SIMILAR PATTERNS OF AMINO ACIDS FOR 5N0W_A_SAMA501

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
 1.19A 5n0wA-1bg4A:
undetectable		 5n0wA-1bg4A:
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.
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
 1.18A 5n0wA-1br2A:
0.6		 5n0wA-1br2A:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.11A 5n0wA-1ex9A:
undetectable		 5n0wA-1ex9A:
23.59
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.
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
 1.09A 5n0wA-1g8xA:
0.0		 5n0wA-1g8xA:
17.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gtk PORPHOBILINOGEN
DEAMINASE

(Escherichia
coli) 		PF01379
(Porphobil_deam)
PF03900
(Porphobil_deamC) 		5 ILE A  98
GLY A 202
HIS A  80
VAL A  85
ALA A 225
 None
 1.22A 5n0wA-1gtkA:
2.2		 5n0wA-1gtkA:
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.
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)
 1.04A 5n0wA-1h79A:
2.1		 5n0wA-1h79A:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.11A 5n0wA-1i84S:
0.1		 5n0wA-1i84S:
16.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.05A 5n0wA-1jx2A:
undetectable		 5n0wA-1jx2A:
16.36
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.
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
 1.20A 5n0wA-1lluA:
2.2		 5n0wA-1lluA:
23.49
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.
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
 1.08A 5n0wA-1m0uA:
undetectable		 5n0wA-1m0uA:
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.
1qz9 KYNURENINASE

(Pseudomonas
fluorescens) 		PF00266
(Aminotran_5) 		5 ILE A 398
GLY A 396
VAL A 321
PHE A 317
ALA A 358
 None
 1.17A 5n0wA-1qz9A:
undetectable		 5n0wA-1qz9A:
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.
1rii 2,3-BISPHOSPHOGLYCER
ATE-DEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Mycobacterium
tuberculosis) 		PF00300
(His_Phos_1) 		5 ILE A 207
GLY A 184
HIS A 183
PHE A 160
VAL A 156
 None
None
GOL  A 501 ( 4.6A)
None
None
 1.08A 5n0wA-1riiA:
3.2		 5n0wA-1riiA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vq7 50S RIBOSOMAL
PROTEIN L30P

(Haloarcula
marismortui) 		PF00327
(Ribosomal_L30) 		5 ILE W 146
GLY W 145
VAL W 132
ALA W   3
VAL W   5
 None
 1.10A 5n0wA-1vq7W:
undetectable		 5n0wA-1vq7W:
17.62
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.
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
 1.15A 5n0wA-1xjeA:
undetectable		 5n0wA-1xjeA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5n0wA-1xksA:
undetectable		 5n0wA-1xksA:
23.49
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.
1xny PROPIONYL-COA
CARBOXYLASE COMPLEX
B SUBUNIT

(Streptomyces
coelicolor) 		PF01039
(Carboxyl_trans) 		5 GLY A 137
VAL A 135
VAL A  99
TYR A 117
VAL A  88
 None
 1.21A 5n0wA-1xnyA:
undetectable		 5n0wA-1xnyA:
24.37
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.
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 5n0wA-1zefA:
2.3		 5n0wA-1zefA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.06A 5n0wA-2ashA:
undetectable		 5n0wA-2ashA:
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.
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
 0.99A 5n0wA-2b3xA:
undetectable		 5n0wA-2b3xA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5n0wA-2c2nA:
undetectable		 5n0wA-2c2nA:
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.
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
 1.16A 5n0wA-2ddtA:
undetectable		 5n0wA-2ddtA:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.19A 5n0wA-2ddtA:
undetectable		 5n0wA-2ddtA:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e28 PYRUVATE KINASE

(Geobacillus
stearothermophilus) 		PF00224
(PK)
PF00391
(PEP-utilizers)
PF02887
(PK_C) 		5 GLY A  28
VAL A  62
ALA A 333
MET A 329
VAL A 310
 None
 1.01A 5n0wA-2e28A:
undetectable		 5n0wA-2e28A:
24.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e4u METABOTROPIC
GLUTAMATE RECEPTOR 3

(Rattus
norvegicus) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		5 ILE A  76
GLY A  92
TYR A 398
ALA A  75
MET A  72
 None
 1.17A 5n0wA-2e4uA:
2.9		 5n0wA-2e4uA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.18A 5n0wA-2fe1A:
undetectable		 5n0wA-2fe1A:
18.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.11A 5n0wA-2ggqA:
undetectable		 5n0wA-2ggqA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.14A 5n0wA-2n57A:
undetectable		 5n0wA-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
 1.02A 5n0wA-2nq9A:
undetectable		 5n0wA-2nq9A:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.03A 5n0wA-2ntjA:
2.3		 5n0wA-2ntjA:
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.
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 5n0wA-2p8jA:
undetectable		 5n0wA-2p8jA:
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.
2vbk TAILSPIKE-PROTEIN

(Shigella virus
Sf6) 		PF12708
(Pectate_lyase_3) 		5 ILE A 454
GLY A 434
VAL A 407
PHE A 417
VAL A 479
 None
 1.19A 5n0wA-2vbkA:
undetectable		 5n0wA-2vbkA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.19A 5n0wA-2ya2A:
undetectable		 5n0wA-2ya2A:
22.07
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.
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
 1.11A 5n0wA-2ylzA:
undetectable		 5n0wA-2ylzA:
21.53
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.
2yv2 SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Aeropyrum
pernix) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 ILE A 126
GLY A 183
VAL A 157
VAL A 156
VAL A  10
 None
 1.19A 5n0wA-2yv2A:
undetectable		 5n0wA-2yv2A:
24.29
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.
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 5n0wA-2ywxA:
undetectable		 5n0wA-2ywxA:
17.92
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.
2z1k (NEO)PULLULANASE

