SIMILAR PATTERNS OF AMINO ACIDS FOR 5N4I_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.
1c3n AGGLUTININ

(Helianthus
tuberosus) 		PF01419
(Jacalin) 		5 ILE A 141
GLY A 142
VAL A 144
VAL A 145
ILE A  35
 None
 1.05A 5n4iA-1c3nA:
undetectable		 5n4iA-1c3nA:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f59 IMPORTIN BETA-1

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 ILE A 157
VAL A 134
VAL A 137
ILE A 116
ALA A 117
 None
 0.89A 5n4iA-1f59A:
0.1		 5n4iA-1f59A:
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.
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
 1.08A 5n4iA-1g8xA:
0.0		 5n4iA-1g8xA:
17.25
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.
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)
 1.01A 5n4iA-1h79A:
0.7		 5n4iA-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.
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
 1.04A 5n4iA-1jx2A:
0.3		 5n4iA-1jx2A:
16.54
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.
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
 1.06A 5n4iA-1m0uA:
undetectable		 5n4iA-1m0uA:
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.
1nex CDC4 PROTEIN

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12937
(F-box-like) 		5 ILE B 471
VAL B 466
ILE B 435
ALA B 431
VAL B 447
 None
 1.10A 5n4iA-1nexB:
undetectable		 5n4iA-1nexB:
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.
1qgr PROTEIN (IMPORTIN
BETA SUBUNIT)

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 ILE A 157
VAL A 134
VAL A 137
ILE A 116
ALA A 117
 None
 0.89A 5n4iA-1qgrA:
undetectable		 5n4iA-1qgrA:
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.
1qz9 KYNURENINASE

(Pseudomonas
fluorescens) 		PF00266
(Aminotran_5) 		6 ILE A 398
GLY A 396
VAL A 321
PHE A 317
ILE A 360
ALA A 358
 None
 1.43A 5n4iA-1qz9A:
1.8		 5n4iA-1qz9A:
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.
1s7g NAD-DEPENDENT
DEACETYLASE 2

(Archaeoglobus
fulgidus) 		PF02146
(SIR2) 		5 VAL A 189
PHE A  21
VAL A  20
ILE A  32
ALA A  28
 None
None
None
1PE  A 504 ( 4.7A)
NAD  A 703 ( 3.7A)
 0.95A 5n4iA-1s7gA:
3.6		 5n4iA-1s7gA:
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.
1tz9 MANNONATE
DEHYDRATASE

(Enterococcus
faecalis) 		PF03786
(UxuA) 		5 ILE A 202
GLY A  95
ILE A 194
MET A 204
VAL A 193
 None
 1.08A 5n4iA-1tz9A:
undetectable		 5n4iA-1tz9A:
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.
1u7g PROBABLE AMMONIUM
TRANSPORTER

(Escherichia
coli) 		PF00909
(Ammonium_transp) 		6 GLY A 322
HIS A 318
VAL A 317
ILE A 286
MET A 328
VAL A 290
 None
NH3  A 401 ( 3.9A)
None
None
None
None
 1.48A 5n4iA-1u7gA:
undetectable		 5n4iA-1u7gA:
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.
1wac P2 PROTEIN

(Pseudomonas
virus phi6) 		PF00680
(RdRP_1) 		5 GLY A 494
PHE A 496
ILE A 513
ALA A 512
VAL A 515
 None
 1.09A 5n4iA-1wacA:
undetectable		 5n4iA-1wacA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wkb LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		5 GLY A 237
VAL A 412
TYR A 401
ILE A 400
ALA A 329
 None
None
SO4  A 907 (-4.7A)
None
None
 0.98A 5n4iA-1wkbA:
undetectable		 5n4iA-1wkbA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wle SERYL-TRNA
SYNTHETASE

(Bos taurus) 		PF00587
(tRNA-synt_2b) 		5 ILE A 197
GLY A 216
ILE A 191
ALA A 192
VAL A 458
 None
 1.06A 5n4iA-1wleA:
undetectable		 5n4iA-1wleA:
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.
1zkd DUF185

(Rhodopseudomonas
palustris) 		PF02636
(Methyltransf_28) 		5 ILE A  87
HIS A 140
VAL A 146
ILE A 240
ALA A 155
 None
 0.96A 5n4iA-1zkdA:
undetectable		 5n4iA-1zkdA:
23.48
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.
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
 1.08A 5n4iA-2ashA:
undetectable		 5n4iA-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
 0.97A 5n4iA-2b3xA:
undetectable		 5n4iA-2b3xA:
18.72
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.
2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA

(Escherichia
coli) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 ILE A1142
VAL A1280
ILE A1181
ALA A1180
VAL A1191
 None
 1.06A 5n4iA-2bruA:
2.9		 5n4iA-2bruA:
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.
2c5q RRAA-LIKE PROTEIN
YER010C

(Saccharomyces
cerevisiae) 		PF03737
(RraA-like) 		5 ILE A 169
PHE A  54
ILE A  75
ALA A  49
VAL A 116
 CME  A 170 ( 3.9A)
None
None
CME  A 170 ( 3.7A)
None
 0.99A 5n4iA-2c5qA:
undetectable		 5n4iA-2c5qA:
20.24
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.
2cyj HYPOTHETICAL PROTEIN
PH1505

(Pyrococcus
horikoshii) 		PF04430
(DUF498) 		5 ILE A 113
VAL A  84
PHE A  61
TYR A  25
ILE A  24
 None
 1.08A 5n4iA-2cyjA:
undetectable		 5n4iA-2cyjA:
15.82
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.
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
 1.00A 5n4iA-2e28A:
undetectable		 5n4iA-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.
2k7n PEPTIDYL-PROLYL
CIS-TRANS
ISOMERASE-LIKE 1

