SIMILAR PATTERNS OF AMINO ACIDS FOR 4NKX_D_STRD601

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.
1b3b PROTEIN (GLUTAMATE
DEHYDROGENASE)

(Thermotoga
maritima) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ALA A 196
ALA A 224
ALA A 213
ILE A 288
VAL A 236
 None
 0.96A 4nkxD-1b3bA:
undetectable		 4nkxD-1b3bA:
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.
1by8 PROTEIN
(PROCATHEPSIN K)

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		5 ALA A 223
GLY A 267
ALA A 306
ILE A 212
VAL A 232
 None
 0.93A 4nkxD-1by8A:
undetectable		 4nkxD-1by8A:
19.36
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.
1h5q NADP-DEPENDENT
MANNITOL
DEHYDROGENASE

(Agaricus
bisporus) 		PF13561
(adh_short_C2) 		5 LEU A 241
ILE A  14
ALA A  95
THR A 127
VAL A 131
 None
 1.04A 4nkxD-1h5qA:
undetectable		 4nkxD-1h5qA:
20.52
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.
1jae ALPHA-AMYLASE

(Tenebrio
molitor) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		5 LEU A 251
ALA A 314
ALA A 404
ILE A 393
VAL A 462
 None
 1.09A 4nkxD-1jaeA:
undetectable		 4nkxD-1jaeA:
20.45
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 LEU A1067
GLY A 988
ALA A 959
THR A 961
VAL A 825
 None
 1.08A 4nkxD-1jx2A:
undetectable		 4nkxD-1jx2A:
18.71
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.
1kig FACTOR XA

(Bos taurus) 		PF00089
(Trypsin) 		5 LEU H 106
ALA H  31
GLY H 196
ALA H 121
ILE H  46
 None
 1.00A 4nkxD-1kigH:
undetectable		 4nkxD-1kigH:
18.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nr6 CYTOCHROME P450 2C5

(Oryctolagus
cuniculus) 		PF00067
(p450) 		6 LEU A 103
ALA A 113
PHE A 114
GLY A 293
ALA A 294
THR A 298
 DIF  A 501 (-3.9A)
DIF  A 501 (-3.6A)
DIF  A 501 (-4.5A)
DIF  A 501 (-3.8A)
DIF  A 501 ( 3.3A)
HEM  A 500 ( 3.6A)
 1.11A 4nkxD-1nr6A:
44.1		 4nkxD-1nr6A:
32.81
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.
1pff METHIONINE
GAMMA-LYASE

(Trichomonas
vaginalis) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA A  81
ILE A 240
GLY A  88
ALA A  89
ILE A 229
 None
 1.05A 4nkxD-1pffA:
undetectable		 4nkxD-1pffA:
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.
1rrm LACTALDEHYDE
REDUCTASE

(Escherichia
coli) 		PF00465
(Fe-ADH) 		5 ALA A 356
GLY A 270
ALA A 271
THR A 155
VAL A 153
 None
None
None
None
APR  A 389 (-4.6A)
 1.03A 4nkxD-1rrmA:
undetectable		 4nkxD-1rrmA:
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.
1svd RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE/OXYGENAS
E LARGE SUBUNIT

(Halothiobacillus
neapolitanus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 LEU A 383
PHE A 387
ILE A 375
GLY A 326
ILE A 339
 None
 0.90A 4nkxD-1svdA:
undetectable		 4nkxD-1svdA:
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.
1vrd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Thermotoga
maritima) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 LEU A 314
PHE A   7
GLY A 350
ALA A 351
VAL A 293
 None
 1.01A 4nkxD-1vrdA:
undetectable		 4nkxD-1vrdA:
23.60
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.
1wlh GELATION FACTOR

(Dictyostelium
discoideum) 		PF00630
(Filamin) 		5 ALA A 656
PHE A 672
ASN A 728
ILE A 674
VAL A 693
 None
 0.94A 4nkxD-1wlhA:
undetectable		 4nkxD-1wlhA:
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.
1wlj INTERFERON
STIMULATED GENE
20KDA

(Homo sapiens) 		PF00929
(RNase_T) 		5 LEU A  98
PHE A  95
ILE A  77
ILE A 107
VAL A   8
 None
 1.02A 4nkxD-1wljA:
undetectable		 4nkxD-1wljA:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xcf TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Escherichia
coli) 		PF00290
(Trp_syntA) 		5 LEU A  48
ILE A  95
GLY A  44
ALA A  43
ILE A  36
 None
 0.93A 4nkxD-1xcfA:
undetectable		 4nkxD-1xcfA:
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.
1xdp POLYPHOSPHATE KINASE

(Escherichia
coli) 		PF02503
(PP_kinase)
PF13089
(PP_kinase_N)
PF13090
(PP_kinase_C) 		5 LEU A 146
ALA A 158
ASN A 141
ALA A 271
VAL A 275
 None
 1.06A 4nkxD-1xdpA:
undetectable		 4nkxD-1xdpA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2apo PROBABLE TRNA
PSEUDOURIDINE
SYNTHASE B

(Methanocaldococcus
jannaschii) 		PF01472
(PUA)
PF01509
(TruB_N)
PF08068
(DKCLD)
PF16198
(TruB_C_2) 		5 LEU A 159
PHE A 128
ALA A 119
ALA A 194
ILE A 186
 None
 0.87A 4nkxD-2apoA:
undetectable		 4nkxD-2apoA:
19.88
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.
2czc GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF01113
(DapB_N)
PF02800
(Gp_dh_C) 		5 LEU A  29
ALA A  20
GLY A  14
ALA A 309
ILE A 307
 None
 1.07A 4nkxD-2czcA:
undetectable		 4nkxD-2czcA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d4y FLAGELLAR
HOOK-ASSOCIATED
PROTEIN 1

(Salmonella
enterica) 		no annotation 5 LEU A 132
PHE A 112
ILE A 433
GLY A 455
ALA A 307
 None
 0.81A 4nkxD-2d4yA:
undetectable		 4nkxD-2d4yA:
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.
2drh 361AA LONG
HYPOTHETICAL
D-AMINOPEPTIDASE

(Pyrococcus
horikoshii) 		PF03576
(Peptidase_S58) 		5 LEU A 303
ILE A 194
THR A 315
ALA A 245
VAL A 201
 None
 1.08A 4nkxD-2drhA:
undetectable		 4nkxD-2drhA:
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.
2dvm 439AA LONG
HYPOTHETICAL MALATE
OXIDOREDUCTASE

(Pyrococcus
horikoshii) 		PF00390
(malic)
PF03949
(Malic_M) 		5 LEU A 177
ILE A 187
GLY A 209
ALA A 208
ALA A 166
 None
 0.99A 4nkxD-2dvmA:
undetectable		 4nkxD-2dvmA:
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.
2eyz V-CRK SARCOMA VIRUS
CT10 ONCOGENE
HOMOLOG ISOFORM A

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07653
(SH3_2) 		5 LEU A 100
PHE A 103
ILE A  62
GLY A  90
ILE A 115
 None
 1.03A 4nkxD-2eyzA:
undetectable		 4nkxD-2eyzA:
20.75
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.
2gd2 PROBABLE
ALPHA-METHYLACYL-COA
RACEMASE MCR

