SIMILAR PATTERNS OF AMINO ACIDS FOR 5N0O_A_SAMA501_0

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.
1bg4 ENDO-1,4-BETA-XYLANA
SE

(Penicillium
simplicissimum) 		PF00331
(Glyco_hydro_10) 		5 ILE A 205
GLY A 206
PHE A 134
ALA A 229
VAL A 185
 None
None
None
NA  A 619 ( 3.8A)
None
 1.18A 5n0oA-1bg4A:
undetectable		 5n0oA-1bg4A:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1br2 MYOSIN

(Gallus gallus) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 ILE A 262
GLY A 264
PHE A 460
TYR A 161
ALA A 198
 None
 1.17A 5n0oA-1br2A:
1.7		 5n0oA-1br2A:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ex9 LACTONIZING LIPASE

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		5 ILE A  88
GLY A  84
HIS A  83
TYR A 195
ALA A 102
 None
 1.12A 5n0oA-1ex9A:
undetectable		 5n0oA-1ex9A:
22.83
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.
1g8x MYOSIN II HEAVY
CHAIN FUSED TO
ALPHA-ACTININ 3

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF00435
(Spectrin)
PF02736
(Myosin_N) 		5 ILE A 253
GLY A 255
PHE A 449
TYR A 163
ALA A 200
 None
 1.06A 5n0oA-1g8xA:
undetectable		 5n0oA-1g8xA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h79 ANAEROBIC
RIBONUCLEOTIDE-TRIPH
OSPHATE REDUCTASE
LARGE CHAIN

(Escherichia
virus T4) 		PF13597
(NRDD) 		5 ILE A 402
GLY A 403
HIS A 405
VAL A 466
ALA A 445
 None
None
None
None
TTP  A1589 (-4.8A)
 1.02A 5n0oA-1h79A:
1.6		 5n0oA-1h79A:
21.52
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.
1i84 SMOOTH MUSCLE MYOSIN
HEAVY CHAIN

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N) 		5 ILE S 262
GLY S 264
PHE S 460
TYR S 161
ALA S 198
 None
 1.08A 5n0oA-1i84S:
undetectable		 5n0oA-1i84S:
16.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jx2 MYOSIN-2 HEAVY
CHAIN,DYNAMIN-A

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 ILE A 264
GLY A 266
PHE A 460
TYR A 174
ALA A 211
 None
 1.03A 5n0oA-1jx2A:
1.5		 5n0oA-1jx2A:
16.09
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.
1llu ALCOHOL
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 180
HIS A 184
VAL A 185
VAL A 187
VAL A 242
 NAD  A1250 (-3.4A)
None
None
None
None
 1.18A 5n0oA-1lluA:
1.3		 5n0oA-1lluA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m0u GST2 GENE PRODUCT

(Drosophila
melanogaster) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 ILE A 205
GLY A 204
VAL A 228
VAL A 231
VAL A 138
 None
 1.07A 5n0oA-1m0uA:
undetectable		 5n0oA-1m0uA:
20.94
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.
1qyc PHENYLCOUMARAN
BENZYLIC ETHER
REDUCTASE PT1

(Pinus taeda) 		PF05368
(NmrA) 		5 ILE A 266
VAL A 187
SER A 267
ALA A 127
VAL A 121
 None
 1.16A 5n0oA-1qycA:
3.2		 5n0oA-1qycA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tdj BIOSYNTHETIC
THREONINE DEAMINASE

(Escherichia
coli) 		PF00291
(PALP)
PF00585
(Thr_dehydrat_C) 		5 GLY A 316
HIS A  59
VAL A 319
SER A  60
VAL A 242
 PLP  A 962 (-3.4A)
None
None
PLP  A 962 ( 4.7A)
PLP  A 962 (-4.8A)
 1.01A 5n0oA-1tdjA:
undetectable		 5n0oA-1tdjA:
23.18
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.
1vhv DIPHTHINE SYNTHASE

(Archaeoglobus
fulgidus) 		PF00590
(TP_methylase) 		5 GLY A  83
VAL A  87
SER A 112
PHE A 159
ALA A 194
 None
 0.84A 5n0oA-1vhvA:
5.4		 5n0oA-1vhvA:
23.47
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.
1wde PROBABLE DIPHTHINE
SYNTHASE