(Homo sapiens) 		PF00160
(Pro_isomerase) 		5 GLY A  65
PHE A  39
TYR A  78
ILE A  77
ALA A  75
 None
 0.98A 5n4iA-2k7nA:
undetectable		 5n4iA-2k7nA:
17.66
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.
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 5n4iA-2nq9A:
undetectable		 5n4iA-2nq9A:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.01A 5n4iA-2ntjA:
undetectable		 5n4iA-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.
2od4 HYPOTHETICAL PROTEIN

(uncultured
marine organism) 		no annotation 5 ILE A  60
VAL A  79
VAL A  82
ILE A  39
ALA A  43
 CL  A 101 ( 4.0A)
None
None
None
None
 1.07A 5n4iA-2od4A:
undetectable		 5n4iA-2od4A:
15.30
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.
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
 1.06A 5n4iA-2p8jA:
undetectable		 5n4iA-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.
2qps ALPHA-AMYLASE TYPE A
ISOZYME

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		5 ILE A 368
VAL A 385
PHE A 390
ILE A 342
VAL A 401
 None
 0.96A 5n4iA-2qpsA:
undetectable		 5n4iA-2qpsA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r3u PROTEASE DEGS

(Escherichia
coli) 		PF13365
(Trypsin_2) 		6 ILE A 215
GLY A 203
VAL A  59
VAL A  61
ILE A 244
ALA A 241
 None
 1.26A 5n4iA-2r3uA:
undetectable		 5n4iA-2r3uA:
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.
2r8w AGR_C_1641P

(Agrobacterium
fabrum) 		PF00701
(DHDPS) 		5 ILE A 289
PHE A 273
ILE A 295
ALA A 293
VAL A 318
 None
 1.08A 5n4iA-2r8wA:
undetectable		 5n4iA-2r8wA:
24.94
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.
2uur COLLAGEN ALPHA-1(IX)
CHAIN

(Homo sapiens) 		no annotation 5 ILE A 121
PHE A 172
VAL A 173
TYR A  88
ILE A 217
 None
 0.87A 5n4iA-2uurA:
undetectable		 5n4iA-2uurA:
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.
2wcq TNF-ALPHA INDUCER
PROTEIN

(Helicobacter
pylori) 		PF16753
(Tipalpha) 		5 GLY A 155
HIS A 157
VAL A 166
VAL A 170
ILE A 111
 None
 0.95A 5n4iA-2wcqA:
undetectable		 5n4iA-2wcqA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wyo GLUTATHIONE
SYNTHETASE

(Trypanosoma
brucei) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		5 ILE A 318
VAL A 260
PHE A 323
ILE A 350
ALA A 349
 None
 1.08A 5n4iA-2wyoA:
undetectable		 5n4iA-2wyoA:
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.
2yn1 LGPCA THIOREDOXIN

(synthetic
construct) 		PF00085
(Thioredoxin) 		5 ILE A   3
VAL A  57
PHE A  26
ILE A  44
ALA A  45
 None
 1.07A 5n4iA-2yn1A:
undetectable		 5n4iA-2yn1A:
11.75
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.
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 5n4iA-3aeqB:
1.5		 5n4iA-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
 1.01A 5n4iA-3auoA:
undetectable		 5n4iA-3auoA:
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.
3c26 PUTATIVE
ACETYLTRANSFERASE
TA0821

(Thermoplasma
acidophilum) 		PF00583
(Acetyltransf_1) 		5 ILE A 238
VAL A 242
TYR A 210
ILE A 209
MET A 234
 None
 1.04A 5n4iA-3c26A:
undetectable		 5n4iA-3c26A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.09A 5n4iA-3c7mA:
undetectable		 5n4iA-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
 0.97A 5n4iA-3cz5A:
2.5		 5n4iA-3cz5A:
17.32
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.
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 5n4iA-3fipA:
undetectable		 5n4iA-3fipA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gio PUTATIVE
UNCHARACTERIZED
PROTEIN

(Helicobacter
pylori) 		PF16753
(Tipalpha) 		5 GLY A 155
HIS A 157
VAL A 166
VAL A 170
ILE A 111
 None
 1.04A 5n4iA-3gioA:
undetectable		 5n4iA-3gioA:
17.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hs0 COBRA VENOM FACTOR
COBRA VENOM FACTOR

(Naja kaouthia;
Naja kaouthia) 		PF00207
(A2M)
PF01759
(NTR)
PF07677
(A2M_recep) 		5 ILE B 941
TYR C1268
ILE C1255
MET C1301
VAL C1291
 None
 1.04A 5n4iA-3hs0B:
undetectable		 5n4iA-3hs0B:
21.82
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA

(Moorella
thermoacetica) 		PF03063
(Prismane) 		5 GLY A 244
HIS A 246
ILE A 106
ALA A 590
VAL A 237
 None
 1.07A 5n4iA-3i04A:
undetectable		 5n4iA-3i04A:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iau THREONINE DEAMINASE

(Solanum
lycopersicum) 		PF00291
(PALP) 		5 ILE A 222
GLY A 219
VAL A 276
VAL A 273
ILE A 239
 None
LLP  A  91 ( 3.5A)
None
None
None
 0.87A 5n4iA-3iauA:
undetectable		 5n4iA-3iauA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.85A 5n4iA-3iauA:
undetectable		 5n4iA-3iauA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.02A 5n4iA-3im8A:
undetectable		 5n4iA-3im8A:
23.99
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.
3ipw HYDROLASE TATD
FAMILY PROTEIN

(Entamoeba
histolytica) 		PF01026
(TatD_DNase) 		5 ILE A 273
GLY A 236
ILE A 221
MET A 274
VAL A 197
 None
 1.04A 5n4iA-3ipwA:
undetectable		 5n4iA-3ipwA:
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.
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
 1.05A 5n4iA-3j04A:
undetectable		 5n4iA-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
 1.04A 5n4iA-3j9qA:
undetectable		 5n4iA-3j9qA:
22.45
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.
3jsa HOMOSERINE
DEHYDROGENASE