(Thermus
thermophilus) 		PF00128
(Alpha-amylase) 		5 ILE A 192
GLY A 198
VAL A 230
PHE A 216
ALA A 223
 None
 1.19A 5n0wA-2z1kA:
undetectable		 5n0wA-2z1kA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.05A 5n0wA-3aeqB:
undetectable		 5n0wA-3aeqB:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5n0wA-3auoA:
undetectable		 5n0wA-3auoA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.10A 5n0wA-3c7mA:
undetectable		 5n0wA-3c7mA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ci2 CHYMOTRYPSIN
INHIBITOR 2

(Hordeum vulgare) 		PF00280
(potato_inhibit) 		5 ILE A  39
VAL A  70
PHE A  69
ALA A  46
VAL A  82
 None
 1.06A 5n0wA-3ci2A:
undetectable		 5n0wA-3ci2A:
9.02
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.
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
 0.96A 5n0wA-3cz5A:
2.5		 5n0wA-3cz5A:
17.07
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.
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
 1.13A 5n0wA-3cz5A:
2.5		 5n0wA-3cz5A:
17.07
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.
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 5n0wA-3e35A:
undetectable		 5n0wA-3e35A:
23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.07A 5n0wA-3fipA:
undetectable		 5n0wA-3fipA:
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.
3i7f ASPARTYL-TRNA
SYNTHETASE

(Entamoeba
histolytica) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ILE A 335
PHE A 354
TYR A 459
MET A 337
VAL A 349
 None
 1.21A 5n0wA-3i7fA:
undetectable		 5n0wA-3i7fA:
20.25
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.
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
 0.86A 5n0wA-3iauA:
undetectable		 5n0wA-3iauA:
21.53
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.
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 5n0wA-3ikmA:
undetectable		 5n0wA-3ikmA:
15.83
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.
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
 1.04A 5n0wA-3im8A:
undetectable		 5n0wA-3im8A:
23.44
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.
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
 1.06A 5n0wA-3j04A:
undetectable		 5n0wA-3j04A:
18.29
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.
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 5n0wA-3j9qA:
undetectable		 5n0wA-3j9qA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ptw MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Clostridium
perfringens) 		PF00698
(Acyl_transf_1) 		5 ILE A  66
GLY A  10
PHE A 198
ALA A  65
VAL A 113
 None
 1.11A 5n0wA-3ptwA:
1.0		 5n0wA-3ptwA:
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.
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
 1.05A 5n0wA-3pzjA:
undetectable		 5n0wA-3pzjA:
19.76
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.
3sfw DIHYDROPYRIMIDINASE

(Brevibacillus
agri) 		PF01979
(Amidohydro_1) 		5 ILE A 118
GLY A 450
PHE A 443
ALA A  81
VAL A 430
 None
 1.21A 5n0wA-3sfwA:
undetectable		 5n0wA-3sfwA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sm9 METABOTROPIC
GLUTAMATE RECEPTOR 3

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 ILE A  51
GLY A  67
TYR A 373
ALA A  50
MET A  47
 None
 1.21A 5n0wA-3sm9A:
3.0		 5n0wA-3sm9A:
21.94
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.
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
 1.22A 5n0wA-3sutA:
undetectable		 5n0wA-3sutA:
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.
4a63 APOPTOSIS
STIMULATING OF P53
PROTEIN 2

(Homo sapiens) 		PF00018
(SH3_1)
PF12796
(Ank_2) 		5 ILE B1062
GLY B1115
VAL B1018
MET B1084
VAL B1109
 None
 1.00A 5n0wA-4a63B:
undetectable		 5n0wA-4a63B:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b3n MALTOSE-BINDING
PERIPLASMIC PROTEIN,
TRIPARTITE
MOTIF-CONTAINING
PROTEIN 5

(Escherichia
coli;
Macaca mulatta) 		PF00622
(SPRY)
PF01547
(SBP_bac_1) 		5 TYR A1403
GLY A1402
VAL A1477
PHE A1478
ALA A1387
 None
 1.00A 5n0wA-4b3nA:
undetectable		 5n0wA-4b3nA:
21.28
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.
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
 1.05A 5n0wA-4bb9A:
3.5		 5n0wA-4bb9A:
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.
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 5n0wA-4cpdA:
3.5		 5n0wA-4cpdA:
23.78
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.
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 5n0wA-4cukA:
undetectable		 5n0wA-4cukA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.03A 5n0wA-4ituA:
undetectable		 5n0wA-4ituA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4laf NAD(P)H
DEHYDROGENASE
(QUINONE)