(Mycobacterium
tuberculosis) 		PF02515
(CoA_transf_3) 		5 LEU A 165
ALA A 109
ILE A  25
GLY A  19
VAL A  33
 None
 1.08A 4nkxD-2gd2A:
undetectable		 4nkxD-2gd2A:
22.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hi4 CYTOCHROME P450 1A2

(Homo sapiens) 		PF00067
(p450) 		5 PHE A 125
GLY A 316
ALA A 317
THR A 321
ILE A 386
 None
BHF  A 800 (-3.8A)
HEM  A 900 ( 3.5A)
HEM  A 900 ( 3.1A)
HEM  A 900 (-4.0A)
 0.45A 4nkxD-2hi4A:
41.2		 4nkxD-2hi4A:
32.31
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.
2hru PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE II

(Thermotoga
maritima) 		PF00586
(AIRS)
PF02769
(AIRS_C)
PF16904
(PurL_C) 		5 LEU A 218
PHE A 178
ALA A 234
ILE A 297
VAL A 226
 None
 0.98A 4nkxD-2hruA:
undetectable		 4nkxD-2hruA:
21.49
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.
2icy PROBABLE
UTP-GLUCOSE-1-PHOSPH
ATE
URIDYLYLTRANSFERASE
2

(Arabidopsis
thaliana) 		PF01704
(UDPGP) 		5 ASN A 295
GLY A 337
ALA A 338
ALA A 273
ILE A 317
 UPG  A 901 (-3.0A)
None
None
None
None
 0.91A 4nkxD-2icyA:
undetectable		 4nkxD-2icyA:
23.96
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.
2kgy POSSIBLE EXPORTED
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A  85
GLY A  24
ALA A  27
ALA A  45
VAL A  73
 None
 1.07A 4nkxD-2kgyA:
undetectable		 4nkxD-2kgyA:
12.09
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.
2kzr UBIQUITIN
THIOESTERASE OTU1

(Mus musculus) 		no annotation 5 LEU A  14
ILE A  33
GLY A  28
ILE A  43
VAL A  74
 None
 1.05A 4nkxD-2kzrA:
undetectable		 4nkxD-2kzrA:
12.41
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.
2o2q FORMYLTETRAHYDROFOLA
TE DEHYDROGENASE

(Rattus
norvegicus) 		PF00171
(Aldedh) 		5 LEU A 889
ALA A 585
ILE A 540
GLY A 535
ALA A 534
 None
 1.06A 4nkxD-2o2qA:
undetectable		 4nkxD-2o2qA:
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.
2o39 FIBER PROTEIN

(Human
mastadenovirus
B) 		PF00541
(Adeno_knob) 		5 PHE A 199
ILE A 229
GLY A 234
ALA A 171
ILE A 290
 None
 1.04A 4nkxD-2o39A:
undetectable		 4nkxD-2o39A:
17.36
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.
2pg8 DPGC

(Streptomyces
toyocaensis) 		PF00378
(ECH_1) 		5 ALA A 329
ILE A 235
GLY A 297
ALA A 298
ILE A 346
 None
YE1  A 997 (-3.3A)
None
None
None
 0.81A 4nkxD-2pg8A:
undetectable		 4nkxD-2pg8A:
22.60
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.
2qae DIHYDROLIPOYL
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 187
GLY A 223
ALA A 224
VAL A 359
VAL A 416
 None
 1.06A 4nkxD-2qaeA:
undetectable		 4nkxD-2qaeA:
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.
2qjc DIADENOSINE
TETRAPHOSPHATASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00149
(Metallophos) 		5 LEU A 126
ALA A  52
ALA A  75
ILE A  27
VAL A  67
 None
 1.09A 4nkxD-2qjcA:
undetectable		 4nkxD-2qjcA:
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.
2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE

(Escherichia
coli) 		PF01266
(DAO) 		5 LEU A 211
GLY A 201
ALA A 200
ALA A 196
ILE A 175
 None
FAD  A1373 (-3.4A)
FAD  A1373 (-3.5A)
None
None
 1.02A 4nkxD-2uzzA:
undetectable		 4nkxD-2uzzA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v4y URIDYLATE KINASE

(Escherichia
coli) 		PF00696
(AA_kinase) 		5 ALA A 164
ASN A  87
GLY A  18
THR A 145
VAL A  53
 None
None
GTP  A1243 (-3.5A)
GTP  A1243 (-4.5A)
None
 1.10A 4nkxD-2v4yA:
undetectable		 4nkxD-2v4yA:
20.32
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.
3bxz PREPROTEIN
TRANSLOCASE SUBUNIT
SECA

(Escherichia
coli) 		PF07517
(SecA_DEAD) 		5 ALA A 120
GLY A 151
ALA A  67
VAL A  71
VAL A  70
 None
 1.03A 4nkxD-3bxzA:
undetectable		 4nkxD-3bxzA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c4n UNCHARACTERIZED
PROTEIN DR_0571

(Deinococcus
radiodurans) 		PF01266
(DAO) 		5 LEU A 189
ALA A 179
ASN A 192
GLY A  71
ALA A 231
 None
 0.84A 4nkxD-3c4nA:
undetectable		 4nkxD-3c4nA:
22.90
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.
3czx PUTATIVE
N-ACETYLMURAMOYL-L-A
LANINE AMIDASE

(Neisseria
meningitidis) 		PF01520
(Amidase_3) 		5 ALA A  63
ASN A  97
ILE A 141
GLY A 139
ALA A 138
 None
 1.10A 4nkxD-3czxA:
undetectable		 4nkxD-3czxA:
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.
3f6r FLAVODOXIN

(Desulfovibrio
desulfuricans) 		PF00258
(Flavodoxin_1) 		5 LEU A  22
PHE A 140
ILE A   6
GLY A  56
VAL A  88
 None
 1.05A 4nkxD-3f6rA:
undetectable		 4nkxD-3f6rA:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3frk QDTB

(Thermoanaerobacterium
thermosaccharolyticum) 		PF01041
(DegT_DnrJ_EryC1) 		5 PHE A 285
ASN A 362
ILE A 361
GLY A 263
ALA A 262
 None
 1.10A 4nkxD-3frkA:
undetectable		 4nkxD-3frkA:
24.90
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.
3hjl FLAGELLAR MOTOR
SWITCH PROTEIN FLIG

(Aquifex
aeolicus) 		PF01706
(FliG_C)
PF14841
(FliG_M)
PF14842
(FliG_N) 		5 LEU A 266
PHE A 277
ILE A 253
VAL A 311
VAL A 312
 None
 1.00A 4nkxD-3hjlA:
undetectable		 4nkxD-3hjlA:
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.
3hxw ALANYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF01411
(tRNA-synt_2c) 		5 LEU A 359
ALA A 316
PHE A 330
ILE A 294
THR A  88
 None
 0.99A 4nkxD-3hxwA:
undetectable		 4nkxD-3hxwA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i2d E3 SUMO-PROTEIN
LIGASE SIZ1

(Saccharomyces
cerevisiae) 		PF02891
(zf-MIZ)
PF14324
(PINIT) 		5 LEU A 228
ALA A 278
ILE A 189
ILE A 261
VAL A 293
 None
 1.02A 4nkxD-3i2dA:
undetectable		 4nkxD-3i2dA:
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.
3i5t AMINOTRANSFERASE

(Rhodobacter
sphaeroides) 		PF00202
(Aminotran_3) 		5 PHE A 271
ASN A 339
ILE A 340
GLY A 289
ILE A 284
 None
 0.94A 4nkxD-3i5tA:
undetectable		 4nkxD-3i5tA:
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.
3i8b XYLULOSE KINASE