(Thermoplasma
volcanium) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 ILE A   8
GLY A  10
PHE A 103
ILE A  86
VAL A 115
 None
NAD  A 501 (-3.4A)
None
None
None
 0.96A 5n4iA-3jsaA:
undetectable		 5n4iA-3jsaA:
23.20
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.
3l5o UNCHARACTERIZED
PROTEIN FROM DUF364
FAMILY

(Desulfitobacterium
hafniense) 		PF04016
(DUF364)
PF13938
(DUF4213) 		5 GLY A 129
HIS A 130
PHE A 113
ILE A 196
VAL A 171
 CL  A 301 ( 3.9A)
None
EDO  A 311 ( 4.8A)
None
None
 1.05A 5n4iA-3l5oA:
2.2		 5n4iA-3l5oA:
22.28
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.
3lgi PROTEASE DEGS

(Escherichia
coli) 		PF13365
(Trypsin_2) 		6 ILE A 215
GLY A 202
VAL A  59
VAL A  61
ILE A 244
ALA A 241
 None
 1.45A 5n4iA-3lgiA:
undetectable		 5n4iA-3lgiA:
20.34
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.
3lgi PROTEASE DEGS

(Escherichia
coli) 		PF13365
(Trypsin_2) 		6 ILE A 215
GLY A 203
VAL A  59
VAL A  61
ILE A 244
ALA A 241
 None
 1.30A 5n4iA-3lgiA:
undetectable		 5n4iA-3lgiA:
20.34
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.
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
 1.09A 5n4iA-3ptwA:
undetectable		 5n4iA-3ptwA:
20.58
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.
3rva ORGANOPHOSPHORUS
ACID ANHYDROLASE

(Alteromonas
macleodii) 		PF00557
(Peptidase_M24) 		5 ILE A 337
GLY A 338
PHE A 368
ILE A 306
ALA A 302
 None
 1.09A 5n4iA-3rvaA:
undetectable		 5n4iA-3rvaA:
19.80
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.
3toe DNA/RNA-BINDING
PROTEIN ALBA

(Methanothermobacter
thermautotrophicus) 		PF01918
(Alba) 		5 ILE A   9
VAL A   6
VAL A  32
ILE A  41
ALA A  40
 None
 1.08A 5n4iA-3toeA:
2.9		 5n4iA-3toeA:
12.01
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.
3uuf LIP1, SECRETORY
LIPASE (FAMILY 3)

(Malassezia
globosa) 		PF01764
(Lipase_3) 		5 GLY A 173
HIS A 170
VAL A  52
ILE A 184
ALA A 181
 None
 1.03A 5n4iA-3uufA:
undetectable		 5n4iA-3uufA:
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.
3v34 RIBONUCLEASE ZC3H12A

(Homo sapiens) 		PF11977
(RNase_Zc3h12a) 		6 ILE A 175
VAL A 209
PHE A 178
VAL A 179
ILE A 239
VAL A 241
 None
 1.33A 5n4iA-3v34A:
undetectable		 5n4iA-3v34A:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wqo UNCHARACTERIZED
PROTEIN MJ1311

(Methanocaldococcus
jannaschii) 		PF01261
(AP_endonuc_2) 		5 ILE A 156
GLY A 157
HIS A 218
ILE A 148
ALA A 149
 None
 0.93A 5n4iA-3wqoA:
undetectable		 5n4iA-3wqoA:
20.38
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.
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
 0.96A 5n4iA-4a63B:
undetectable		 5n4iA-4a63B:
20.10
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.
4ade SUCCINYLORNITHINE
TRANSAMINASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		6 GLY A 334
PHE A 315
VAL A 316
ILE A 367
ALA A 368
VAL A 373
 None
 1.33A 5n4iA-4adeA:
undetectable		 5n4iA-4adeA:
23.77
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.
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
 1.03A 5n4iA-4bb9A:
2.5		 5n4iA-4bb9A:
21.79
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.
4ccw CARBOXYL ESTERASE NP

(Bacillus
subtilis) 		PF12697
(Abhydrolase_6) 		5 ILE A 152
GLY A 133
HIS A 135
PHE A 225
ILE A 264
 None
 0.96A 5n4iA-4ccwA:
undetectable		 5n4iA-4ccwA:
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.
4cuk D-LACTATE
DEHYDROGENASE

(Salmonella
enterica) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		6 ILE A 238
GLY A 235
VAL A 259
PHE A 292
ILE A 252
ALA A 243
 None
 1.15A 5n4iA-4cukA:
undetectable		 5n4iA-4cukA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4egf L-XYLULOSE REDUCTASE

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 GLY A 189
HIS A 188
VAL A 141
ILE A 150
VAL A  97
 None
 0.99A 5n4iA-4egfA:
2.4		 5n4iA-4egfA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.00A 5n4iA-4ituA:
undetectable		 5n4iA-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.
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
 1.07A 5n4iA-4lc9A:
2.1		 5n4iA-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.
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
 1.05A 5n4iA-4o7dA:
undetectable		 5n4iA-4o7dA:
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.
4piv FATTY ACID SYNTHASE

(Homo sapiens) 		PF08242
(Methyltransf_12)
PF08659
(KR) 		5 ILE A1946
VAL A2018
PHE A2016
ILE A1956
ALA A1952
 None
 0.95A 5n4iA-4pivA:
2.2		 5n4iA-4pivA:
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.
4rmf ASPARTATE--TRNA(ASP/
ASN) LIGASE

(Mycolicibacterium
smegmatis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 ILE A 531
GLY A 484
ILE A 246
MET A 233
VAL A 250
 None
 0.98A 5n4iA-4rmfA:
undetectable		 5n4iA-4rmfA:
22.26
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.
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
 1.07A 5n4iA-4umvA:
2.3		 5n4iA-4umvA:
23.45
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.
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
 1.09A 5n4iA-4unfA:
undetectable		 5n4iA-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 375
ILE A 281
ALA A 282
 None
 0.89A 5n4iA-4wseA:
undetectable		 5n4iA-4wseA:
19.39
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.
4wzw PUMILIO
DOMAIN-CONTAINING
PROTEIN KIAA0020