(Aeropyrum
pernix) 		PF00590
(TP_methylase) 		5 GLY A  92
VAL A  96
SER A 121
ALA A 218
VAL A 244
 None
 1.01A 5n0oA-1wdeA:
6.6		 5n0oA-1wdeA:
22.09
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.
1wu7 HISTIDYL-TRNA
SYNTHETASE

(Thermoplasma
acidophilum) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 TYR A 351
HIS A 420
VAL A 412
VAL A 399
SER A 416
 None
 1.12A 5n0oA-1wu7A:
undetectable		 5n0oA-1wu7A:
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.
1xje RIBONUCLEOTIDE
REDUCTASE,
B12-DEPENDENT

(Thermotoga
maritima) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		5 ILE A 625
GLY A 297
VAL A 245
PHE A 247
ALA A 617
 None
 1.16A 5n0oA-1xjeA:
undetectable		 5n0oA-1xjeA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xks NUCLEAR PORE COMPLEX
PROTEIN NUP133

(Homo sapiens) 		no annotation 5 ILE A 109
GLY A 455
VAL A 460
PHE A  84
ALA A 115
 None
 1.17A 5n0oA-1xksA:
undetectable		 5n0oA-1xksA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zef ALKALINE PHOSPHATASE

(Homo sapiens) 		PF00245
(Alk_phosphatase) 		5 ILE A 110
GLY A  93
PHE A 309
TYR A 160
ALA A 161
 None
SEP  A  92 ( 2.4A)
None
None
None
 1.09A 5n0oA-1zefA:
2.3		 5n0oA-1zefA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ash QUEUINE
TRNA-RIBOSYLTRANSFER
ASE

(Thermotoga
maritima) 		PF01702
(TGT) 		5 ILE A 182
HIS A 143
PHE A  93
VAL A  95
ALA A 208
 None
None
EDO  A 404 ( 4.6A)
None
None
 1.10A 5n0oA-2ashA:
undetectable		 5n0oA-2ashA:
21.95
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 ILE A 566
GLY A 427
HIS A 426
VAL A 527
VAL A 531
 None
 1.01A 5n0oA-2b3xA:
undetectable		 5n0oA-2b3xA:
18.28
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.
2c2n MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Homo sapiens) 		PF00698
(Acyl_transf_1) 		5 ILE A  88
GLY A  33
PHE A 233
ALA A  87
VAL A 139
 None
AE4  A1346 (-3.7A)
None
None
None
 1.15A 5n0oA-2c2nA:
undetectable		 5n0oA-2c2nA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d3a GLUTAMINE SYNTHETASE

(Zea mays) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 ILE A 208
VAL A 214
VAL A 216
SER A 210
ALA A 110
 None
 1.15A 5n0oA-2d3aA:
undetectable		 5n0oA-2d3aA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ddt SPHINGOMYELIN
PHOSPHODIESTERASE

(Bacillus cereus) 		PF03372
(Exo_endo_phos) 		5 ILE A 255
GLY A 193
VAL A 103
ALA A 301
VAL A  48
 None
 1.13A 5n0oA-2ddtA:
undetectable		 5n0oA-2ddtA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ddt SPHINGOMYELIN
PHOSPHODIESTERASE

(Bacillus cereus) 		PF03372
(Exo_endo_phos) 		5 ILE A 255
GLY A 194
VAL A 103
ALA A 301
VAL A  48
 None
 1.18A 5n0oA-2ddtA:
undetectable		 5n0oA-2ddtA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f8t ARGONAUTE PROTEIN

(Aquifex
aeolicus) 		PF02171
(Piwi) 		5 ILE A 395
VAL A 420
SER A 358
TYR A 427
ALA A 397
 None
 1.08A 5n0oA-2f8tA:
undetectable		 5n0oA-2f8tA:
18.53
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.
2fe1 CONSERVED
HYPOTHETICAL PROTEIN
PAE0151