(Pseudomonas sp.
WBC-3) 		PF03358
(FMN_red) 		5 ILE A  23
GLY A 193
VAL A 148
VAL A 146
ALA A  20
 None
 1.21A 5n0wA-4lafA:
2.2		 5n0wA-4lafA:
20.15
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.
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
 1.08A 5n0wA-4lc9A:
2.3		 5n0wA-4lc9A:
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.
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
 1.20A 5n0wA-4negA:
undetectable		 5n0wA-4negA:
23.35
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.
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
 1.03A 5n0wA-4o7dA:
undetectable		 5n0wA-4o7dA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.15A 5n0wA-4ofwA:
undetectable		 5n0wA-4ofwA:
22.91
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.
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
 1.17A 5n0wA-4pd3A:
2.9		 5n0wA-4pd3A:
17.58
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.
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 5n0wA-4rphB:
undetectable		 5n0wA-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.
4ry9 PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Verminephrobacter
eiseniae) 		PF13407
(Peripla_BP_4) 		5 ILE A  96
VAL A  84
VAL A  88
ALA A  57
VAL A  68
 None
None
GOL  A 403 ( 4.1A)
None
None
 1.22A 5n0wA-4ry9A:
3.9		 5n0wA-4ry9A:
22.91
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.
4u39 CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A  18
VAL A  16
PHE A 100
VAL A  99
MET A 105
 None
 1.15A 5n0wA-4u39A:
2.6		 5n0wA-4u39A:
21.93
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.
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
 1.11A 5n0wA-4uekA:
2.3		 5n0wA-4uekA:
21.65
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.
4umv ZINC-TRANSPORTING
ATPASE

(Shigella sonnei) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 ILE A 358
GLY A 391
VAL A 206
ALA A 357
MET A 359
 None
 1.18A 5n0wA-4umvA:
2.6		 5n0wA-4umvA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4umv ZINC-TRANSPORTING
ATPASE

(Shigella sonnei) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		6 ILE A 358
GLY A 391
VAL A 397
PHE A 350
ALA A 357
MET A 359
 None
 1.06A 5n0wA-4umvA:
2.6		 5n0wA-4umvA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.10A 5n0wA-4unfA:
undetectable		 5n0wA-4unfA:
20.91
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.
4wse PUTATIVE POLY(A)
POLYMERASE CATALYTIC
SUBUNIT

(Acanthamoeba
polyphaga
mimivirus) 		no annotation 5 ILE A 248
GLY A 247
VAL A 380
VAL A 375
ALA A 282
 None
 1.21A 5n0wA-4wseA:
undetectable		 5n0wA-4wseA:
19.06
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.
4xin LPQH ORTHOLOGUE

(Mycobacterium
avium) 		PF05481
(Myco_19_kDa) 		5 ILE A 100
VAL A  33
ALA A  89
MET A  91
VAL A  57
 None
 1.07A 5n0wA-4xinA:
undetectable		 5n0wA-4xinA:
15.93
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.
4zfm PUTATIVE
6-PHOSPHO-BETA-GALAC
TOBIOSIDASE

(Geobacillus
stearothermophilus) 		PF00232
(Glyco_hydro_1) 		5 ILE A 175
TYR A 179
GLY A 178
HIS A 184
ALA A 201
 None
 1.21A 5n0wA-4zfmA:
undetectable		 5n0wA-4zfmA:
19.52
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.
4zv4 ELONGATION FACTOR TU

(Pseudomonas
aeruginosa) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 ILE A  18
GLY A  19
HIS A  23
ALA A 102
VAL A  80
 None
 1.19A 5n0wA-4zv4A:
2.1		 5n0wA-4zv4A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5n0wA-4zv4A:
2.1		 5n0wA-4zv4A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b48 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
BETA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF02775
(TPP_enzyme_C)
PF12367
(PFO_beta_C) 		5 ILE B  69
VAL B  39
TYR B 161
ALA B 104
VAL B 109
 None
 1.14A 5n0wA-5b48B:
1.9		 5n0wA-5b48B:
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.
5c2k TRANSFORMING PROTEIN
RHOA,RAC
GTPASE-ACTIVATING
PROTEIN 1

(Homo sapiens) 		PF00071
(Ras)
PF00620
(RhoGAP) 		5 ILE A 280
HIS A 230
VAL A 268
PHE A 262
VAL A 255
 None
 1.16A 5n0wA-5c2kA:
undetectable		 5n0wA-5c2kA:
22.63
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.
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
 1.02A 5n0wA-5d3oA:
undetectable		 5n0wA-5d3oA:
20.66
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.
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 5n0wA-5e7pA:
undetectable		 5n0wA-5e7pA:
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.
5e7s LON PROTEASE

(Meiothermus
taiwanensis) 		PF05362
(Lon_C) 		5 ILE A 687
VAL A 661
ALA A 686
MET A 683
VAL A 665
 None
 1.13A 5n0wA-5e7sA:
undetectable		 5n0wA-5e7sA:
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.
5ey5 LBCA-B

(synthetic
construct) 		PF00291
(PALP) 		5 GLY B 132
VAL B 143
TYR B 183
ALA B 170
VAL B 128
 None
 1.22A 5n0wA-5ey5B:
undetectable		 5n0wA-5ey5B:
23.57
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.
5fmi BCL-2 HOMOLOGOUS
ANTAGONIST/KILLER

(Homo sapiens) 		PF00452
(Bcl-2) 		5 HIS A 141
VAL A 142
PHE A 150
ALA A 115
VAL A 158
 None
 1.21A 5n0wA-5fmiA:
undetectable		 5n0wA-5fmiA:
19.28
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.
5fv0 ESSC

(Geobacillus
thermodenitrificans) 		PF01580
(FtsK_SpoIIIE) 		5 ILE A1282
HIS A1279
VAL A1408
PHE A1374
VAL A1373
 None
 1.12A 5n0wA-5fv0A:
undetectable		 5n0wA-5fv0A:
21.01
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.
5g5x SITE-2 PROTEASE

(Archaeoglobus
fulgidus) 		PF00571
(CBS) 		6 ILE A 278
GLY A 265
HIS A 263
VAL A 243
VAL A 242
MET A 296
 None
None
AMP  A1354 (-3.4A)
AMP  A1354 (-3.6A)
AMP  A1354 (-3.9A)
None
 1.42A 5n0wA-5g5xA:
undetectable		 5n0wA-5g5xA:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h6o PORPHOBILINOGEN
DEAMINASE