(Homo sapiens) 		PF08144
(CPL) 		5 ILE A 432
GLY A 438
HIS A 401
PHE A 408
ILE A 426
 None
 1.06A 5n4iA-4wzwA:
undetectable		 5n4iA-4wzwA:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.06A 5n4iA-4xinA:
undetectable		 5n4iA-4xinA:
15.37
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.
4zk6 QUINOLINATE SYNTHASE
A

(Pyrococcus
horikoshii) 		PF02445
(NadA) 		5 VAL A 164
ILE A 292
ALA A 291
MET A 295
VAL A 110
 None
 1.08A 5n4iA-4zk6A:
1.9		 5n4iA-4zk6A:
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.
5a29 EXOPOLYGALACTURONATE
LYASE

(Vibrio
vulnificus) 		PF06917
(Pectate_lyase_2) 		5 GLY A 193
HIS A 192
TYR A 125
ILE A 118
ALA A 119
 None
MN  A 601 ( 3.3A)
None
None
None
 0.90A 5n4iA-5a29A:
undetectable		 5n4iA-5a29A:
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.
5c1m MU-TYPE OPIOID
RECEPTOR

(Mus musculus) 		PF00001
(7tm_1) 		5 GLY A 253
VAL A 282
VAL A 286
ILE A 167
VAL A 163
 None
None
None
None
P6G  A 406 ( 4.7A)
 0.97A 5n4iA-5c1mA:
undetectable		 5n4iA-5c1mA:
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.
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
 1.05A 5n4iA-5d3oA:
undetectable		 5n4iA-5d3oA:
21.22
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.
5e68 S-RIBOSYLHOMOCYSTEIN
E LYASE

(Salmonella
enterica) 		PF02664
(LuxS) 		5 GLY A  52
HIS A  54
PHE A  87
ILE A 146
ALA A 143
 None
ZN  A 201 (-3.2A)
None
None
None
 0.96A 5n4iA-5e68A:
undetectable		 5n4iA-5e68A:
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.
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
 1.03A 5n4iA-5e7pA:
undetectable		 5n4iA-5e7pA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fv0 ESSC

(Geobacillus
thermodenitrificans) 		PF01580
(FtsK_SpoIIIE) 		5 ILE A1282
HIS A1279
VAL A1408
PHE A1374
VAL A1373
 None
 1.10A 5n4iA-5fv0A:
2.9		 5n4iA-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
 1.44A 5n4iA-5g5xA:
undetectable		 5n4iA-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.
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 5n4iA-5i4eA:
undetectable		 5n4iA-5i4eA:
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.
5l8s AMINO ACYL PEPTIDASE

(Sporosarcina
psychrophila) 		PF00326
(Peptidase_S9) 		5 ILE A 292
GLY A 307
HIS A 314
VAL A 312
ILE A 271
 None
 0.97A 5n4iA-5l8sA:
undetectable		 5n4iA-5l8sA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mso CARBOXYLIC ACID
REDUCTASE

(Mycobacterium
marinum) 		PF07993
(NAD_binding_4) 		5 ILE A1006
VAL A1156
ILE A1085
ALA A1010
VAL A1075
 None
 0.92A 5n4iA-5msoA:
undetectable		 5n4iA-5msoA:
17.74
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
TYR A 211
ILE A 212
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)
 0.88A 5n4iA-5n0oA:
44.5		 5n4iA-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 11 ILE A  19
GLY A  99
HIS A 100
VAL A 103
PHE A 104
VAL A 105
PHE A 171
TYR A 211
ILE A 212
ALA A 213
VAL A 243
 SAM  A 501 (-4.5A)
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 (-4.7A)
SAM  A 501 (-3.6A)
SAM  A 501 (-4.0A)
 0.16A 5n4iA-5n0oA:
44.5		 5n4iA-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 6 ILE A  19
GLY A  99
HIS A 100
VAL A 103
VAL A 105
MET A 215
 SAM  A 501 (-4.5A)
SAM  A 501 (-3.5A)
None
SAM  A 501 (-4.4A)
None
None
 0.68A 5n4iA-5n0oA:
44.5		 5n4iA-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.
5oji DEHYDROGENASE/REDUCT
ASE SDR FAMILY
MEMBER 4

(Caenorhabditis
elegans) 		no annotation 5 GLY A  23
VAL A  93
ILE A  51
ALA A  50
VAL A  62
 None
 1.08A 5n4iA-5ojiA:
2.0		 5n4iA-5ojiA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tgf UNCHARACTERIZED
PROTEIN

(Bacteroides
dorei) 		PF00144
(Beta-lactamase) 		5 GLY A 201
VAL A 189
TYR A 210
ILE A 307
VAL A  54
 GOL  A 401 (-3.4A)
None
None
None
None
 1.08A 5n4iA-5tgfA:
undetectable		 5n4iA-5tgfA:
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.
5tum TETRACYCLINE
DESTRUCTASE TET(56)

(Legionella
longbeachae) 		PF01494
(FAD_binding_3) 		5 ILE A  51
GLY A  50
VAL A  48
TYR A 310
ILE A 311
 None
 0.96A 5n4iA-5tumA:
undetectable		 5n4iA-5tumA:
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.
5uj6 GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF11721
(Malectin)
PF16355
(DUF4982) 		5 ILE A 385
VAL A 458
TYR A 397
ILE A 160
ALA A 161
 None
 1.03A 5n4iA-5uj6A:
undetectable		 5n4iA-5uj6A:
19.04
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.
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
 0.97A 5n4iA-5up2B:
2.2		 5n4iA-5up2B:
17.54
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.
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
 1.09A 5n4iA-5uqeA:
undetectable		 5n4iA-5uqeA:
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.
5vey HISTONE H2B TYPE
1-J,HISTONE H2A TYPE
1-B/E