(Bifidobacterium
adolescentis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ALA A  55
PHE A  51
GLY A   8
ALA A   7
ALA A 252
 None
 1.04A 4nkxD-3i8bA:
undetectable		 4nkxD-3i8bA:
22.80
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.
3j9u V-TYPE PROTON ATPASE
CATALYTIC SUBUNIT A

(Saccharomyces
cerevisiae) 		no annotation 5 ALA C 340
GLY C 396
ALA C 395
ALA C 354
ILE C 279
 None
 1.11A 4nkxD-3j9uC:
undetectable		 4nkxD-3j9uC:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k5w CARBOHYDRATE KINASE

(Helicobacter
pylori) 		PF01256
(Carb_kinase)
PF03853
(YjeF_N) 		5 LEU A 183
ILE A 401
ALA A 149
ILE A 152
VAL A 191
 None
 0.82A 4nkxD-3k5wA:
undetectable		 4nkxD-3k5wA:
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.
3llx PREDICTED AMINO ACID
ALDOLASE OR RACEMASE

(Idiomarina
loihiensis) 		PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat) 		5 ALA A 158
PHE A 165
GLY A 206
ALA A 198
ILE A 136
 None
 1.06A 4nkxD-3llxA:
undetectable		 4nkxD-3llxA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ltl BREFELDIN
A-INHIBITED GUANINE
NUCLEOTIDE-EXCHANGE
PROTEIN 1

(Homo sapiens) 		PF01369
(Sec7) 		5 LEU A 865
PHE A 818
ALA A 828
ALA A 780
VAL A 778
 None
 0.99A 4nkxD-3ltlA:
undetectable		 4nkxD-3ltlA:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lzk FUMARYLACETOACETATE
HYDROLASE FAMILY
PROTEIN

(Sinorhizobium
meliloti) 		PF01557
(FAA_hydrolase) 		5 ALA A 195
ILE A 136
ILE A 328
VAL A 312
VAL A 311
 None
 1.08A 4nkxD-3lzkA:
undetectable		 4nkxD-3lzkA:
22.16
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.
3mi9 CELL DIVISION
PROTEIN KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 133
ILE A 218
ALA A 166
ALA A 171
ILE A 140
 None
 0.96A 4nkxD-3mi9A:
undetectable		 4nkxD-3mi9A:
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.
3noq THIJ/PFPI FAMILY
PROTEIN

(Pseudomonas
fluorescens) 		PF01965
(DJ-1_PfpI) 		5 LEU A 146
ALA A  91
GLY A 111
ALA A 110
ILE A  66
 None
 1.01A 4nkxD-3noqA:
undetectable		 4nkxD-3noqA:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pm0 CYTOCHROME P450 1B1

(Homo sapiens) 		PF00067
(p450) 		6 ALA A 133
PHE A 134
GLY A 329
ALA A 330
THR A 334
ILE A 399
 HEM  A 900 (-3.3A)
BHF  A 800 (-4.8A)
BHF  A 800 ( 4.0A)
HEM  A 900 ( 3.4A)
HEM  A 900 ( 3.2A)
HEM  A 900 (-4.0A)
 0.47A 4nkxD-3pm0A:
41.5		 4nkxD-3pm0A:
29.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 LEU A 438
ILE A 416
GLY A  86
ALA A  87
ALA A  15
 None
 1.04A 4nkxD-3pocA:
undetectable		 4nkxD-3pocA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pps LACCASE

(Thielavia
arenaria) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 LEU A 220
ILE A 278
GLY A 245
ALA A 307
ILE A 309
 None
None
None
NAG  A 740 ( 3.7A)
None
 1.02A 4nkxD-3ppsA:
undetectable		 4nkxD-3ppsA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rd5 MYPAA.01249.C

(Mycobacterium
avium) 		PF00106
(adh_short) 		5 ALA A  54
ASN A  91
GLY A  27
ALA A  28
VAL A  41
 None
 1.11A 4nkxD-3rd5A:
undetectable		 4nkxD-3rd5A:
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.
3tm9 BACTERIAL HEMOGLOBIN

(Vitreoscilla
stercoraria) 		PF00042
(Globin) 		5 ILE A  10
GLY A 123
ALA A  58
ILE A  24
VAL A  61
 None
None
None
None
HEM  A 201 ( 3.9A)
 0.82A 4nkxD-3tm9A:
undetectable		 4nkxD-3tm9A:
15.57
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.
3ubl GLUTATHIONE
TRANSFERASE

(Leptospira
interrogans) 		PF13417
(GST_N_3) 		5 LEU A 160
ILE A  97
GLY A 130
VAL A 138
VAL A 137
 None
 0.95A 4nkxD-3ublA:
undetectable		 4nkxD-3ublA:
18.80
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.
3v9p THYMIDYLATE KINASE

(Burkholderia
thailandensis) 		PF02223
(Thymidylate_kin) 		5 PHE A  24
GLY A 201
ILE A   7
VAL A 135
VAL A 184
 None
None
None
None
GOL  A 252 ( 3.8A)
 0.97A 4nkxD-3v9pA:
undetectable		 4nkxD-3v9pA:
18.22
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.
4ayi LIPOPROTEIN GNA1870
CCOMPND 7

(Neisseria
meningitidis) 		PF08794
(Lipoprot_C) 		5 LEU D 289
ALA D 303
ALA D 221
ALA D 173
VAL D 171
 None
 0.93A 4nkxD-4ayiD:
undetectable		 4nkxD-4ayiD:
21.33
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.
4bo6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE FABG

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 ALA A  30
GLY A 223
ALA A 226
VAL A  10
VAL A  87
 None
 1.02A 4nkxD-4bo6A:
undetectable		 4nkxD-4bo6A:
21.21
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.
4c0r PUTATIVE AMINO ACID
BINDING PROTEIN

(Streptococcus
mutans) 		PF00497
(SBP_bac_3) 		5 LEU A 145
ILE A 170
ILE A 161
VAL A  94
VAL A 181
 GDS  A 500 ( 3.3A)
None
None
None
None
 0.87A 4nkxD-4c0rA:
undetectable		 4nkxD-4c0rA:
20.04
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.
4doe 1,4-BETA-GLUCANASE

(Caldicellulosiruptor
bescii) 		PF00759
(Glyco_hydro_9) 		5 LEU A  86
ALA A 176
GLY A 232
ALA A 288
VAL A 284
 None
None
EDO  A 522 ( 3.6A)
None
None
 1.00A 4nkxD-4doeA:
undetectable		 4nkxD-4doeA:
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.
4efc ADENYLOSUCCINATE
LYASE

(Trypanosoma
brucei) 		PF00206
(Lyase_1)
PF08328
(ASL_C) 		5 LEU A 279
ALA A 368
ALA A 161
ALA A 153
ILE A 365
 None
 0.90A 4nkxD-4efcA:
undetectable		 4nkxD-4efcA:
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.
4ehj PHOSPHOGLYCERATE
KINASE

(Francisella
tularensis) 		PF00162
(PGK) 		5 LEU A  11
ILE A  47
GLY A 164
ALA A 163
ALA A 155
 None
 0.92A 4nkxD-4ehjA:
undetectable		 4nkxD-4ehjA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g6b CITRATE SYNTHASE

