA A 303
ILE A 333
 None
 1.06A 3ndiA-5u3fA:
undetectable		 3ndiA-5u3fA:
22.74
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.
5u8s CELL DIVISION
CONTROL PROTEIN 45

(Saccharomyces
cerevisiae) 		PF02724
(CDC45) 		5 GLU E  97
ILE E  98
PHE E 116
ALA E  94
ILE E 139
 None
 1.28A 3ndiA-5u8sE:
3.2		 3ndiA-5u8sE:
21.05
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.
5uja BOVINE MULTIDRUG
RESISTANCE PROTEIN 1
(MRP1),MULTIDRUG
RESISTANCE-ASSOCIATE
D PROTEIN 1

(Bos taurus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 GLU A1349
ILE A1350
PHE A1294
ALA A1358
ILE A1352
 None
 1.37A 3ndiA-5ujaA:
undetectable		 3ndiA-5ujaA:
13.97
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.
5uzh NAFOA.00085.B

(Naegleria
fowleri) 		PF16363
(GDP_Man_Dehyd) 		5 GLU A 113
ILE A 114
PHE A 159
ALA A  36
ILE A 106
 None
 1.20A 3ndiA-5uzhA:
4.8		 3ndiA-5uzhA:
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.
5wu7 UNCHARACTERIZED
PROTEIN

(Pyrococcus
horikoshii) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		5 PHE A 329
ILE A 349
ALA A 352
THR A   6
ILE A 387
 None
 1.30A 3ndiA-5wu7A:
undetectable		 3ndiA-5wu7A:
20.47
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.
5wuj FLAGELLAR M-RING
PROTEIN
FLAGELLAR MOTOR
SWITCH PROTEIN FLIG

(Helicobacter
pylori;
Helicobacter
pylori) 		no annotation
no annotation 		5 ILE B  81
PHE B  71
PHE B  72
THR A 540
ILE A 537
 None
 1.04A 3ndiA-5wujB:
undetectable		 3ndiA-5wujB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z9a CHORISMATE SYNTHASE

(Pseudomonas
aeruginosa) 		no annotation 5 TYR A 155
GLU A 243
ILE A 244
ALA A 246
ILE A 285
 None
 1.01A 3ndiA-5z9aA:
undetectable		 3ndiA-5z9aA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6aso U4/U6
SNRNA-ASSOCIATED-SPL
ICING FACTOR PRP24

(Saccharomyces
cerevisiae) 		no annotation 5 PHE A  61
TYR A  60
PHE A  87
THR A  98
ILE A  97
 None
 1.25A 3ndiA-6asoA:
undetectable		 3ndiA-6asoA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b9g ATLASTIN-1

(Homo sapiens) 		no annotation 5 TYR B 336
TYR B 196
PHE B 151
ILE B 123
ILE B 170
 None
 1.30A 3ndiA-6b9gB:
undetectable		 3ndiA-6b9gB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6chk TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Lactobacillus
paracasei) 		no annotation 5 PHE A  73
ILE A  81
PHE A  78
PHE A  74
ALA A 301
 None
 1.38A 3ndiA-6chkA:
2.6		 3ndiA-6chkA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fsa -

(-) 		no annotation 5 PHE A 230
GLU A 328
PHE A 286
ALA A 331
ILE A 289
 None
 1.32A 3ndiA-6fsaA:
undetectable		 3ndiA-6fsaA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g1k TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY C
MEMBER 4A

(Danio rerio) 		no annotation 5 PHE A 366
PHE A 637
ALA A 498
THR A 497
ILE A 507
 None
None
Y01  A1001 (-3.8A)
None
None
 1.25A 3ndiA-6g1kA:
undetectable		 3ndiA-6g1kA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g1k TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY C
MEMBER 4A

(Danio rerio) 		no annotation 5 PHE A 366
PHE A 637
ALA A 498
THR A 497
ILE A 507
 None
None
Y01  A1001 (-3.8A)
None
None
 1.37A 3ndiA-6g1kA:
undetectable		 3ndiA-6g1kA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gpl GDP-MANNOSE 4,6
DEHYDRATASE

(Homo sapiens) 		no annotation 5 GLU B 104
ILE B 105
PHE B 150
ALA B  26
ILE B  97
 None
 1.21A 3ndiA-6gplB:
2.0		 3ndiA-6gplB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6h7x -

(-) 		no annotation 5 PHE A 100
ILE A 298
PHE A 311
ALA A 102
ILE A 108
 None
 1.36A 3ndiA-6h7xA:
undetectable		 3ndiA-6h7xA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xr4 PUTATIVE CITRATE
LYASE ALPHA
CHAIN/CITRATE-ACP
TRANSFERASE

(Salmonella
enterica) 		PF04223
(CitF) 		5 SER A 324
GLY A 185
GLU A 341
SER A 213
HIS A  64
 None
 1.47A 3ndiA-1xr4A:
1.6		 3ndiA-1xr4A:
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.
2uvf EXOPOLYGALACTURONASE