(Homo sapiens) 		PF00125
(Histone)
PF16211
(Histone_H2A_C) 		5 ILE A 167
GLY A 156
HIS A  25
ILE A  37
ALA A  34
 None
 1.08A 5n4iA-5veyA:
undetectable		 5n4iA-5veyA:
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.
5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE

(Mycobacterium
tuberculosis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 ILE A 534
GLY A 487
ILE A 249
MET A 236
VAL A 253
 None
 0.99A 5n4iA-5w25A:
undetectable		 5n4iA-5w25A:
22.26
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.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii) 		no annotation 5 GLY A 233
VAL A  89
PHE A  36
ILE A  42
ALA A  43
 None
 1.03A 5n4iA-5wugA:
undetectable		 5n4iA-5wugA:
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.
6ayv FRUCTOSE-1,6-BISPHOS
PHATASE CLASS 2

(Mycobacterium
tuberculosis) 		no annotation 5 ILE A 188
VAL A 297
ILE A 211
ALA A 212
VAL A  97
 None
 1.05A 5n4iA-6ayvA:
3.4		 5n4iA-6ayvA:
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.
6dde MU-TYPE OPIOID
RECEPTOR

(Mus musculus) 		no annotation 5 GLY R 253
VAL R 282
VAL R 286
ILE R 167
VAL R 163
 None
 0.90A 5n4iA-6ddeR:
undetectable		 5n4iA-6ddeR:
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
 1.37A 5n4iA-1crzA:
undetectable		 5n4iA-1crzA:
21.54
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.
1gq2 MALIC ENZYME

(Columba livia) 		PF00390
(malic)
PF03949
(Malic_M) 		4 TYR A 246
SER A 244
ALA A 241
GLN A 148
 None
 1.31A 5n4iA-1gq2A:
1.0		 5n4iA-1gq2A:
21.59
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.
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
 1.13A 5n4iA-1ibjA:
undetectable		 5n4iA-1ibjA:
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.
1inp INOSITOL
POLYPHOSPHATE
1-PHOSPHATASE

(Bos taurus) 		PF00459
(Inositol_P) 		4 SER A 118
ALA A 117
GLN A  25
THR A  27
 None
 1.26A 5n4iA-1inpA:
undetectable		 5n4iA-1inpA:
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.
1lfw PEPV

(Lactobacillus
delbrueckii) 		PF01546
(Peptidase_M20) 		4 TYR A 457
SER A 175
ALA A 426
GLN A 430
 None
 1.08A 5n4iA-1lfwA:
undetectable		 5n4iA-1lfwA:
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.
1mpt M-PROTEASE

(Bacillus
clausii) 		PF00082
(Peptidase_S8) 		4 SER A 141
ALA A 138
GLN A 109
THR A 134
 None
 1.36A 5n4iA-1mptA:
undetectable		 5n4iA-1mptA:
23.15
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.
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
 1.28A 5n4iA-1npcA:
undetectable		 5n4iA-1npcA:
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.
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
 1.28A 5n4iA-1o94A:
0.7		 5n4iA-1o94A:
19.86
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.
1pxv CYSTEINE PROTEASE

(Staphylococcus
aureus) 		PF05543
(Peptidase_C47) 		4 TYR A 393
SER A 247
ALA A 244
THR A 284
 None
 1.26A 5n4iA-1pxvA:
undetectable		 5n4iA-1pxvA:
17.60
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.
1pzx HYPOTHETICAL PROTEIN
APC36103

(Geobacillus
stearothermophilus) 		PF02645
(DegV) 		4 SER A 119
ALA A  86
GLN A  96
THR A  94
 None
 1.13A 5n4iA-1pzxA:
3.5		 5n4iA-1pzxA:
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.
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
 1.28A 5n4iA-1s9cA:
undetectable		 5n4iA-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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT

(Thauera
aromatica) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 TYR A 326
SER A 613
ALA A 614
THR A 450
 None
None
EPE  A1111 ( 4.1A)
EPE  A1111 ( 4.6A)
 1.08A 5n4iA-1sb3A:
undetectable		 5n4iA-1sb3A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sl5 MDC-SIGN1B TYPE I
ISOFORM

(Homo sapiens) 		PF00059
(Lectin_C) 		4 TYR A 268
SER A 380
ALA A 381
GLN A 264
 None
 1.28A 5n4iA-1sl5A:
undetectable		 5n4iA-1sl5A:
17.43
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		4 TYR A 195
SER A 187
ALA A 188
GLN A 192
 None
 1.33A 5n4iA-1sqjA:
undetectable		 5n4iA-1sqjA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.03A 5n4iA-1vliA:
undetectable		 5n4iA-1vliA:
23.08
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.
2b2x ANTIBODY AQC2 FAB

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR L  70
SER L  24
ALA L  25
GLN L  28
 None
 1.23A 5n4iA-2b2xL:
undetectable		 5n4iA-2b2xL:
17.35
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.
2czc GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF01113
(DapB_N)
PF02800
(Gp_dh_C) 		4 TYR A 156
SER A 151
ALA A 152
THR A 241
 None
 1.28A 5n4iA-2czcA:
undetectable		 5n4iA-2czcA:
21.30
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.
2efe SIMILARITY TO
VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN VPS9
SMALL GTP-BINDING
PROTEIN-LIKE

(Arabidopsis
thaliana;
Arabidopsis
thaliana) 		PF02204
(VPS9)
PF00071
(Ras) 		4 TYR B  72
SER A 232
ALA A 233
THR A 195
 None
 1.25A 5n4iA-2efeB:
2.2		 5n4iA-2efeB:
17.96
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.
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
 1.21A 5n4iA-2f00A:
2.1		 5n4iA-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
 1.06A 5n4iA-2gqdA:
undetectable		 5n4iA-2gqdA:
23.71
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.
2h1n OLIGOENDOPEPTIDASE F