(Escherichia
coli) 		PF00285
(Citrate_synt) 		5 LEU A 141
ILE A 117
ALA A 172
ILE A 256
VAL A 133
 None
 0.98A 4nkxD-4g6bA:
undetectable		 4nkxD-4g6bA:
22.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i8v CYTOCHROME P450 1A1

(Homo sapiens) 		PF00067
(p450) 		5 PHE A 123
GLY A 316
ALA A 317
THR A 321
ILE A 386
 None
BHF  A 602 (-3.5A)
BHF  A 602 ( 3.4A)
HEM  A 601 (-3.4A)
HEM  A 601 (-3.6A)
 0.47A 4nkxD-4i8vA:
42.6		 4nkxD-4i8vA:
33.85
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.
4jwo PHOSPHATE BINDING
PROTEIN

(Planctopirus
limnophila) 		PF12727
(PBP_like) 		5 LEU A 304
PHE A 300
ILE A  71
GLY A 111
ILE A  60
 None
 0.96A 4nkxD-4jwoA:
undetectable		 4nkxD-4jwoA:
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.
4n40 PROTEIN ECT2

(Homo sapiens) 		PF00533
(BRCT)
PF12738
(PTCB-BRCT) 		5 LEU A  55
ILE A  66
GLY A  75
ILE A 118
VAL A 123
 None
 0.97A 4nkxD-4n40A:
undetectable		 4nkxD-4n40A:
19.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		5 ALA A 113
ILE A 206
ALA A 302
ILE A 371
VAL A 366
 HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.6A)
3QZ  A 601 (-2.9A)
HEM  A 600 (-3.8A)
HEM  A 600 ( 3.4A)
 1.05A 4nkxD-4nkyA:
60.4		 4nkxD-4nkyA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		12 LEU A 105
ALA A 113
PHE A 114
ASN A 202
ILE A 205
GLY A 301
ALA A 302
THR A 306
ALA A 367
ILE A 371
VAL A 482
VAL A 483
 3QZ  A 601 ( 4.2A)
HEM  A 600 ( 2.9A)
3QZ  A 601 ( 4.1A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 3.0A)
3QZ  A 601 (-2.9A)
HEM  A 600 ( 3.2A)
HEM  A 600 ( 3.1A)
HEM  A 600 (-3.8A)
3QZ  A 601 (-4.1A)
3QZ  A 601 (-4.1A)
 0.30A 4nkxD-4nkyA:
60.4		 4nkxD-4nkyA:
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.
4pve POLLEN ALLERGEN PHL
P 4.0202

(Phleum pratense) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 PHE A 159
GLY A 130
ALA A 121
VAL A 123
VAL A 112
 None
 1.03A 4nkxD-4pveA:
undetectable		 4nkxD-4pveA:
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.
4pz2 ZMALDH

(Zea mays) 		PF00171
(Aldedh) 		5 LEU A 500
ALA A 195
ILE A 154
GLY A 149
ALA A 148
 None
 0.99A 4nkxD-4pz2A:
undetectable		 4nkxD-4pz2A:
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.
4qhq LIPOPROTEIN

(Burkholderia
cenocepacia) 		PF03180
(Lipoprotein_9) 		5 LEU A 148
ALA A 198
ASN A 175
ILE A 154
ALA A 130
 None
 0.96A 4nkxD-4qhqA:
undetectable		 4nkxD-4qhqA:
20.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		5 ALA A 126
GLY A 312
ALA A 313
ILE A 382
VAL A 493
 HEM  A 600 (-3.6A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 4.1A)
None
 0.99A 4nkxD-4r1zA:
51.1		 4nkxD-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		8 LEU A 118
ALA A 126
ILE A 218
GLY A 312
ALA A 313
THR A 317
ILE A 382
VAL A 494
 None
HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
HEM  A 600 ( 4.1A)
None
 0.46A 4nkxD-4r1zA:
51.1		 4nkxD-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		8 LEU A 118
ALA A 126
ILE A 218
GLY A 312
ALA A 313
THR A 317
VAL A 493
VAL A 494
 None
HEM  A 600 (-3.6A)
AER  A 601 ( 4.3A)
AER  A 601 ( 3.7A)
HEM  A 600 (-3.5A)
HEM  A 600 ( 3.3A)
None
None
 0.61A 4nkxD-4r1zA:
51.1		 4nkxD-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		6 LEU A 118
ALA A 126
PHE A 127
ILE A 218
THR A 317
ILE A 382
 None
HEM  A 600 (-3.6A)
None
AER  A 601 ( 4.3A)
HEM  A 600 ( 3.3A)
HEM  A 600 ( 4.1A)
 0.63A 4nkxD-4r1zA:
51.1		 4nkxD-4r1zA:
46.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		6 ALA A 120
PHE A 121
GLY A 301
ALA A 302
ILE A 371
VAL A 480
 AER  A 602 (-3.7A)
None
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 4.9A)
AER  A 602 ( 4.9A)
 0.89A 4nkxD-4r20A:
49.2		 4nkxD-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		7 ALA A 120
PHE A 121
GLY A 301
ALA A 302
THR A 306
ILE A 371
VAL A 481
 AER  A 602 (-3.7A)
None
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
HEM  A 601 ( 4.9A)
None
 0.52A 4nkxD-4r20A:
49.2		 4nkxD-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		5 LEU A 112
ILE A 212
ALA A 302
THR A 306
VAL A 480
 AER  A 602 ( 4.8A)
AER  A 602 (-3.2A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
AER  A 602 ( 4.9A)
 0.94A 4nkxD-4r20A:
49.2		 4nkxD-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		6 LEU A 112
ILE A 212
GLY A 301
ALA A 302
THR A 306
ILE A 371
 AER  A 602 ( 4.8A)
AER  A 602 (-3.2A)
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
HEM  A 601 ( 4.9A)
 0.84A 4nkxD-4r20A:
49.2		 4nkxD-4r20A:
44.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r20 CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2

(Danio rerio) 		PF00067
(p450) 		7 LEU A 112
PHE A 121
GLY A 301
ALA A 302
THR A 306
ILE A 371
VAL A 481
 AER  A 602 ( 4.8A)
None
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.3A)
HEM  A 601 ( 4.9A)
None
 0.67A 4nkxD-4r20A:
49.2		 4nkxD-4r20A:
44.09
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.
4trk C. ELEGANS HIM-3

(Caenorhabditis
elegans) 		PF02301
(HORMA) 		5 LEU A  92
PHE A 104
GLY A 280
ALA A 188
ILE A 106
 None
 1.09A 4nkxD-4trkA:
undetectable		 4nkxD-4trkA:
21.49
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.
4u1r ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E, PLATELET TYPE

(Homo sapiens) 		PF00365
(PFK) 		5 ILE A 416
GLY A 507
ALA A 537
ALA A 427
VAL A 429
 None
 1.00A 4nkxD-4u1rA:
undetectable		 4nkxD-4u1rA:
20.96
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.
4ud8 FAD-BINDING AND BBE
DOMAIN-CONTAINING
PROTEIN

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ILE A 158
GLY A 203
ALA A 204
ALA A 210
ILE A 244
 None
None
None
None
FAD  A 601 (-3.8A)
 0.97A 4nkxD-4ud8A:
undetectable		 4nkxD-4ud8A:
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.
4xsv ETHANOLAMINE-PHOSPHA
TE
CYTIDYLYLTRANSFERASE