(Vibrio cholerae) 		no annotation 5 ILE A 104
GLY A 208
HIS A  86
VAL A  91
ALA A 231
 None
 1.14A 5n0wA-5h6oA:
2.2		 5n0wA-5h6oA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.10A 5n0wA-5i4eA:
1.9		 5n0wA-5i4eA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j69 ASTROTACTIN-2

(Homo sapiens) 		PF01823
(MACPF) 		5 ILE A 846
GLY A 850
HIS A 848
VAL A 742
ALA A 978
 None
 1.17A 5n0wA-5j69A:
undetectable		 5n0wA-5j69A:
20.00
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 5 ILE A  19
GLY A  18
TYR A 211
ALA A 213
VAL A 243
 SAM  A 501 (-4.5A)
None
SAM  A 501 (-4.7A)
SAM  A 501 (-3.6A)
SAM  A 501 (-4.0A)
 0.90A 5n0wA-5n0oA:
43.8		 5n0wA-5n0oA:
99.75
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 11 ILE A  19
TYR A  98
GLY A  99
HIS A 100
VAL A 103
PHE A 104
VAL A 105
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 (-4.3A)
SAM  A 501 (-4.7A)
SAM  A 501 (-3.6A)
SAM  A 501 (-4.0A)
 0.08A 5n0wA-5n0oA:
43.8		 5n0wA-5n0oA:
99.75
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 7 ILE A  19
TYR A  98
GLY A  99
HIS A 100
VAL A 103
VAL A 105
MET A 215
 SAM  A 501 (-4.5A)
SAM  A 501 (-4.7A)
SAM  A 501 (-3.5A)
None
SAM  A 501 (-4.4A)
None
None
 0.67A 5n0wA-5n0oA:
43.8		 5n0wA-5n0oA:
99.75
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.
5n9x ADENYLATION DOMAIN

(Streptomyces
sp.) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ILE A 313
TYR A 311
GLY A 312
HIS A 319
PHE A 344
 ATP  A 602 ( 4.3A)
ATP  A 602 (-4.9A)
THR  A 601 ( 3.5A)
THR  A 601 ( 4.8A)
None
 1.22A 5n0wA-5n9xA:
undetectable		 5n0wA-5n9xA:
24.67
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.
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
 0.96A 5n0wA-5up2B:
2.5		 5n0wA-5up2B:
18.74
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.
5uqd DUMPY: SHORTER THAN
WILD-TYPE

(Caenorhabditis
elegans) 		no annotation 5 ILE A1506
GLY A1505
PHE A1409
TYR A1335
ALA A1339
 None
 1.15A 5n0wA-5uqdA:
undetectable		 5n0wA-5uqdA:
19.83
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.
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 5n0wA-5uqeA:
undetectable		 5n0wA-5uqeA:
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.
5x9r CITRATE-SODIUM
SYMPORTER

(Klebsiella
pneumoniae) 		PF03390
(2HCT) 		5 ILE A  86
GLY A  66
PHE A  75
ALA A  90
MET A 341
 None
 1.20A 5n0wA-5x9rA:
undetectable		 5n0wA-5x9rA:
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.
5zi9 CYTOKININ RIBOSIDE
5'-MONOPHOSPHATE
PHOSPHORIBOHYDROLASE

(Streptomyces
coelicolor) 		no annotation 5 GLY A  97
VAL A 239
VAL A 243
PHE A 203
ALA A 115
 None
 1.22A 5n0wA-5zi9A:
2.5		 5n0wA-5zi9A:
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.
1crz TOLB PROTEIN

(Escherichia
coli) 		PF04052
(TolB_N)
PF07676
(PD40) 		4 SER A 183
ALA A 227
GLN A 314
THR A 270
 None
 1.35A 5n0wA-1crzA:
undetectable		 5n0wA-1crzA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gzs SOPE

(Salmonella
enterica) 		PF07487
(SopE_GEF) 		4 SER B  99
ALA B 100
GLN B 109
THR B 110
 None
 1.22A 5n0wA-1gzsB:
undetectable		 5n0wA-1gzsB:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ibj CYSTATHIONINE
BETA-LYASE

(Arabidopsis
thaliana) 		PF01053
(Cys_Met_Meta_PP) 		4 SER A 162
ALA A 159
GLN A 306
THR A 155
 None
 1.16A 5n0wA-1ibjA:
0.0		 5n0wA-1ibjA:
22.00
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.
1npc NEUTRAL PROTEASE

(Bacillus cereus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 SER A 135
ALA A  74
GLN A 120
THR A  42
 None
 1.26A 5n0wA-1npcA:
0.0		 5n0wA-1npcA:
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		4 SER A 158
ALA A 161
GLN A  41
THR A  90
 None
 1.27A 5n0wA-1o94A:
0.8		 5n0wA-1o94A:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pe9 PECTATE LYASE A

(Dickeya
chrysanthemi) 		PF00544
(Pec_lyase_C) 		4 SER A  11
ALA A  12
GLN A  20
THR A 197
 None
 1.38A 5n0wA-1pe9A:
0.0		 5n0wA-1pe9A:
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.
1pzx HYPOTHETICAL PROTEIN
APC36103