(Geobacillus
stearothermophilus) 		PF01432
(Peptidase_M3) 		4 TYR A 328
ALA A 324
GLN A  74
THR A  65
 None
 0.78A 5n4iA-2h1nA:
undetectable		 5n4iA-2h1nA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2it6 CD209 ANTIGEN

(Homo sapiens) 		PF00059
(Lectin_C) 		4 TYR A 268
SER A 380
ALA A 381
GLN A 264
 None
 1.02A 5n4iA-2it6A:
undetectable		 5n4iA-2it6A:
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.
2jan TYROSYL-TRNA
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00579
(tRNA-synt_1b) 		4 TYR A  36
ALA A 218
GLN A 197
THR A 220
 None
 1.36A 5n4iA-2janA:
2.1		 5n4iA-2janA:
23.48
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.
2loz TENSIN-LIKE C1
DOMAIN-CONTAINING
PHOSPHATASE

(Homo sapiens) 		PF08416
(PTB) 		4 SER A1299
ALA A1298
GLN A1293
THR A1286
 None
 1.11A 5n4iA-2lozA:
undetectable		 5n4iA-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
 1.34A 5n4iA-2lqgA:
undetectable		 5n4iA-2lqgA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ww8 CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF13519
(VWA_2) 		4 TYR A 352
ALA A 356
GLN A 446
THR A 391
 None
 1.37A 5n4iA-2ww8A:
2.1		 5n4iA-2ww8A:
18.76
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.
2x7i MEVALONATE KINASE

(Staphylococcus
aureus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 TYR A   6
SER A   9
ALA A 108
GLN A  90
 None
 1.32A 5n4iA-2x7iA:
undetectable		 5n4iA-2x7iA:
23.15
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.
2y9e MYOSIN-2

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		4 TYR X 282
ALA X 228
GLN X 271
THR X 230
 None
 1.13A 5n4iA-2y9eX:
1.2		 5n4iA-2y9eX:
20.29
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.
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 5n4iA-2ynmA:
undetectable		 5n4iA-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.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1) 		no annotation 5 TYR A 328
SER A 325
ALA A 324
GLN A  74
THR A  65
 None
 1.16A 5n4iA-3ahmA:
undetectable		 5n4iA-3ahmA:
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.
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
 1.22A 5n4iA-3bi3A:
undetectable		 5n4iA-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.
3cpi RAB GDP-DISSOCIATION
INHIBITOR

(Saccharomyces
cerevisiae) 		PF00996
(GDI) 		4 TYR G 227
SER G 223
ALA G  91
THR G  96
 None
 1.07A 5n4iA-3cpiG:
undetectable		 5n4iA-3cpiG:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dhu ALPHA-AMYLASE

(Lactobacillus
plantarum) 		PF00128
(Alpha-amylase) 		4 TYR A 370
ALA A 379
GLN A 301
THR A 296
 None
 1.09A 5n4iA-3dhuA:
undetectable		 5n4iA-3dhuA:
21.90
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.
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
 1.11A 5n4iA-3e4pA:
undetectable		 5n4iA-3e4pA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hbc CHOLOYLGLYCINE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF02275
(CBAH) 		4 TYR A 203
ALA A 168
GLN A 195
THR A 170
 None
 1.13A 5n4iA-3hbcA:
undetectable		 5n4iA-3hbcA:
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.
3i8b XYLULOSE KINASE

(Bifidobacterium
adolescentis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 TYR A 203
SER A 199
ALA A 198
THR A 193
 None
 0.93A 5n4iA-3i8bA:
undetectable		 5n4iA-3i8bA:
23.95
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.
3kvn ESTERASE ESTA

(Pseudomonas
aeruginosa) 		no annotation 4 SER X 418
ALA X 393
GLN X 333
THR X 377
 None
 1.37A 5n4iA-3kvnX:
2.7		 5n4iA-3kvnX:
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.
3mgd PREDICTED
ACETYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF00583
(Acetyltransf_1) 		4 TYR A 133
ALA A 102
GLN A  22
THR A  92
 ACO  A 200 (-4.6A)
ACO  A 200 (-3.1A)
ACO  A 200 (-4.5A)
ACO  A 200 (-3.0A)
 1.06A 5n4iA-3mgdA:
undetectable		 5n4iA-3mgdA:
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.
3mq3 PYRUVATE
DEHYDROGENASE
PHOSPHATASE 1

(Bos taurus) 		PF00481
(PP2C) 		4 TYR A  23
SER A  57
ALA A  58
GLN A 120
 None
 1.21A 5n4iA-3mq3A:
undetectable		 5n4iA-3mq3A:
25.75
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.
3n0g ISOPRENE SYNTHASE

(Populus tremula
x Populus alba) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 TYR A 284
SER A 584
GLN A 248
THR A 247
 None
 1.32A 5n4iA-3n0gA:
undetectable		 5n4iA-3n0gA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o5c CYTOCHROME C551
PEROXIDASE

(Shewanella
oneidensis) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		4 TYR A 180
SER A 189
ALA A 192
GLN A 197
 None
 1.39A 5n4iA-3o5cA:
undetectable		 5n4iA-3o5cA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r6n DESMOPLAKIN

(Homo sapiens) 		no annotation 4 TYR A 378
SER A 442
ALA A 519
GLN A 386
 None
 1.30A 5n4iA-3r6nA:
undetectable		 5n4iA-3r6nA:
23.34
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.
3sks PUTATIVE
OLIGOENDOPEPTIDASE F

(Bacillus
anthracis) 		no annotation 4 TYR A 328
ALA A 324
GLN A  74
THR A  65
 None
 0.88A 5n4iA-3sksA:
undetectable		 5n4iA-3sksA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.38A 5n4iA-3uggA:
undetectable		 5n4iA-3uggA:
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.
3vr5 V-TYPE SODIUM ATPASE
CATALYTIC SUBUNIT A