(Yersinia
enterocolitica) 		PF00295
(Glyco_hydro_28)
PF12708
(Pectate_lyase_3) 		5 GLY A 346
ASN A 368
PRO A  90
SER A  89
HIS A 372
 None
None
SO4  A1611 (-3.6A)
None
None
 1.45A 3ndiA-2uvfA:
0.4		 3ndiA-2uvfA:
22.19
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.
3ege PUTATIVE
METHYLTRANSFERASE
FROM ANTIBIOTIC
BIOSYNTHESIS PATHWAY

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 GLY A  41
GLU A  62
PRO A  63
SER A  64
HIS A 105
 EDO  A 261 (-3.2A)
EDO  A 261 (-3.0A)
EDO  A 261 ( 4.9A)
None
EDO  A 261 ( 4.6A)
 0.94A 3ndiA-3egeA:
11.6		 3ndiA-3egeA:
23.02
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.
3fcj NITROALKANE OXIDASE

(Fusarium
oxysporum) 		PF00441
(Acyl-CoA_dh_1)
PF02771
(Acyl-CoA_dh_N) 		5 GLY A 230
GLU A 231
PRO A 243
SER A 241
TYR A 226
 None
 1.27A 3ndiA-3fcjA:
0.0		 3ndiA-3fcjA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fy4 6-4 PHOTOLYASE

(Arabidopsis
thaliana) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 GLY A  14
GLU A 110
SER A 140
HIS A  18
TYR A 182
 None
 1.16A 3ndiA-3fy4A:
2.6		 3ndiA-3fy4A:
22.65
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.
3hnr PROBABLE
METHYLTRANSFERASE
BT9727_4108

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		5 GLY A  53
GLU A  74
PRO A  75
SER A  76
HIS A 118
 None
 0.97A 3ndiA-3hnrA:
13.6		 3ndiA-3hnrA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ubr CYTOCHROME C-552

(Shewanella
oneidensis) 		PF02335
(Cytochrom_C552) 		5 GLY A 266
GLU A 389
PRO A 388
ASN A 271
HIS A 268
 None
HEC  A 475 ( 4.5A)
None
HEC  A 475 (-3.7A)
HEC  A 474 ( 2.9A)
 1.31A 3ndiA-3ubrA:
0.0		 3ndiA-3ubrA:
22.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e2z TCAB9

(Micromonospora
chalcea) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		6 SER A  80
GLY A 113
ASN A 115
GLU A 134
ASN A 177
HIS A 181
 SAH  A 503 (-2.7A)
SAH  A 503 (-3.4A)
SAH  A 503 (-4.3A)
SAH  A 503 (-2.7A)
SAH  A 503 ( 3.9A)
SAH  A 503 (-4.4A)
 0.79A 3ndiA-4e2zA:
70.4		 3ndiA-4e2zA:
99.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e2z TCAB9

(Micromonospora
chalcea) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		8 SER A  80
GLY A 113
ASN A 115
GLU A 134
PRO A 135
SER A 136
ASN A 177
TYR A 184
 SAH  A 503 (-2.7A)
SAH  A 503 (-3.4A)
SAH  A 503 (-4.3A)
SAH  A 503 (-2.7A)
SAH  A 503 (-3.8A)
SAH  A 503 (-2.7A)
SAH  A 503 ( 3.9A)
None
 0.13A 3ndiA-4e2zA:
70.4		 3ndiA-4e2zA:
99.76
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.
5hy7 PUTATIVE PRE-MRNA
SPLICING PROTEIN

(Chaetomium
thermophilum) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 SER A 857
GLY A 906
PRO A 945
SER A 886
HIS A 922
 None
 1.30A 3ndiA-5hy7A:
undetectable		 3ndiA-5hy7A:
17.11
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.
5mg3 PROTEIN TRANSLOCASE
SUBUNIT SECD
PROTEIN TRANSLOCASE
SUBUNIT SECF

(Escherichia
coli;
Escherichia
coli) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG)
PF13721
(SecD-TM1)
PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 SER F 121
GLY D 242
ASN F 125
GLU D 303
ASN F 119
 None
 1.19A 3ndiA-5mg3F:
undetectable		 3ndiA-5mg3F:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t67 SUGAR 3-C-METHYL
TRANSFERASE

(Actinomadura
kijaniata) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		9 SER A  80
GLY A 113
ASN A 115
GLU A 134
PRO A 135
SER A 136
ASN A 177
HIS A 181
TYR A 184
 SAH  A 502 (-2.7A)
SAH  A 502 (-3.5A)
SAH  A 502 (-4.3A)
SAH  A 502 (-2.7A)
SAH  A 502 (-3.9A)
SAH  A 502 (-2.8A)
SAH  A 502 ( 3.7A)
JHZ  A 503 (-3.9A)
EDO  A 506 (-3.9A)
 0.17A 3ndiA-5t67A:
66.5		 3ndiA-5t67A:
77.40