(Homo sapiens) 		PF01467
(CTP_transf_like) 		5 LEU A 233
PHE A 232
ILE A 245
GLY A 248
VAL A 305
 None
C5P  A 401 (-3.8A)
None
None
None
 1.03A 4nkxD-4xsvA:
undetectable		 4nkxD-4xsvA:
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.
5a0z CHOLINE
TRIMETHYLAMINE LYASE

(Klebsiella
pneumoniae) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 LEU A 865
GLY A 511
ALA A 554
VAL A 550
VAL A 551
 None
 0.93A 4nkxD-5a0zA:
undetectable		 4nkxD-5a0zA:
19.78
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.
5b0u OPLOPHORUS-LUCIFERIN
2-MONOOXYGENASE
CATALYTIC SUBUNIT

(Oplophorus
gracilirostris) 		no annotation 5 LEU A  30
ILE A  76
GLY A  71
VAL A  90
VAL A  80
 None
 0.86A 4nkxD-5b0uA:
undetectable		 4nkxD-5b0uA:
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.
5hh9 PVDN

(Pseudomonas
aeruginosa) 		PF00266
(Aminotran_5) 		5 LEU A 317
PHE A 321
GLY A 261
ALA A 260
VAL A 116
 None
None
PLP  A 501 ( 4.1A)
None
None
 0.99A 4nkxD-5hh9A:
undetectable		 4nkxD-5hh9A:
22.53
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.
5it1 PUTATIVE CYTOCHROME
P450

(Streptomyces
peucetius) 		PF00067
(p450) 		5 LEU A 260
ALA A 273
GLY A 249
ILE A 270
VAL A 361
 None
 1.08A 4nkxD-5it1A:
30.6		 4nkxD-5it1A:
24.71
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.
5k9t PROTEIN TRANSLOCASE
SUBUNIT SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07517
(SecA_DEAD) 		5 ALA A 120
GLY A 151
ALA A  67
VAL A  71
VAL A  70
 None
 1.04A 4nkxD-5k9tA:
undetectable		 4nkxD-5k9tA:
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.
5mmi PLASTID RIBOSOMAL
PROTEIN UL10C

(Spinacia
oleracea) 		PF00466
(Ribosomal_L10) 		5 LEU I  76
PHE I 134
ILE I 122
ALA I 113
ILE I 103
 None
 0.87A 4nkxD-5mmiI:
undetectable		 4nkxD-5mmiI:
20.04
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.
5ugj 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Neisseria
meningitidis) 		no annotation 5 PHE A 221
ILE A 136
ALA A 176
ILE A 150
VAL A 174
 None
 1.10A 4nkxD-5ugjA:
undetectable		 4nkxD-5ugjA:
11.58
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.
5wqn PROBABLE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00106
(adh_short) 		5 LEU A  17
PHE A  21
GLY A 203
ALA A 206
ALA A 212
 None
 0.92A 4nkxD-5wqnA:
undetectable		 4nkxD-5wqnA:
18.98
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.
5xn8 GLYCEROL
DEHYDROGENASE

(unidentified) 		PF00465
(Fe-ADH) 		5 LEU A 309
ALA A 281
ILE A 318
ILE A 256
VAL A 325
 None
 0.96A 4nkxD-5xn8A:
undetectable		 4nkxD-5xn8A:
20.72
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.
5yx2 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3-LIKE

(Homo sapiens) 		no annotation 5 LEU B 371
ASN B 326
ILE B 327
ALA B 244
ILE B 199
 None
 0.82A 4nkxD-5yx2B:
undetectable		 4nkxD-5yx2B:
10.72
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.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1

(Danio rerio) 		no annotation 9 LEU A 118
ALA A 126
PHE A 127
ILE A 218
GLY A 312
ALA A 313
THR A 317
VAL A 493
VAL A 494
 None
HEM  A 601 (-3.8A)
None
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
AER  A 602 ( 4.7A)
None
 0.64A 4nkxD-6b82A:
48.7		 4nkxD-6b82A:
9.72
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.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1

(Danio rerio) 		no annotation 9 LEU A 118
ALA A 126
PHE A 127
ILE A 218
GLY A 312
THR A 317
ILE A 382
VAL A 493
VAL A 494
 None
HEM  A 601 (-3.8A)
None
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 ( 3.7A)
None
AER  A 602 ( 4.7A)
None
 0.65A 4nkxD-6b82A:
48.7		 4nkxD-6b82A:
9.72
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.
6d0n CLC-TYPE
FLUORIDE/PROTON
ANTIPORTER

(Enterococcus
casseliflavus) 		no annotation 5 ALA A 188
GLY A 156
ALA A 155
ALA A 168
ILE A 148
 None
 1.06A 4nkxD-6d0nA:
undetectable		 4nkxD-6d0nA:
10.79
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.
6e85 -

(-) 		no annotation 5 LEU A 178
ILE A 226
GLY A 208
ALA A 207
VAL A 231
 None
 1.04A 4nkxD-6e85A:
undetectable		 4nkxD-6e85A:
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.
1elk TARGET OF MYB1

(Homo sapiens) 		PF00790
(VHS) 		4 ILE A 140
ARG A 145
ASP A 126
VAL A  89
 None
 1.10A 4nkxD-1elkA:
undetectable		 4nkxD-1elkA:
17.26
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.
1gnz GSI-B4 ISOLECTIN

(Griffonia
simplicifolia) 		PF00139
(Lectin_legB) 		4 ILE A 152
ARG A  51
GLU A 128
VAL A 155
 None
 1.27A 4nkxD-1gnzA:
undetectable		 4nkxD-1gnzA:
20.48
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.
1jc2 TROPONIN C, SKELETAL
MUSCLE

(Gallus gallus) 		PF13499
(EF-hand_7) 		4 ILE A 115
ASP A 140
GLU A 135
VAL A 129
 None
 1.18A 4nkxD-1jc2A:
undetectable		 4nkxD-1jc2A:
11.06
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.
1l1l RIBONUCLEOSIDE
TRIPHOSPHATE
REDUCTASE

(Lactobacillus
leichmannii) 		PF02867
(Ribonuc_red_lgC) 		4 ILE A 103
ARG A 224
ASP A 456
VAL A 450
 None
 1.16A 4nkxD-1l1lA:
0.0		 4nkxD-1l1lA:
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.
1n3p LECTIN PAL

(Pterocarpus
angolensis) 		PF00139
(Lectin_legB) 		4 ILE A 154
ARG A  49
GLU A 128
VAL A 157
 None
None
MN  A 271 (-2.8A)
None
 1.27A 4nkxD-1n3pA:
undetectable		 4nkxD-1n3pA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nhc POLYGALACTURONASE I

(Aspergillus
niger) 		PF00295
(Glyco_hydro_28) 		4 ILE A 212
ARG A 262
ASP A 207
VAL A 160
 None
SO4  A2711 (-3.1A)
SO4  A2711 (-3.7A)
None
 1.27A 4nkxD-1nhcA:
0.0		 4nkxD-1nhcA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE
ACETALDEHYDE
DEHYDROGENASE
(ACYLATING)