(Geobacillus
stearothermophilus) 		PF02645
(DegV) 		4 SER A 119
ALA A  86
GLN A  96
THR A  94
 None
 1.11A 5n0wA-1pzxA:
1.5		 5n0wA-1pzxA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qf7 PROTEIN (CATALASE
HPII)

(Escherichia
coli) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 SER A 175
ALA A 176
GLN A 308
THR A 178
 None
 1.28A 5n0wA-1qf7A:
undetectable		 5n0wA-1qf7A:
19.92
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.
1r1n FERRIC-IRON BINDING
PROTEIN

(Neisseria
gonorrhoeae) 		PF01547
(SBP_bac_1) 		4 SER A 139
ALA A 141
GLN A  58
THR A 226
 CNB  A 400 ( 3.8A)
CNB  A 400 ( 4.7A)
None
None
 1.20A 5n0wA-1r1nA:
undetectable		 5n0wA-1r1nA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s9c PEROXISOMAL
MULTIFUNCTIONAL
ENZYME TYPE 2

(Homo sapiens) 		PF01575
(MaoC_dehydratas)
PF13452
(MaoC_dehydrat_N) 		4 SER A 223
ALA A 224
GLN A  92
THR A  59
 None
 1.25A 5n0wA-1s9cA:
undetectable		 5n0wA-1s9cA:
21.63
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.
1vli SPORE COAT
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN
SPSE

(Bacillus
subtilis) 		PF03102
(NeuB)
PF08666
(SAF) 		4 SER A 130
ALA A 129
GLN A  52
THR A 108
 None
 0.98A 5n0wA-1vliA:
undetectable		 5n0wA-1vliA:
22.68
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.
1wsv AMINOMETHYLTRANSFERA
SE

(Homo sapiens) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 SER A 235
ALA A 232
GLN A 155
THR A  44
 SER  A 235 ( 0.0A)
ALA  A 232 ( 0.0A)
GLN  A 155 ( 0.6A)
THR  A  44 ( 0.8A)
 1.46A 5n0wA-1wsvA:
undetectable		 5n0wA-1wsvA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f00 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Escherichia
coli) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 SER A 138
ALA A 135
GLN A 322
THR A 324
 None
 1.23A 5n0wA-2f00A:
2.2		 5n0wA-2f00A:
24.61
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.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Staphylococcus
aureus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 SER A 246
ALA A 247
GLN A  91
THR A  10
 None
 1.07A 5n0wA-2gqdA:
undetectable		 5n0wA-2gqdA:
24.02
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.
2l5v PROTEASOMAL
UBIQUITIN RECEPTOR
ADRM1

(Homo sapiens) 		PF16550
(RPN13_C) 		4 SER A 290
ALA A 289
GLN A 337
THR A 332
 None
 1.50A 5n0wA-2l5vA:
undetectable		 5n0wA-2l5vA:
15.31
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.
2loz TENSIN-LIKE C1
DOMAIN-CONTAINING
PHOSPHATASE

(Homo sapiens) 		PF08416
(PTB) 		4 SER A1299
ALA A1298
GLN A1293
THR A1286
 None
 1.13A 5n0wA-2lozA:
undetectable		 5n0wA-2lozA:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lqg TALIN-1

(Mus musculus) 		no annotation 4 SER A1007
ALA A1004
GLN A1019
THR A 931
 None
 1.29A 5n0wA-2lqgA:
undetectable		 5n0wA-2lqgA:
19.19
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.
2nmp CYSTATHIONINE
GAMMA-LYASE

(Homo sapiens) 		PF01053
(Cys_Met_Meta_PP) 		4 SER A  89
ALA A  92
GLN A 240
THR A  96
 PLP  A 500 (-3.6A)
None
None
None
 1.42A 5n0wA-2nmpA:
2.1		 5n0wA-2nmpA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qvp UNCHARACTERIZED
PROTEIN

(Shewanella
amazonensis) 		PF04952
(AstE_AspA) 		4 SER A  78
ALA A  79
GLN A 249
THR A 245
 None
 1.42A 5n0wA-2qvpA:
1.8		 5n0wA-2qvpA:
21.53
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.
2xe5 OUTER MEMBRANE PORIN
C

(Escherichia
coli) 		PF00267
(Porin_1) 		4 SER A 180
ALA A 193
GLN A 122
THR A 101
 None
 1.47A 5n0wA-2xe5A:
undetectable		 5n0wA-2xe5A:
24.06
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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN

(Prochlorococcus
marinus) 		PF00142
(Fer4_NifH) 		4 SER A  54
ALA A  51
GLN A 262
THR A 247
 None
 1.00A 5n0wA-2ynmA:
undetectable		 5n0wA-2ynmA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a9g PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrobaculum
aerophilum) 		PF07995
(GSDH) 		4 SER A 282
ALA A 281
GLN A 217
THR A 231
 None
 1.42A 5n0wA-3a9gA:
undetectable		 5n0wA-3a9gA:
21.44
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.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1) 		no annotation 4 SER A 325
ALA A 324
GLN A  74
THR A  65
 None
 1.08A 5n0wA-3ahmA:
undetectable		 5n0wA-3ahmA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bi3 ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE ALKB

(Escherichia
coli) 		PF13532
(2OG-FeII_Oxy_2) 		4 SER A  42
ALA A  41
GLN A  84
THR A  62
 None
 1.25A 5n0wA-3bi3A:
undetectable		 5n0wA-3bi3A:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bop BETA-NEUREXIN 2D4

(Mus musculus) 		PF02210
(Laminin_G_2) 		4 SER A 125
ALA A 126
GLN A 227
THR A 121
 None
 1.45A 5n0wA-3bopA:
undetectable		 5n0wA-3bopA:
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.
3dwl ACTIN-RELATED
PROTEIN 2/3 COMPLEX
SUBUNIT 5