(Pyrobaculum
aerophilum) 		PF01850
(PIN) 		5 ILE A  10
VAL A  27
TYR A 103
ALA A  39
VAL A  77
 None
 1.17A 5n0oA-2fe1A:
undetectable		 5n0oA-2fe1A:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ggq 401AA LONG
HYPOTHETICAL
GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Sulfurisphaera
tokodaii) 		PF00132
(Hexapep)
PF00483
(NTP_transferase) 		5 ILE A 329
GLY A 356
VAL A 339
VAL A 341
VAL A 389
 None
 1.10A 5n0oA-2ggqA:
undetectable		 5n0oA-2ggqA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h0r NICOTINAMIDASE

(Saccharomyces
cerevisiae) 		PF00857
(Isochorismatase) 		5 ILE A 192
VAL A 198
VAL A 202
SER A 193
TYR A  70
 None
 1.18A 5n0oA-2h0rA:
2.2		 5n0oA-2h0rA:
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.
2n57 ACYL CARRIER PROTEIN

(Brucella
melitensis) 		PF00550
(PP-binding) 		5 ILE A  63
VAL A   8
VAL A  12
ALA A  59
VAL A  41
 None
 1.11A 5n0oA-2n57A:
undetectable		 5n0oA-2n57A:
14.29
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.
2nq9 ENDONUCLEASE 4

(Escherichia
coli) 		PF01261
(AP_endonuc_2) 		5 ILE A 126
GLY A 111
HIS A 109
PHE A  91
ALA A 127
 None
None
ZN  A 401 (-3.2A)
None
None
 1.03A 5n0oA-2nq9A:
undetectable		 5n0oA-2nq9A:
22.52
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.
2ntj ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 ILE A  10
GLY A  90
VAL A 184
ALA A  29
VAL A 242
 None
 1.06A 5n0oA-2ntjA:
2.3		 5n0oA-2ntjA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p6d DIPHTHINE SYNTHASE

(Pyrococcus
horikoshii) 		PF00590
(TP_methylase) 		5 GLY A  86
VAL A  90
SER A 115
PHE A 165
ALA A 209
 SAH  A 301 ( 3.7A)
SAH  A 301 (-4.0A)
SAH  A 301 (-2.7A)
SAH  A 301 (-4.8A)
SAH  A 301 (-3.6A)
 1.01A 5n0oA-2p6dA:
6.7		 5n0oA-2p6dA:
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.
2p6h HYPOTHETICAL PROTEIN

(Aeropyrum
pernix) 		PF01894
(UPF0047) 		5 ILE A  93
GLY A  89
HIS A  87
ALA A  49
VAL A  16
 None
 1.14A 5n0oA-2p6hA:
undetectable		 5n0oA-2p6hA:
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.
2p76 GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Staphylococcus
aureus) 		PF03009
(GDPD) 		5 TYR A  74
GLY A  61
HIS A  59
SER A  63
TYR A 145
 None
None
GOL  A 501 (-3.8A)
None
None
 1.17A 5n0oA-2p76A:
undetectable		 5n0oA-2p76A:
19.62
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.
2p8j S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF08241
(Methyltransf_11) 		5 ILE A  74
GLY A  50
VAL A  26
VAL A  92
ALA A  61
 GOL  A 212 (-3.8A)
None
None
None
None
 1.07A 5n0oA-2p8jA:
undetectable		 5n0oA-2p8jA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w61 GLYCOLIPID-ANCHORED
SURFACE PROTEIN 2

(Saccharomyces
cerevisiae) 		PF03198
(Glyco_hydro_72)
PF07983
(X8) 		5 GLY A 304
PHE A 238
SER A 274
TYR A 107
ALA A  58
 None
 1.17A 5n0oA-2w61A:
undetectable		 5n0oA-2w61A:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w61 GLYCOLIPID-ANCHORED
SURFACE PROTEIN 2

(Saccharomyces
cerevisiae) 		PF03198
(Glyco_hydro_72)
PF07983
(X8) 		5 GLY A 304
SER A 274
PHE A 172
TYR A 107
ALA A  58
 None
 1.12A 5n0oA-2w61A:
undetectable		 5n0oA-2w61A:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wnb -