(Pseudomonas sp.
CF600) 		PF00682
(HMGL-like)
PF01118
(Semialdhyde_dh)
PF07836
(DmpG_comm)
PF09290
(AcetDehyd-dimer) 		4 ILE A 329
ARG A  24
GLU A 326
VAL B 156
 None
SO4  A3513 (-3.7A)
None
None
 1.27A 4nkxD-1nvmA:
0.0		 4nkxD-1nvmA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nxu HYPOTHETICAL
OXIDOREDUCTASE YIAK

(Escherichia
coli) 		PF02615
(Ldh_2) 		4 ILE A 319
ARG A 316
GLU A  38
VAL A  41
 None
 1.13A 4nkxD-1nxuA:
0.0		 4nkxD-1nxuA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ral 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		4 ILE A  42
ARG A   7
ASP A 112
VAL A  61
 None
 1.08A 4nkxD-1ralA:
0.0		 4nkxD-1ralA:
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.
1t5o TRANSLATION
INITIATION FACTOR
EIF2B, SUBUNIT DELTA

(Archaeoglobus
fulgidus) 		PF01008
(IF-2B) 		4 ILE A 212
ARG A 182
ASP A 227
VAL A 250
 None
 1.09A 4nkxD-1t5oA:
undetectable		 4nkxD-1t5oA:
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.
1xq7 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Trypanosoma
cruzi) 		PF00160
(Pro_isomerase) 		4 ILE A  64
ASP A 138
GLU A 144
VAL A  96
 None
 1.23A 4nkxD-1xq7A:
undetectable		 4nkxD-1xq7A:
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.
1yif BETA-1,4-XYLOSIDASE

(Bacillus
subtilis) 		PF04616
(Glyco_hydro_43) 		4 ILE A 232
ARG A 216
ASP A 298
VAL A 304
 None
 1.23A 4nkxD-1yifA:
undetectable		 4nkxD-1yifA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ys2 LIPASE

(Burkholderia
cepacia) 		PF00561
(Abhydrolase_1) 		4 ILE X 290
ARG X 297
GLU X 289
VAL X  84
 None
 1.24A 4nkxD-1ys2X:
undetectable		 4nkxD-1ys2X:
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.
2aam HYPOTHETICAL PROTEIN
TM1410

(Thermotoga
maritima) 		PF03537
(Glyco_hydro_114) 		4 ILE A 158
ARG A 172
ASP A 209
VAL A 219
 None
 0.90A 4nkxD-2aamA:
undetectable		 4nkxD-2aamA:
21.37
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.
2bbh DIVALENT CATION
TRANSPORT-RELATED
PROTEIN

(Thermotoga
maritima) 		PF01544
(CorA) 		4 ILE A  67
ASP A 145
GLU A 141
VAL A 109
 None
 1.06A 4nkxD-2bbhA:
undetectable		 4nkxD-2bbhA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bcc UBIQUINOL CYTOCHROME
C OXIDOREDUCTASE

(Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 ILE A 134
ASP A 142
GLU A 137
VAL A 167
 None
 1.11A 4nkxD-2bccA:
undetectable		 4nkxD-2bccA:
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.
2bvt BETA-1,4-MANNANASE

(Cellulomonas
fimi) 		PF02156
(Glyco_hydro_26) 		4 ILE A  32
ARG A 315
ASP A  25
VAL A  66
 None
 1.13A 4nkxD-2bvtA:
undetectable		 4nkxD-2bvtA:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c3n GLUTATHIONE
S-TRANSFERASE THETA
1

(Homo sapiens) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		4 ILE A 171
ARG A 197
GLU A 199
VAL A 178
 None
 1.17A 4nkxD-2c3nA:
undetectable		 4nkxD-2c3nA:
20.04
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.
2cai GLUTATHIONE
S-TRANSFERASE 28 KDA

(Schistosoma
haematobium) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 ILE A 127
ASP A 137
GLU A 108
VAL A 166
 None
 1.07A 4nkxD-2caiA:
undetectable		 4nkxD-2caiA:
19.07
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.
2dpp NITRILE HYDRATASE
ALPHA SUBUNIT
NITRILE HYDRATASE
BETA SUBUNIT

(Bacillus sp.
RAPc8) 		PF02211
(NHase_beta)
PF02979
(NHase_alpha) 		4 ILE A  47
ARG B 113
GLU A  33
VAL B  80
 None
 1.25A 4nkxD-2dppA:
undetectable		 4nkxD-2dppA:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i1j MOESIN

(Spodoptera
frugiperda) 		PF00373
(FERM_M)
PF00769
(ERM)
PF09379
(FERM_N)
PF09380
(FERM_C) 		4 ILE A 194
ARG A 512
ASP A  88
VAL A 106
 None
 1.08A 4nkxD-2i1jA:
undetectable		 4nkxD-2i1jA:
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.
2i7h NITROREDUCTASE-LIKE
FAMILY PROTEIN

(Bacillus cereus) 		PF00881
(Nitroreductase) 		4 ILE A 162
ARG A 127
ASP A  36
VAL A  95
 None
 0.97A 4nkxD-2i7hA:
undetectable		 4nkxD-2i7hA:
20.27
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.
2im5 NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Porphyromonas
gingivalis) 		PF04095
(NAPRTase) 		4 ILE A 347
ARG A  39
ASP A 100
VAL A  50
 None
 1.26A 4nkxD-2im5A:
undetectable		 4nkxD-2im5A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2inp PHENOL HYDROXYLASE
COMPONENT PHL

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox) 		4 ILE C 286
ARG C 320
ASP C 223
GLU C 290
 None
 1.27A 4nkxD-2inpC:
undetectable		 4nkxD-2inpC:
19.11
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.
2is7 ALDOSE REDUCTASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		4 ILE A  35
ARG A   3
ASP A 105
VAL A  54
 None
 1.10A 4nkxD-2is7A:
undetectable		 4nkxD-2is7A:
19.37
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.
2kdi UBIQUITIN, VACUOLAR
PROTEIN
SORTING-ASSOCIATED
PROTEIN 27 FUSION
PROTEIN

(Saccharomyces
cerevisiae) 		PF00240
(ubiquitin)
PF02809
(UIM) 		4 ILE A  39
ARG A  81
ASP A  61
VAL A  26
 None
 1.17A 4nkxD-2kdiA:
undetectable		 4nkxD-2kdiA:
14.90
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.
2nt8 COBALAMIN
ADENOSYLTRANSFERASE

(Lactobacillus
reuteri) 		PF01923
(Cob_adeno_trans) 		4 ILE A 113
ARG A 132
ASP A 160
VAL A 106
 None
 1.09A 4nkxD-2nt8A:
undetectable		 4nkxD-2nt8A:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o16 ACETOIN UTILIZATION
PROTEIN ACUB,
PUTATIVE

(Vibrio cholerae) 		PF00571
(CBS) 		4 ILE A  67
ARG A  53
ASP A 142
VAL A 130
 None
PO4  A   6 ( 3.1A)
PO4  A   6 ( 2.6A)
None
 0.97A 4nkxD-2o16A:
undetectable		 4nkxD-2o16A:
16.19
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.
2o4u DIMERIC DIHYDRODIOL
DEHYDROGENASE

(Macaca
fascicularis) 		PF01408
(GFO_IDH_MocA) 		4 ILE X1317
ASP X1332
GLU X1320
VAL X1199
 None
PO4  X1338 ( 4.6A)
None
None
 1.18A 4nkxD-2o4uX:
undetectable		 4nkxD-2o4uX:
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.
2od4 HYPOTHETICAL PROTEIN