(Enterococcus
hirae) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		4 TYR A 434
ALA A 229
GLN A 403
THR A 405
 None
 0.93A 5n4iA-3vr5A:
1.6		 5n4iA-3vr5A:
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.
3vrd FLAVOCYTOCHROME C
HEME SUBUNIT

(Thermochromatium
tepidum) 		no annotation 4 SER A 172
ALA A 171
GLN A 124
THR A 126
 None
 1.28A 5n4iA-3vrdA:
undetectable		 5n4iA-3vrdA:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5n4iA-3wiwA:
undetectable		 5n4iA-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
 1.28A 5n4iA-4b52A:
undetectable		 5n4iA-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.
4bih UNCHARACTERIZED
LIPOPROTEIN
SAOUHSC_00053

(Staphylococcus
aureus) 		PF04507
(DUF576) 		4 TYR A 242
ALA A  87
GLN A  79
THR A 110
 None
 1.36A 5n4iA-4bihA:
undetectable		 5n4iA-4bihA:
20.10
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.
4c89 ESTERASE

(Lactobacillus
plantarum) 		PF07859
(Abhydrolase_3) 		4 TYR A  -3
SER A 128
ALA A 125
GLN A  93
 None
 1.12A 5n4iA-4c89A:
undetectable		 5n4iA-4c89A:
23.86
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.
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)
 1.19A 5n4iA-4cxhA:
undetectable		 5n4iA-4cxhA:
23.89
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.
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
 1.30A 5n4iA-4ep6A:
undetectable		 5n4iA-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
 1.39A 5n4iA-4gz7A:
undetectable		 5n4iA-4gz7A:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.21A 5n4iA-4hu8A:
undetectable		 5n4iA-4hu8A:
21.59
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.
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
 1.19A 5n4iA-4hv4A:
3.2		 5n4iA-4hv4A:
24.20
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.
4hwm UNCHARACTERIZED
PROTEIN YEDD

(Klebsiella
pneumoniae) 		PF13987
(YedD) 		4 TYR A 109
SER A  56
ALA A  55
GLN A  77
 None
 1.12A 5n4iA-4hwmA:
undetectable		 5n4iA-4hwmA:
16.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5n4iA-4kf9A:
undetectable		 5n4iA-4kf9A:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.37A 5n4iA-4m9aA:
undetectable		 5n4iA-4m9aA:
21.79
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.
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 5n4iA-4mptA:
3.9		 5n4iA-4mptA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mu9 GLYCOSIDE HYDROLASE
FAMILY 73

(Bacteroides
thetaiotaomicron) 		PF03663
(Glyco_hydro_76) 		4 TYR A 133
SER A  77
ALA A  76
THR A  44
 None
 1.33A 5n4iA-4mu9A:
undetectable		 5n4iA-4mu9A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.34A 5n4iA-4q0cA:
undetectable		 5n4iA-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 5n4iA-4q1qA:
undetectable		 5n4iA-4q1qA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5n4iA-4q1qA:
undetectable		 5n4iA-4q1qA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.28A 5n4iA-4q1qA:
undetectable		 5n4iA-4q1qA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.33A 5n4iA-4rf3A:
undetectable		 5n4iA-4rf3A:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u33 ALPHA-1,4-GLUCAN:MAL
TOSE-1-PHOSPHATE
MALTOSYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF11896
(DUF3416) 		4 TYR A 691
ALA A 617
GLN A 110
THR A 112
 None
 1.36A 5n4iA-4u33A:
undetectable		 5n4iA-4u33A:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uoo LIPOTEICHOIC ACID
SYNTHASE

(Listeria
monocytogenes) 		PF00884
(Sulfatase) 		4 TYR A 550
SER A 337
ALA A 340
GLN A 345
 None
 1.03A 5n4iA-4uooA:
2.1		 5n4iA-4uooA:
21.06
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.
4v39 SIALYLTRANSFERASE

(Pasteurella
dagmatis) 		PF11477
(PM0188) 		4 SER A 328
ALA A 327
GLN A 257
THR A 345
 None
 1.39A 5n4iA-4v39A:
undetectable		 5n4iA-4v39A:
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.
4wzb NITROGENASE IRON
PROTEIN 1

(Azotobacter
vinelandii) 		PF00142
(Fer4_NifH) 		4 SER E  44
ALA E  42
GLN E  54
THR E  56
 None
 1.26A 5n4iA-4wzbE:
undetectable		 5n4iA-4wzbE:
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.
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
 1.35A 5n4iA-4xeaA:
undetectable		 5n4iA-4xeaA:
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.
4xwj PHOSPHOCARRIER
PROTEIN HPR

(Escherichia
coli) 		PF00381
(PTS-HPr) 		4 SER B  43
ALA B  42
GLN B  51
THR B  52
 None
 1.14A 5n4iA-4xwjB:
undetectable		 5n4iA-4xwjB:
13.22
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.
4zxl O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		4 TYR A 583
SER A 585
ALA A 586
GLN A 591
 None
 1.29A 5n4iA-4zxlA:
undetectable		 5n4iA-4zxlA:
22.20
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.
5a2o NITRATE TRANSPORTER
1.1

(Arabidopsis
thaliana) 		PF00854
(PTR2) 		4 TYR A 469
SER A 383
ALA A 382
THR A  57
 None
 1.30A 5n4iA-5a2oA:
undetectable		 5n4iA-5a2oA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.26A 5n4iA-5a3yA:
undetectable		 5n4iA-5a3yA:
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.
5ax7 PYRUVYL TRANSFERASE
1

(Schizosaccharomyces
pombe) 		PF04230
(PS_pyruv_trans) 		4 TYR A 206
ALA A 225
GLN A 189
THR A 216
 None
 1.20A 5n4iA-5ax7A:
undetectable		 5n4iA-5ax7A:
21.29
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.
5bn4 V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Nanoarchaeum
equitans) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		4 TYR A 423
ALA A 220
GLN A 392
THR A 394
 None
 1.01A 5n4iA-5bn4A:
1.4		 5n4iA-5bn4A:
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.
5c0y EXOSOME COMPLEX
EXONUCLEASE RRP6