(Schizosaccharomyces
pombe) 		PF04699
(P16-Arc) 		4 SER G  45
ALA G  43
GLN G  54
THR G  58
 None
 1.45A 5n0wA-3dwlG:
undetectable		 5n0wA-3dwlG:
15.87
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.
3e4p C4-DICARBOXYLATE
TRANSPORT SENSOR
PROTEIN DCTB

(Sinorhizobium
meliloti) 		no annotation 4 SER A  70
ALA A  69
GLN A 304
THR A 293
 None
 1.12A 5n0wA-3e4pA:
undetectable		 5n0wA-3e4pA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ieh PUTATIVE
METALLOPEPTIDASE

(Shewanella
baltica) 		PF04952
(AstE_AspA) 		4 SER A  79
ALA A  80
GLN A 250
THR A 246
 None
None
PGE  A 288 ( 3.5A)
None
 1.48A 5n0wA-3iehA:
undetectable		 5n0wA-3iehA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kvn ESTERASE ESTA

(Pseudomonas
aeruginosa) 		no annotation 4 SER X 418
ALA X 393
GLN X 333
THR X 377
 None
 1.36A 5n0wA-3kvnX:
undetectable		 5n0wA-3kvnX:
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.
3kwl UNCHARACTERIZED
PROTEIN

(Helicobacter
pylori) 		no annotation 4 SER A 437
ALA A 435
GLN A 469
THR A 464
 None
 1.47A 5n0wA-3kwlA:
undetectable		 5n0wA-3kwlA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mw3 NEUREXIN-2-BETA

(Rattus
norvegicus) 		PF02210
(Laminin_G_2) 		4 SER A 125
ALA A 126
GLN A 257
THR A 121
 None
 1.43A 5n0wA-3mw3A:
undetectable		 5n0wA-3mw3A:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oka GDP-MANNOSE-DEPENDEN
T
ALPHA-(1-6)-PHOSPHAT
IDYLINOSITOL
MONOMANNOSIDE
MANNOSYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		4 SER A 116
ALA A  94
GLN A  22
THR A  11
 None
 1.45A 5n0wA-3okaA:
1.3		 5n0wA-3okaA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r77 PROBABLE
ISOCHORISMATASE

(Pseudomonas
fluorescens) 		PF00857
(Isochorismatase) 		4 SER A 126
ALA A 127
GLN A  78
THR A  76
 None
None
QLI  A 500 (-3.0A)
None
 1.45A 5n0wA-3r77A:
1.2		 5n0wA-3r77A:
20.68
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.
3ugg SUCROSE:(SUCROSE/FRU
CTAN)
6-FRUCTOSYLTRANSFERA
SE

(Pachysandra
terminalis) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 SER A 459
ALA A 458
GLN A  18
THR A 507
 None
 1.35A 5n0wA-3uggA:
undetectable		 5n0wA-3uggA:
22.58
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.
3vrd FLAVOCYTOCHROME C
HEME SUBUNIT

(Thermochromatium
tepidum) 		no annotation 4 SER A 172
ALA A 171
GLN A 124
THR A 126
 None
 1.25A 5n0wA-3vrdA:
undetectable		 5n0wA-3vrdA:
18.31
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.
3wiw GLYCOSYL HYDROLASE
FAMILY 88

(Pedobacter
heparinus) 		PF07470
(Glyco_hydro_88) 		4 SER A 314
ALA A 315
GLN A 322
THR A 256
 None
 1.38A 5n0wA-3wiwA:
undetectable		 5n0wA-3wiwA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b52 BACILLOLYSIN

(Paenibacillus
polymyxa) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 SER A 127
ALA A  66
GLN A 112
THR A  37
 None
 1.26A 5n0wA-4b52A:
undetectable		 5n0wA-4b52A:
19.76
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 SER B2234
ALA B2235
GLN B2221
THR B2262
 None
 1.27A 5n0wA-4bedB:
undetectable		 5n0wA-4bedB:
13.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bv4 PROTEIN TOLL,
VARIABLE LYMPHOCYTE
RECEPTOR B CHIMERA

(Drosophila
melanogaster;
Eptatretus
burgeri) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		4 SER R 384
ALA R 387
GLN R 365
THR R 389
 None
 1.50A 5n0wA-4bv4R:
undetectable		 5n0wA-4bv4R:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cxh ELONGATION FACTOR 1A

(Oryctolagus
cuniculus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		4 SER A 337
ALA A 338
GLN A 378
THR A 340
 G  Y  53 ( 2.3A)
None
None
U  Y  52 ( 4.3A)
 1.20A 5n0wA-4cxhA:
undetectable		 5n0wA-4cxhA:
23.37
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.
4e54 DNA DAMAGE-BINDING
PROTEIN 2

(Homo sapiens) 		PF00400
(WD40) 		4 SER B 409
ALA B 408
GLN B 105
THR B 406
 None
 1.43A 5n0wA-4e54B:
undetectable		 5n0wA-4e54B:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ep6 CYTOCHROME P450-LIKE
PROTEIN XPLA

(Rhodococcus
rhodochrous) 		PF00067
(p450) 		4 SER A 240
ALA A 237
GLN A 251
THR A 384
 None
HEM  A 601 (-3.1A)
None
None
 1.28A 5n0wA-4ep6A:
undetectable		 5n0wA-4ep6A:
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.
4gz7 DIHYDROPYRIMIDINASE