(uncultured
marine organism) 		no annotation 4 ILE A  75
ARG A  83
GLU A  78
VAL A  33
 None
CL  A 102 (-3.2A)
None
None
 1.13A 4nkxD-2od4A:
undetectable		 4nkxD-2od4A:
14.63
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.
2oyr UPF0341 PROTEIN YHIQ

(Shigella
flexneri) 		PF04445
(SAM_MT) 		4 ILE A  55
ARG A 188
ASP A  48
VAL A  36
 None
 1.24A 4nkxD-2oyrA:
undetectable		 4nkxD-2oyrA:
19.32
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.
2pe6 SMALL
UBIQUITIN-RELATED
MODIFIER 1

(Homo sapiens) 		PF11976
(Rad60-SLD) 		4 ILE B  88
ARG B  70
ASP B  73
VAL B  38
 None
 1.04A 4nkxD-2pe6B:
undetectable		 4nkxD-2pe6B:
12.30
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.
2q5o PHENYLPYRUVATE
DECARBOXYLASE

(Azospirillum
brasilense) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 ILE A 376
ARG A 214
ASP A 245
VAL A 367
 None
PPY  A5003 (-3.3A)
None
None
 1.15A 4nkxD-2q5oA:
undetectable		 4nkxD-2q5oA:
22.13
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.
2qf7 PYRUVATE CARBOXYLASE
PROTEIN

(Rhizobium etli) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ILE A1034
ARG A 429
ASP A 471
VAL A1006
 None
 0.85A 4nkxD-2qf7A:
undetectable		 4nkxD-2qf7A:
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.
2v9q ROUNDABOUT HOMOLOG 1

(Homo sapiens) 		PF07679
(I-set)
PF13927
(Ig_3) 		4 ILE A  78
ASP A 141
GLU A 164
VAL A 246
 None
 1.26A 4nkxD-2v9qA:
undetectable		 4nkxD-2v9qA:
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.
2wm4 PUTATIVE CYTOCHROME
P450 124

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		4 ILE A 175
ASP A 394
GLU A 388
VAL A 134
 None
None
HEM  A 450 ( 4.2A)
None
 1.24A 4nkxD-2wm4A:
29.7		 4nkxD-2wm4A:
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.
2ymv ACG NITROREDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 4 ILE A 285
ASP A 153
GLU A 162
VAL A 213
 None
 1.22A 4nkxD-2ymvA:
undetectable		 4nkxD-2ymvA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zet MELANOPHILIN
RAS-RELATED PROTEIN
RAB-27B

(Mus musculus) 		PF00071
(Ras)
PF02318
(FYVE_2) 		4 ILE C 115
ASP A 127
GLU A 186
VAL A  68
 None
 1.27A 4nkxD-2zetC:
undetectable		 4nkxD-2zetC:
15.85
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.
3amj ZINC PEPTIDASE
ACTIVE SUBUNIT

(Sphingomonas
sp. A1) 		no annotation 4 ILE C 154
ASP C 163
GLU C 157
VAL C 188
 None
None
ZN  C   1 (-1.9A)
None
 1.03A 4nkxD-3amjC:
undetectable		 4nkxD-3amjC:
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.
3efs BIOTIN
[ACETYL-COA-CARBOXYL
ASE] LIGASE

(Aquifex
aeolicus) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		4 ILE A 129
ASP A 147
GLU A 142
VAL A 104
 None
 0.83A 4nkxD-3efsA:
undetectable		 4nkxD-3efsA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gaj COBALAMIN
ADENOSYLTRANSFERASE
PDUO-LIKE PROTEIN

(Lactobacillus
reuteri) 		PF01923
(Cob_adeno_trans) 		4 ILE A 113
ARG A 132
ASP A 160
VAL A 106
 None
MG  A 183 ( 4.6A)
MG  A 183 ( 4.5A)
None
 0.91A 4nkxD-3gajA:
undetectable		 4nkxD-3gajA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gcf TERMINAL OXYGENASE
COMPONENT OF
CARBAZOLE
1,9A-DIOXYGENASE

(Nocardioides
aromaticivorans) 		PF00355
(Rieske)
PF11723
(Aromatic_hydrox) 		4 ILE A 366
ASP A 337
GLU A 182
VAL A 268
 None
FE2  A 501 (-1.9A)
None
None
 1.20A 4nkxD-3gcfA:
undetectable		 4nkxD-3gcfA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gq9 PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		4 ILE A 128
ARG A 145
ASP A 119
VAL A 136
 None
 1.23A 4nkxD-3gq9A:
undetectable		 4nkxD-3gq9A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE

(Aspergillus
parasiticus) 		PF14765
(PS-DH) 		4 ILE A1471
ARG A1485
ASP A1509
VAL A1607
 None
 0.98A 4nkxD-3hrrA:
undetectable		 4nkxD-3hrrA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ig0 DNA GYRASE SUBUNIT B

(Mycobacterium
tuberculosis) 		PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 ILE A 513
ARG A 553
ASP A 645
VAL A 496
 ILE  A 513 ( 0.3A)
ARG  A 553 ( 0.6A)
ASP  A 645 ( 0.6A)
VAL  A 496 ( 0.6A)
 1.16A 4nkxD-3ig0A:
undetectable		 4nkxD-3ig0A:
18.99
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.
3ig0 DNA GYRASE SUBUNIT B

(Mycobacterium
tuberculosis) 		PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 ILE A 513
ARG A 553
ASP A 645
VAL A 502
 ILE  A 513 ( 0.3A)
ARG  A 553 ( 0.6A)
ASP  A 645 ( 0.6A)
VAL  A 502 ( 0.6A)
 1.24A 4nkxD-3ig0A:
undetectable		 4nkxD-3ig0A:
18.99
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.
3itw PROTEIN TIOX

(Micromonospora
sp. ML1) 		PF00903
(Glyoxalase) 		4 ILE A  70
ASP A 108
GLU A 115
VAL A  73
 None
 0.99A 4nkxD-3itwA:
undetectable		 4nkxD-3itwA:
12.74
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.
3k0s DNA MISMATCH REPAIR
PROTEIN MUTS

(Escherichia
coli) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		4 ILE A 503
ASP A 511
GLU A 505
VAL A 465
 None
 0.92A 4nkxD-3k0sA:
undetectable		 4nkxD-3k0sA:
20.84
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.
3ldf PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.776

(Streptococcus
mutans) 		PF10672
(Methyltrans_SAM) 		4 ILE A 153
ASP A 113
GLU A 151
VAL A 128
 None
 1.21A 4nkxD-3ldfA:
undetectable		 4nkxD-3ldfA:
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.
3mca ELONGATION FACTOR 1
ALPHA-LIKE PROTEIN
PROTEIN DOM34

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3) 		4 ILE A 451
ARG B 171
ASP A 410
VAL A 430
 None
 1.21A 4nkxD-3mcaA:
undetectable		 4nkxD-3mcaA:
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.
3nvl 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Trypanosoma
brucei) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 ILE A 382
ARG A 386
GLU A 353
VAL A 360
 None
 1.19A 4nkxD-3nvlA:
undetectable		 4nkxD-3nvlA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o04 BETA-KETO-ACYL
CARRIER PROTEIN
SYNTHASE II