(Sus scrofa) 		PF00777
(Glyco_transf_29) 		5 ILE A 278
VAL A 147
SER A 276
PHE A 292
VAL A 327
 None
None
None
C5P  A1344 (-4.6A)
None
 1.16A 5n0oA-2wnbA:
undetectable		 5n0oA-2wnbA:
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.
2wsu PUTATIVE FIBER
PROTEIN

(Porcine
mastadenovirus
B) 		PF00337
(Gal-bind_lectin) 		5 ILE A 666
GLY A 555
HIS A 682
VAL A 684
ALA A 591
 None
 1.18A 5n0oA-2wsuA:
undetectable		 5n0oA-2wsuA:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ya2 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 TYR A 611
GLY A 610
VAL A 410
PHE A 402
ALA A 680
 None
 1.16A 5n0oA-2ya2A:
undetectable		 5n0oA-2ya2A:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ylz PHENYLACETONE
MONOOXYGENASE

(Thermobifida
fusca) 		PF13738
(Pyr_redox_3) 		5 ILE A 199
GLY A 198
VAL A 214
PHE A 348
ALA A 222
 None
 1.12A 5n0oA-2ylzA:
undetectable		 5n0oA-2ylzA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ywx PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00731
(AIRC) 		5 ILE A  58
VAL A  77
PHE A  55
VAL A  54
VAL A  31
 None
 1.16A 5n0oA-2ywxA:
undetectable		 5n0oA-2ywxA:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z6g B-CATENIN

(Danio rerio) 		PF00514
(Arm) 		5 ILE A 230
GLY A 226
HIS A 223
SER A 221
VAL A 198
 None
 1.14A 5n0oA-2z6gA:
undetectable		 5n0oA-2z6gA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z6h CATENIN BETA-1

(Homo sapiens) 		PF00514
(Arm) 		5 ILE A 231
GLY A 227
HIS A 224
SER A 222
VAL A 199
 None
 1.12A 5n0oA-2z6hA:
undetectable		 5n0oA-2z6hA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		5 HIS A 202
VAL A 206
SER A 270
ALA A 284
VAL A 261
 None
 1.19A 5n0oA-2zwvA:
2.4		 5n0oA-2zwvA:
20.18
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.
3aeq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Rhodobacter
capsulatus) 		PF00148
(Oxidored_nitro) 		5 GLY B 287
VAL B 341
TYR B 328
ALA B 296
VAL B 283
 None
 1.01A 5n0oA-3aeqB:
2.5		 5n0oA-3aeqB:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus) 		PF14520
(HHH_5)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb) 		5 ILE A 174
VAL A 242
VAL A 234
ALA A 183
VAL A 246
 None
 1.02A 5n0oA-3auoA:
undetectable		 5n0oA-3auoA:
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.
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ILE A 210
GLY A 213
VAL A 171
SER A 211
VAL A 221
 FAD  A 616 (-4.3A)
None
None
FAD  A 616 (-3.0A)
None
 1.17A 5n0oA-3b96A:
undetectable		 5n0oA-3b96A:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c7m THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBA-LIKE

(Escherichia
coli) 		PF01323
(DSBA) 		5 ILE A  14
GLY A 170
VAL A  51
ALA A 153
VAL A  24
 None
 1.12A 5n0oA-3c7mA:
undetectable		 5n0oA-3c7mA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cz5 TWO-COMPONENT
RESPONSE REGULATOR,
LUXR FAMILY

(Aurantimonas
manganoxydans) 		PF00072
(Response_reg) 		5 ILE A 122
GLY A 104
VAL A 106
PHE A  85
TYR A  31
 None
 0.99A 5n0oA-3cz5A:
2.3		 5n0oA-3cz5A:
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.
3cz5 TWO-COMPONENT
RESPONSE REGULATOR,
LUXR FAMILY

(Aurantimonas
manganoxydans) 		PF00072
(Response_reg) 		5 ILE A 122
GLY A 104
VAL A 106
PHE A  85
VAL A  55
 None
 1.14A 5n0oA-3cz5A:
2.3		 5n0oA-3cz5A:
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.
3e35 UNCHARACTERIZED
PROTEIN SCO1997

(Streptomyces
coelicolor) 		PF09754
(PAC2) 		5 ILE A 129
GLY A 127
VAL A 186
PHE A 122
ALA A  62
 None
 1.16A 5n0oA-3e35A:
undetectable		 5n0oA-3e35A:
23.63
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.
3fip OUTER MEMBRANE USHER
PROTEIN PAPC