(Tetraodon
nigroviridis) 		PF01979
(Amidohydro_1) 		4 SER A 249
ALA A 250
GLN A 227
THR A 226
 None
 1.43A 5n0wA-4gz7A:
undetectable		 5n0wA-4gz7A:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hb4 EXPORTIN-1

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		4 SER C1016
ALA C1017
GLN C1038
THR C1031
 None
 1.41A 5n0wA-4hb4C:
undetectable		 5n0wA-4hb4C:
18.21
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.
4hu8 GH10 XYLANASE

(Globitermes
brachycerastes) 		PF00331
(Glyco_hydro_10)
PF02368
(Big_2) 		4 SER A  59
ALA A  58
GLN A  31
THR A 105
 None
 1.22A 5n0wA-4hu8A:
undetectable		 5n0wA-4hu8A:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hv4 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Yersinia pestis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 SER A 138
ALA A 135
GLN A 322
THR A 324
 None
 1.21A 5n0wA-4hv4A:
2.2		 5n0wA-4hv4A:
24.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED

(Xanthomonas
oryzae) 		PF01053
(Cys_Met_Meta_PP) 		4 SER B  87
ALA B  90
GLN B 239
THR B  94
 LLP  B 210 ( 3.7A)
None
None
None
 1.46A 5n0wA-4iyoB:
1.4		 5n0wA-4iyoB:
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.
4kf9 GLUTATHIONE
S-TRANSFERASE
PROTEIN

(Ralstonia
solanacearum) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 SER A 110
ALA A 107
GLN A 159
THR A 157
 None
 1.05A 5n0wA-4kf9A:
undetectable		 5n0wA-4kf9A:
23.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m9a ACYL-COA
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 SER A 324
ALA A 323
GLN A 318
THR A 299
 None
 1.39A 5n0wA-4m9aA:
undetectable		 5n0wA-4m9aA:
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.
4mpt PUTATIVE
LEU/ILE/VAL-BINDING
PROTEIN

(Bordetella
pertussis) 		PF13458
(Peripla_BP_6) 		4 SER A 234
ALA A 233
GLN A 243
THR A 253
 None
 1.31A 5n0wA-4mptA:
3.8		 5n0wA-4mptA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis) 		PF00497
(SBP_bac_3) 		4 SER A 482
ALA A 481
GLN A 461
THR A 399
 None
 1.38A 5n0wA-4q0cA:
undetectable		 5n0wA-4q0cA:
22.49
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.
4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER

(Escherichia
coli) 		PF16168
(AIDA) 		4 SER A 135
ALA A 136
GLN A 166
THR A 139
 289  A 434 (-1.4A)
None
None
None
 1.24A 5n0wA-4q1qA:
undetectable		 5n0wA-4q1qA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER

(Escherichia
coli) 		PF16168
(AIDA) 		4 SER A 154
ALA A 155
GLN A 185
THR A 158
 289  A 410 ( 1.3A)
None
None
None
 1.21A 5n0wA-4q1qA:
undetectable		 5n0wA-4q1qA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER

(Escherichia
coli) 		PF16168
(AIDA) 		4 SER A 230
ALA A 231
GLN A 260
THR A 234
 289  A 416 (-1.3A)
None
None
None
 1.29A 5n0wA-4q1qA:
undetectable		 5n0wA-4q1qA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rf3 NADPH DEPENDENT
R-SPECIFIC ALCOHOL
DEHYDROGENASE

(Lactobacillus
kefiri) 		PF13561
(adh_short_C2) 		4 SER A 169
ALA A 170
GLN A 127
THR A 122
 None
 1.28A 5n0wA-4rf3A:
undetectable		 5n0wA-4rf3A:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rvw ZNUD

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 SER A 714
ALA A 711
GLN A 664
THR A 674
 None
 1.41A 5n0wA-4rvwA:
undetectable		 5n0wA-4rvwA:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v39 SIALYLTRANSFERASE

(Pasteurella
dagmatis) 		PF11477
(PM0188) 		4 SER A 328
ALA A 327
GLN A 257
THR A 345
 None
 1.38A 5n0wA-4v39A:
undetectable		 5n0wA-4v39A:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wzb NITROGENASE IRON
PROTEIN 1

(Azotobacter
vinelandii) 		PF00142
(Fer4_NifH) 		4 SER E  44
ALA E  42
GLN E  54
THR E  56
 None
 1.27A 5n0wA-4wzbE:
undetectable		 5n0wA-4wzbE:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xcw MOLYBDOPTERIN
ADENYLYLTRANSFERASE

(Helicobacter
pylori) 		PF00994
(MoCF_biosynth) 		4 SER A  12
ALA A  11
GLN A 119
THR A  84
 None
 1.32A 5n0wA-4xcwA:
undetectable		 5n0wA-4xcwA:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xea PEPTIDASE M16 DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 SER A 310
ALA A 311
GLN A 314
THR A 322
 None
 1.37A 5n0wA-4xeaA:
undetectable		 5n0wA-4xeaA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xwj PHOSPHOCARRIER
PROTEIN HPR

(Escherichia
coli) 		PF00381
(PTS-HPr) 		4 SER B  43
ALA B  42
GLN B  51
THR B  52
 None
 1.10A 5n0wA-4xwjB:
undetectable		 5n0wA-4xwjB:
13.50
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.
5a3y THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 SER A 134
ALA A  73
GLN A 119
THR A  41
 None
 1.24A 5n0wA-5a3yA:
undetectable		 5n0wA-5a3yA:
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.
5ejy MYOSIN-I HEAVY CHAIN