(Saccharomyces
cerevisiae) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		4 SER A 327
ALA A 329
GLN A 345
THR A 340
 None
 1.32A 5n4iA-5c0yA:
undetectable		 5n4iA-5c0yA:
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.
5ce5 TRIACYLGLYCEROL
LIPASE

(Geobacillus
thermocatenulatus) 		no annotation 4 TYR A  30
ALA A 112
GLN A 115
THR A 164
 None
 1.16A 5n4iA-5ce5A:
undetectable		 5n4iA-5ce5A:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cmc ML032222A IGLUR

(Mnemiopsis
leidyi) 		PF10613
(Lig_chan-Glu_bd) 		4 TYR A 104
SER A 100
ALA A  97
THR A 148
 None
 1.37A 5n4iA-5cmcA:
undetectable		 5n4iA-5cmcA:
19.86
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.
5ddz RICIN

(Ricinus
communis) 		PF00161
(RIP) 		4 TYR A  84
SER A 149
ALA A 150
THR A 163
 None
 1.34A 5n4iA-5ddzA:
undetectable		 5n4iA-5ddzA:
23.19
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.
5ejy MYOSIN-I HEAVY CHAIN

(Dictyostelium
discoideum) 		PF00784
(MyTH4) 		4 SER A 206
ALA A 203
GLN A 191
THR A 189
 None
 1.39A 5n4iA-5ejyA:
undetectable		 5n4iA-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 5n4iA-5f8pA:
undetectable		 5n4iA-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
 1.31A 5n4iA-5fp1A:
undetectable		 5n4iA-5fp1A:
18.96
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
 1.37A 5n4iA-5fwxB:
3.4		 5n4iA-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.
5ixm LPS-ASSEMBLY PROTEIN
LPTD
LPS-ASSEMBLY
LIPOPROTEIN LPTE

(Yersinia
pestis;
Yersinia pestis) 		PF04453
(OstA_C)
PF04390
(LptE) 		4 TYR A 128
ALA B  75
GLN B  64
THR B  66
 None
 1.37A 5n4iA-5ixmA:
undetectable		 5n4iA-5ixmA:
19.39
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.
5j4o SPECTRIN ALPHA
CHAIN, ERYTHROCYTIC
1

(Homo sapiens) 		PF00435
(Spectrin) 		4 TYR A 115
SER A  43
ALA A  42
GLN A 122
 None
None
None
EDO  A 304 (-3.8A)
 1.38A 5n4iA-5j4oA:
undetectable		 5n4iA-5j4oA:
21.43
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.
5jt8 BLO T 1 ALLERGEN

(Blomia
tropicalis) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 TYR A 210
SER A 169
ALA A 172
THR A 151
 None
NO3  A 404 (-3.8A)
None
None
 1.30A 5n4iA-5jt8A:
undetectable		 5n4iA-5jt8A:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lqd ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE

(Streptomyces
venezuelae) 		PF00982
(Glyco_transf_20) 		4 SER A 296
ALA A 297
GLN A 302
THR A 311
 None
 1.28A 5n4iA-5lqdA:
undetectable		 5n4iA-5lqdA:
23.36
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.
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 5n4iA-5mogA:
undetectable		 5n4iA-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 5 TYR A  98
SER A 129
ALA A 130
GLN A 172
THR A 245
 SAM  A 501 (-4.7A)
SAM  A 501 (-4.7A)
SAM  A 501 (-3.2A)
HSE  A 504 ( 3.3A)
SAM  A 501 (-3.6A)
 0.19A 5n4iA-5n0oA:
44.5		 5n4iA-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
 1.37A 5n4iA-5nenA:
undetectable		 5n4iA-5nenA:
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.
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
 1.27A 5n4iA-5nitA:
undetectable		 5n4iA-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.
5ol2 ELECTRON TRANSFER
FLAVOPROTEIN LARGE
SUBUNIT

(Clostridioides
difficile) 		no annotation 4 TYR A 229
SER A 214
ALA A 215
THR A 245
 None
 0.99A 5n4iA-5ol2A:
2.2		 5n4iA-5ol2A:
22.57
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.
5tu0 LMO2125 PROTEIN

(Listeria
monocytogenes) 		PF13416
(SBP_bac_8) 		4 SER A 248
ALA A 249
GLN A 244
THR A 190
 None
 1.16A 5n4iA-5tu0A:
undetectable		 5n4iA-5tu0A:
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.
5uj1 DNA TOPOISOMERASE 1

(Mycobacterium
tuberculosis) 		no annotation 4 SER A 353
ALA A 354
GLN A 361
THR A 427
 None
 1.24A 5n4iA-5uj1A:
2.8		 5n4iA-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.
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
 1.16A 5n4iA-5xgrA:
undetectable		 5n4iA-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.
5zal ENDORIBONUCLEASE
DICER

(Homo sapiens) 		no annotation 4 TYR A 668
SER A1691
ALA A1690
GLN A1614
 None
 1.30A 5n4iA-5zalA:
undetectable		 5n4iA-5zalA:
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.
6fur HUMAN F11 T-CELL
RECEPTOR

(Homo sapiens) 		no annotation 4 TYR B  63
SER B  79
ALA B  80
THR B  12
 None
 1.39A 5n4iA-6furB:
undetectable		 5n4iA-6furB:
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
 1.35A 5n4iA-6fuyA:
undetectable		 5n4iA-6fuyA:
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.
6gbh HOPQ

(Helicobacter
pylori) 		no annotation 4 SER C  81
ALA C  83
GLN C 330
THR C 292
 None
 1.05A 5n4iA-6gbhC:
undetectable		 5n4iA-6gbhC:
undetectable