(Escherichia
coli) 		PF00577
(Usher) 		5 GLY A 360
VAL A 341
PHE A 357
TYR A 382
ALA A 384
 None
 1.08A 5n0oA-3fipA:
undetectable		 5n0oA-3fipA:
21.60
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.
3iau THREONINE DEAMINASE

(Solanum
lycopersicum) 		PF00291
(PALP) 		5 ILE A 222
GLY A 219
VAL A 276
VAL A 273
VAL A 241
 None
LLP  A  91 ( 3.5A)
None
None
None
 0.87A 5n0oA-3iauA:
2.2		 5n0oA-3iauA:
22.78
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.
3ifq PLAKOGLOBIN

(Homo sapiens) 		PF00514
(Arm) 		5 ILE A 222
GLY A 218
HIS A 215
SER A 213
VAL A 190
 None
None
SO4  A 101 (-4.4A)
None
None
 1.15A 5n0oA-3ifqA:
undetectable		 5n0oA-3ifqA:
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.
3ikm DNA POLYMERASE
SUBUNIT GAMMA-1

(Homo sapiens) 		PF00476
(DNA_pol_A) 		5 ILE A 954
TYR A 951
GLY A 952
VAL A1074
ALA A 899
 None
 1.07A 5n0oA-3ikmA:
undetectable		 5n0oA-3ikmA:
16.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3im8 MALONYL ACYL CARRIER
PROTEIN TRANSACYLASE

(Streptococcus
pneumoniae) 		PF00698
(Acyl_transf_1) 		5 ILE A  65
GLY A  10
PHE A 198
ALA A  64
VAL A 112
 None
None
ACT  A 500 (-4.8A)
None
None
 1.03A 5n0oA-3im8A:
undetectable		 5n0oA-3im8A:
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.
3j04 MYOSIN-11

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N) 		5 ILE A 262
GLY A 264
PHE A 460
TYR A 161
ALA A 198
 None
 1.04A 5n0oA-3j04A:
undetectable		 5n0oA-3j04A:
18.11
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.
3j9q SHEATH

(Pseudomonas
aeruginosa) 		PF04984
(Phage_sheath_1)
PF17482
(Phage_sheath_1C) 		5 ILE A  99
GLY A 100
VAL A  85
VAL A  83
ALA A 138
 None
 1.03A 5n0oA-3j9qA:
undetectable		 5n0oA-3j9qA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pqs TRANSFERRIN-BINDING
PROTEIN

(Actinobacillus
pleuropneumoniae) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		5 ILE A 116
GLY A 127
PHE A 278
ALA A 185
VAL A 182
 None
 1.19A 5n0oA-3pqsA:
undetectable		 5n0oA-3pqsA:
23.25
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.
3pzj PROBABLE
ACETYLTRANSFERASES

(Chromobacterium
violaceum) 		PF13302
(Acetyltransf_3) 		5 TYR A  91
GLY A 106
HIS A 121
VAL A  83
ALA A 145
 None
None
EDO  A 207 (-4.0A)
NA  A 301 (-4.3A)
None
 0.99A 5n0oA-3pzjA:
undetectable		 5n0oA-3pzjA:
19.65
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.
3sl9 CATENIN BETA-1

(Homo sapiens) 		PF00514
(Arm) 		5 ILE A 231
GLY A 227
HIS A 224
SER A 222
VAL A 199
 None
 1.12A 5n0oA-3sl9A:
undetectable		 5n0oA-3sl9A:
18.46
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.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 TYR A 161
GLY A 435
VAL A 387
VAL A 366
ALA A 394
 None
 1.19A 5n0oA-3sutA:
undetectable		 5n0oA-3sutA:
20.88
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.
3vta CUCUMISIN

(Cucumis melo) 		PF00082
(Peptidase_S8) 		5 ILE A 269
GLY A 137
SER A 271
ALA A 535
VAL A 234
 None
 1.09A 5n0oA-3vtaA:
undetectable		 5n0oA-3vtaA:
20.87
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.
3vv3 DESEASIN MCP-01