(Dictyostelium
discoideum) 		PF00784
(MyTH4) 		4 SER A 206
ALA A 203
GLN A 191
THR A 189
 None
 1.34A 5n0wA-5ejyA:
undetectable		 5n0wA-5ejyA:
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.
5f8p ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO

(Homo sapiens) 		PF12933
(FTO_NTD)
PF12934
(FTO_CTD) 		4 SER A 240
ALA A 241
GLN A 147
THR A 150
 None
 1.35A 5n0wA-5f8pA:
undetectable		 5n0wA-5f8pA:
20.28
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.
5fp1 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 SER A 319
ALA A 320
GLN A 264
THR A 322
 None
 1.33A 5n0wA-5fp1A:
undetectable		 5n0wA-5fp1A:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fvn OMPC PORIN

(Enterobacter
cloacae) 		PF00267
(Porin_1) 		4 SER A 179
ALA A 193
GLN A 122
THR A 101
 None
 1.48A 5n0wA-5fvnA:
undetectable		 5n0wA-5fvnA:
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.
5fwx GLUTAMATE RECEPTOR 4

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		4 SER B 277
ALA B 278
GLN B 242
THR B 337
 None
 1.38A 5n0wA-5fwxB:
3.7		 5n0wA-5fwxB:
20.81
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.
5mog PHYTOENE
DEHYDROGENASE,
CHLOROPLASTIC/CHROMO
PLASTIC

(Oryza sativa) 		PF01593
(Amino_oxidase) 		4 SER A 540
ALA A 539
GLN A 292
THR A 508
 FAD  A 600 ( 4.3A)
None
None
None
 1.35A 5n0wA-5mogA:
undetectable		 5n0wA-5mogA:
22.91
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.
5n0o PEPTIDE
N-METHYLTRANSFERASE

(Omphalotus
olearius) 		no annotation 4 SER A 129
ALA A 130
GLN A 172
THR A 245
 SAM  A 501 (-4.7A)
SAM  A 501 (-3.2A)
HSE  A 504 ( 3.3A)
SAM  A 501 (-3.6A)
 0.11A 5n0wA-5n0oA:
43.8		 5n0wA-5n0oA:
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.
5nen LIPASE C

(Serratia
marcescens) 		no annotation 4 SER A 256
ALA A 255
GLN A  88
THR A  92
 None
 1.35A 5n0wA-5nenA:
undetectable		 5n0wA-5nenA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nit GLUCOSE OXIDASE

(Aspergillus
niger) 		no annotation 4 SER A 191
ALA A 188
GLN A 481
THR A 482
 DIO  A 614 (-4.5A)
DIO  A 614 (-3.9A)
None
None
 1.26A 5n0wA-5nitA:
undetectable		 5n0wA-5nitA:
22.55
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.
5o9c OSMOPORIN OMP36

(Klebsiella
aerogenes) 		no annotation 4 SER C 180
ALA C 194
GLN C 123
THR C 102
 None
 1.45A 5n0wA-5o9cC:
undetectable		 5n0wA-5o9cC:
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.
5tu0 LMO2125 PROTEIN

(Listeria
monocytogenes) 		PF13416
(SBP_bac_8) 		4 SER A 248
ALA A 249
GLN A 244
THR A 190
 None
 1.18A 5n0wA-5tu0A:
undetectable		 5n0wA-5tu0A:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uj1 DNA TOPOISOMERASE 1

(Mycobacterium
tuberculosis) 		no annotation 4 SER A 353
ALA A 354
GLN A 361
THR A 427
 None
 1.24A 5n0wA-5uj1A:
2.9		 5n0wA-5uj1A:
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.
5uja BOVINE MULTIDRUG
RESISTANCE PROTEIN 1
(MRP1),MULTIDRUG
RESISTANCE-ASSOCIATE
D PROTEIN 1

(Bos taurus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 SER A1225
ALA A1226
GLN A 580
THR A 999
 None
 1.44A 5n0wA-5ujaA:
undetectable		 5n0wA-5ujaA:
14.96
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.
5vlq LOC100158544 PROTEIN

(Xenopus
tropicalis) 		PF03133
(TTL) 		4 SER A 524
ALA A 523
GLN A 520
THR A 144
 None
None
ANP  A 601 (-3.3A)
None
 1.41A 5n0wA-5vlqA:
undetectable		 5n0wA-5vlqA:
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.
5xgr SPIKE PROTEIN S1

(Pipistrellus
bat coronavirus
HKU5) 		PF09408
(Spike_rec_bind) 		4 SER A 149
ALA A 148
GLN A 157
THR A 166
 None
 1.22A 5n0wA-5xgrA:
undetectable		 5n0wA-5xgrA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cjb CYSTATHIONINE
BETA-LYASE

(Legionella
pneumophila) 		no annotation 4 SER A  76
ALA A  79
GLN A 228
THR A  83
 LLP  A 199 ( 3.5A)
None
None
None
 1.44A 5n0wA-6cjbA:
2.3		 5n0wA-6cjbA:
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.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 4 SER A 346
ALA A 347
GLN A 389
THR A 390
 None
 1.44A 5n0wA-6ez8A:
undetectable		 5n0wA-6ez8A:
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.
6fuy VINCULIN

(Homo sapiens) 		no annotation 4 SER A 207
ALA A 208
GLN A 674
THR A 233
 None
 1.33A 5n0wA-6fuyA:
undetectable		 5n0wA-6fuyA:
undetectable