(Pseudoalteromonas
sp. SM9913) 		PF00082
(Peptidase_S8) 		5 ILE A 224
VAL A 221
PHE A 195
SER A 223
ALA A 271
 None
 1.12A 5n0oA-3vv3A:
undetectable		 5n0oA-3vv3A:
24.47
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.
4bb9 GLUCOKINASE
REGULATORY PROTEIN

(Homo sapiens) 		no annotation 5 ILE A  49
GLY A 492
HIS A 494
VAL A 320
ALA A  44
 None
 1.07A 5n0oA-4bb9A:
2.2		 5n0oA-4bb9A:
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.
4cpd ALCOHOL
DEHYDROGENASE

(Thermus sp.
ATN1) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 185
GLY A 181
VAL A 266
ALA A 214
VAL A 172
 None
None
NAD  A1407 (-4.0A)
None
None
 1.16A 5n0oA-4cpdA:
2.4		 5n0oA-4cpdA:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cuk D-LACTATE
DEHYDROGENASE

(Salmonella
enterica) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ILE A 238
GLY A 235
VAL A 259
PHE A 292
ALA A 243
 None
 1.14A 5n0oA-4cukA:
undetectable		 5n0oA-4cukA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i7z APOCYTOCHROME F

(Mastigocladus
laminosus) 		PF01333
(Apocytochr_F_C)
PF16639
(Apocytochr_F_N) 		5 GLY C 152
VAL C  50
VAL C  34
PHE C 129
VAL C 113
 None
 1.19A 5n0oA-4i7zC:
undetectable		 5n0oA-4i7zC:
21.89
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.
4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Xanthobacter
autotrophicus) 		PF13561
(adh_short_C2) 		5 ILE A  10
GLY A  87
VAL A 179
ALA A  27
VAL A 230
 None
 1.06A 5n0oA-4ituA:
undetectable		 5n0oA-4ituA:
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.
4kh3 ANTIGEN 43

(Escherichia
coli) 		PF16168
(AIDA) 		5 GLY A  26
HIS A   6
VAL A   4
PHE A  23
VAL A  71
 MLI  A 601 (-3.2A)
None
None
None
None
 1.14A 5n0oA-4kh3A:
undetectable		 5n0oA-4kh3A:
21.11
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.
4lc9 GLUCOKINASE
REGULATORY PROTEIN

(Rattus
norvegicus) 		no annotation 5 ILE A  49
GLY A 492
HIS A 494
VAL A 320
ALA A  44
 None
 1.10A 5n0oA-4lc9A:
1.4		 5n0oA-4lc9A:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4neg TRYPTOPHAN SYNTHASE
BETA CHAIN

(Bacillus
anthracis) 		PF00291
(PALP) 		5 GLY A 139
VAL A 150
TYR A 190
ALA A 177
VAL A 135
 None
 1.16A 5n0oA-4negA:
undetectable		 5n0oA-4negA:
23.98
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.
4o7d GLUTAMINASE KIDNEY
ISOFORM,
MITOCHONDRIAL

(Homo sapiens) 		PF04960
(Glutaminase) 		5 ILE A 488
GLY A 514
HIS A 516
PHE A 468
ALA A 480
 None
 1.04A 5n0oA-4o7dA:
undetectable		 5n0oA-4o7dA:
20.99
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.
4ofw PROTEIN DJ-1 HOMOLOG
D

(Arabidopsis
thaliana) 		PF01965
(DJ-1_PfpI) 		5 ILE A 318
GLY A 315
HIS A 314
VAL A 336
VAL A 324
 None
 1.16A 5n0oA-4ofwA:
undetectable		 5n0oA-4ofwA:
21.46
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.
4pd3 NONMUSCLE MYOSIN
HEAVY CHAIN B,
ALPHA-ACTININ A
CHIMERA PROTEIN

(Homo sapiens;
Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF00435
(Spectrin)
PF02736
(Myosin_N) 		5 ILE A 256
GLY A 258
PHE A 454
TYR A 162
ALA A 199
 None
 1.15A 5n0oA-4pd3A:
2.7		 5n0oA-4pd3A:
18.02
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.
4qqs GLYCOSIDE HYDROLASE
FAMILY 43

(Halothermothrix
orenii) 		PF04616
(Glyco_hydro_43) 		5 ILE A 222
TYR A 272
GLY A 255
SER A 221
VAL A 301
 None
 1.10A 5n0oA-4qqsA:
undetectable		 5n0oA-4qqsA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rdc AMINO ACID/AMIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, HAAT FAMILY

(Trichormus
variabilis) 		PF13458
(Peripla_BP_6) 		5 ILE A  59
GLY A  58
VAL A 124
VAL A 147
ALA A  78
 None
 1.18A 5n0oA-4rdcA:
3.6		 5n0oA-4rdcA:
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.
4rph UDP-GALACTOPYRANOSE
MUTASE

(Mycobacterium
tuberculosis) 		no annotation 5 ILE B 126
GLY B 150
PHE B 157
VAL B 158
ALA B 122
 None
None
None
GDU  B 402 (-3.2A)
None
 0.91A 5n0oA-4rphB:
undetectable		 5n0oA-4rphB:
24.27
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.
4uek GALACTITOL-1-PHOSPHA
TE 5-DEHYDROGENASE

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 177
GLY A 173
VAL A 259
ALA A 206
VAL A 164
 None
 1.10A 5n0oA-4uekA:
2.9		 5n0oA-4uekA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4umv ZINC-TRANSPORTING
ATPASE

(Shigella sonnei) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 ILE A 358
GLY A 391
VAL A 397
PHE A 350
ALA A 357
 None
 0.95A 5n0oA-4umvA:
2.7		 5n0oA-4umvA:
23.32
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.
4unf ENDONUCLEASE III-1

(Deinococcus
radiodurans) 		PF00730
(HhH-GPD) 		5 ILE A 179
GLY A 177
PHE A 246
ALA A 187
VAL A 169
 None
 1.06A 5n0oA-4unfA:
undetectable		 5n0oA-4unfA:
21.39
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.
4zv4 ELONGATION FACTOR TU

(Pseudomonas
aeruginosa) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 ILE A  18
TYR A  88
HIS A  23
ALA A 102
VAL A  80
 None
 1.13A 5n0oA-4zv4A:
2.1		 5n0oA-4zv4A:
24.26
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.
5d3o GLUTAMINASE KIDNEY
ISOFORM,
MITOCHONDRIAL

(Homo sapiens) 		PF04960
(Glutaminase) 		5 ILE A 493
GLY A 519
HIS A 521
PHE A 473
ALA A 485
 None
 1.03A 5n0oA-5d3oA:
undetectable		 5n0oA-5d3oA:
21.61
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.
5e7p CELL DIVISION
CONTROL PROTEIN
CDC48

(Mycolicibacterium
smegmatis) 		PF00004
(AAA)
PF02359
(CDC48_N) 		5 ILE A 587
GLY A 627
VAL A 625
PHE A 571
ALA A 591
 None
 1.02A 5n0oA-5e7pA:
3.5		 5n0oA-5e7pA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ey5 LBCA-B

(synthetic
construct) 		PF00291
(PALP) 		5 GLY B 132
VAL B 143
TYR B 183
ALA B 170
VAL B 128
 None
 1.19A 5n0oA-5ey5B:
undetectable		 5n0oA-5ey5B:
23.14
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.
5fr8 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ILE A 129
VAL A  40
VAL A 134
SER A 131
VAL A  96
 None
 1.16A 5n0oA-5fr8A:
undetectable		 5n0oA-5fr8A:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fv0 ESSC

(Geobacillus
thermodenitrificans) 		PF01580
(FtsK_SpoIIIE) 		5 ILE A1282
HIS A1279
VAL A1408
PHE A1374
VAL A1373
 None
 1.07A 5n0oA-5fv0A:
undetectable		 5n0oA-5fv0A:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gin FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Sulfolobus
solfataricus) 		PF01269
(Fibrillarin) 		5 ILE E  91
GLY E  88
VAL E  38
SER E  92
ALA E 104
 None
 1.06A 5n0oA-5ginE:
undetectable		 5n0oA-5ginE:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hei NFRA2

(Bacillus
megaterium) 		PF00881
(Nitroreductase) 		5 ILE A 115
GLY A 114
VAL A 157
SER A 116
ALA A  38
 None
 1.18A 5n0oA-5heiA:
undetectable		 5n0oA-5heiA:
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.
5i4e MYOSIN-14,ALPHA-ACTI
NIN A

(Homo sapiens;
Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF00435
(Spectrin)
PF02736
(Myosin_N) 		5 ILE A 276
GLY A 278
PHE A 473
TYR A 182
ALA A 219
 None
 1.08A 5n0oA-5i4eA:
2.2		 5n0oA-5i4eA:
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.
5j69 ASTROTACTIN-2

(Homo sapiens) 		PF01823
(MACPF) 		5 ILE A 846
GLY A 850
HIS A 848
VAL A 742
ALA A 978
 None
 1.18A 5n0oA-5j69A:
undetectable		 5n0oA-5j69A:
21.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n0o PEPTIDE
N-METHYLTRANSFERASE

(Omphalotus
olearius) 		no annotation 6 ILE A  19
GLY A  18
SER A 129
TYR A 211
ALA A 213
VAL A 243
 SAM  A 501 (-4.5A)
None
SAM  A 501 (-4.7A)
SAM  A 501 (-4.7A)
SAM  A 501 (-3.6A)
SAM  A 501 (-4.0A)
 1.04A 5n0oA-5n0oA:
50.1		 5n0oA-5n0oA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n0o PEPTIDE
N-METHYLTRANSFERASE

(Omphalotus
olearius) 		no annotation 12 ILE A  19
TYR A  98
GLY A  99
HIS A 100
VAL A 103
PHE A 104
VAL A 105
SER A 129
PHE A 171
TYR A 211
ALA A 213
VAL A 243
 SAM  A 501 (-4.5A)
SAM  A 501 (-4.7A)
SAM  A 501 (-3.5A)
None
SAM  A 501 (-4.4A)
None
None
SAM  A 501 (-4.7A)
SAM  A 501 (-4.3A)
SAM  A 501 (-4.7A)
SAM  A 501 (-3.6A)
SAM  A 501 (-4.0A)
 0.00A 5n0oA-5n0oA:
50.1		 5n0oA-5n0oA:
100.00
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.
5ns8 -

(-) 		no annotation 5 VAL A  43
SER A  37
PHE A 401
ALA A  23
VAL A  51
 None
 1.12A 5n0oA-5ns8A:
undetectable		 5n0oA-5ns8A:
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.
5oar BETA-HEXOSAMINIDASE

(Aspergillus
oryzae) 		no annotation 5 TYR B 184
GLY B 511
VAL B 436
VAL B 415
ALA B 514
 None
 1.10A 5n0oA-5oarB:
undetectable		 5n0oA-5oarB:
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.
5up2 N-METHYL-D-ASPARTATE
RECEPTOR SUBUNIT
NR2A

(Xenopus laevis) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 GLY B 474
HIS B 473
VAL B 468
ALA B 509
VAL B 489
 None
 0.94A 5n0oA-5up2B:
2.5		 5n0oA-5up2B:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uqd DUMPY: SHORTER THAN
WILD-TYPE

(Caenorhabditis
elegans) 		no annotation 5 ILE A1506
GLY A1505
PHE A1409
TYR A1335
ALA A1339
 None
 1.13A 5n0oA-5uqdA:
undetectable		 5n0oA-5uqdA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uqe GLUTAMINASE KIDNEY
ISOFORM,
MITOCHONDRIAL

(Homo sapiens) 		PF04960
(Glutaminase)
PF12796
(Ank_2) 		5 ILE A 488
GLY A 514
HIS A 516
PHE A 468
ALA A 480
 None
 1.06A 5n0oA-5uqeA:
undetectable		 5n0oA-5uqeA:
20.59
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S) 		5 ILE A 290
VAL A 297
SER A 292
ALA A 176
VAL A 179
 None
 1.18A 5n0oA-5xfaA:
undetectable		 5n0oA-5xfaA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 5 TYR A 503
GLY A 504
VAL A 620
SER A 556
ALA A 563
 None
 1.10A 5n0oA-6fikA:
2.7		 5n0oA-6fikA:
undetectable