(Listeria
monocytogenes) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ILE A 331
ARG A 226
GLU A 314
VAL A 321
 None
 1.20A 4nkxD-3o04A:
undetectable		 4nkxD-3o04A:
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.
3os4 NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia pestis) 		PF04095
(NAPRTase) 		4 ILE A 129
ARG A 136
ASP A  52
VAL A  98
 None
 1.22A 4nkxD-3os4A:
undetectable		 4nkxD-3os4A:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oyz MALATE SYNTHASE

(Haloferax
volcanii) 		PF03328
(HpcH_HpaI) 		4 ILE A 121
ARG A  89
ASP A 192
VAL A  47
 None
None
MG  A 500 ( 2.9A)
None
 1.09A 4nkxD-3oyzA:
undetectable		 4nkxD-3oyzA:
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.
3qiv SHORT-CHAIN
DEHYDROGENASE OR
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		4 ILE A  57
ASP A  74
GLU A  79
VAL A   7
 None
 1.17A 4nkxD-3qivA:
undetectable		 4nkxD-3qivA:
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.
3quf EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		PF13416
(SBP_bac_8) 		4 ILE A 247
ARG A 237
ASP A 170
VAL A 270
 None
 1.04A 4nkxD-3qufA:
undetectable		 4nkxD-3qufA:
24.18
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.
3riq TAILSPIKE PROTEIN

(Salmonella
virus 9NA) 		PF09251
(PhageP22-tail) 		4 ILE A 453
ASP A 497
GLU A 475
VAL A 491
 None
 1.11A 4nkxD-3riqA:
undetectable		 4nkxD-3riqA:
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.
3sfz APOPTOTIC PEPTIDASE
ACTIVATING FACTOR 1

(Mus musculus) 		PF00400
(WD40)
PF00931
(NB-ARC)
PF12894
(ANAPC4_WD40) 		4 ILE A 370
ARG A 343
GLU A 366
VAL A 323
 None
 0.98A 4nkxD-3sfzA:
undetectable		 4nkxD-3sfzA:
18.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u44 ATP-DEPENDENT
HELICASE/DEOXYRIBONU
CLEASE SUBUNIT B

(Bacillus
subtilis) 		PF12705
(PDDEXK_1) 		4 ILE B  19
ARG B 283
GLU B  50
VAL B  65
 None
 0.98A 4nkxD-3u44B:
undetectable		 4nkxD-3u44B:
18.77
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.
3v98 ARACHIDONATE
5-LIPOXYGENASE

(Homo sapiens) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 ILE A 155
ASP A 511
GLU A 376
VAL A 400
 None
 1.26A 4nkxD-3v98A:
undetectable		 4nkxD-3v98A:
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.
4bla MALTOSE-BINDING
PERIPLASMIC PROTEIN,
SUPPRESSOR OF FUSED
HOMOLOG

(Escherichia
coli;
Homo sapiens) 		PF05076
(SUFU)
PF12470
(SUFU_C)
PF13416
(SBP_bac_8) 		4 ILE A 377
ASP A 522
GLU A 459
VAL A 411
 None
 1.24A 4nkxD-4blaA:
undetectable		 4nkxD-4blaA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cek REGULATOR OF
NONSENSE TRANSCRIPTS
2

(Homo sapiens) 		PF02854
(MIF4G) 		4 ILE A 660
ASP A 694
GLU A 701
VAL A 667
 None
 1.16A 4nkxD-4cekA:
undetectable		 4nkxD-4cekA:
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.
4cgy DNA TOPOISOMERASE
3-ALPHA

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		4 ILE A  70
ASP A 128
GLU A 136
VAL A  39
 None
 1.07A 4nkxD-4cgyA:
undetectable		 4nkxD-4cgyA:
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.
4da9 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		4 ILE A  59
ASP A  76
GLU A  81
VAL A   8
 None
 1.17A 4nkxD-4da9A:
undetectable		 4nkxD-4da9A:
19.96
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.
4ffu OXIDASE

(Sinorhizobium
meliloti) 		PF01575
(MaoC_dehydratas) 		4 ARG A 120
ASP A  86
GLU A 123
VAL A  69
 None
 1.25A 4nkxD-4ffuA:
undetectable		 4nkxD-4ffuA:
17.85
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.
4k3c OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

([Haemophilus]
ducreyi) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		4 ILE A 412
ASP A 359
GLU A 352
VAL A 395
 None
 1.17A 4nkxD-4k3cA:
undetectable		 4nkxD-4k3cA:
21.15
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.
4l1f ACYL-COA
DEHYDROGENASE DOMAIN
PROTEIN

(Acidaminococcus
fermentans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ILE A 292
ASP A  81
GLU A 255
VAL A 299
 None
 1.23A 4nkxD-4l1fA:
undetectable		 4nkxD-4l1fA:
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.
4l4i RYANODINE RECEPTOR 2

(Mus musculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		4 ILE A 419
ARG A 414
ASP A 458
VAL A 498
 None
GOL  A 601 (-3.3A)
GOL  A 601 (-4.5A)
None
 1.21A 4nkxD-4l4iA:
undetectable		 4nkxD-4l4iA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lza ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Thermoanaerobacter
pseudethanolicus) 		PF00156
(Pribosyltran) 		4 ILE A 128
ARG A 157
ASP A 164
VAL A 135
 None
CL  A 201 ( 4.6A)
None
None
 1.19A 4nkxD-4lzaA:
undetectable		 4nkxD-4lzaA:
18.62
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.
4mtk VGRG1

(Pseudomonas
aeruginosa) 		PF05954
(Phage_GPD) 		4 ILE A 108
ARG A 157
ASP A 439
VAL A 390
 None
 1.26A 4nkxD-4mtkA:
undetectable		 4nkxD-4mtkA:
20.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		5 ILE A 206
ARG A 239
ASP A 298
GLU A 305
VAL A 366
 3QZ  A 601 ( 4.6A)
3QZ  A 601 ( 4.4A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 4.9A)
HEM  A 600 ( 3.4A)
 0.29A 4nkxD-4nkyA:
60.4		 4nkxD-4nkyA:
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.
4nsp ENDONUCLEASE V

(Homo sapiens) 		PF04493
(Endonuclease_5) 		4 ILE A 209
ARG A 222
ASP A  32
VAL A 130
 None
 1.24A 4nkxD-4nspA:
undetectable		 4nkxD-4nspA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nv1 FORMYLTRANSFERASE

(Francisella
tularensis) 		no annotation 4 ILE C 224
ASP C 198
GLU C 194
VAL C 233
 None
 1.12A 4nkxD-4nv1C:
undetectable		 4nkxD-4nv1C:
19.36
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.
4oht SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00171
(Aldedh) 		4 ILE A 368
ARG A 255
ASP A 233
VAL A 371
 None
 1.17A 4nkxD-4ohtA:
undetectable		 4nkxD-4ohtA:
23.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		4 ARG A 252
ASP A 309
GLU A 316
VAL A 377
 None
AER  A 601 ( 4.1A)
None
HEM  A 600 (-4.6A)
 0.77A 4nkxD-4r1zA:
51.1		 4nkxD-4r1zA:
46.37
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.
4r9g MBP1

(Caldanaerobius
polysaccharolyticus) 		PF13416
(SBP_bac_8) 		4 ILE A 344
ASP A 359
GLU A 271
VAL A 368
 None
 1.27A 4nkxD-4r9gA:
undetectable		 4nkxD-4r9gA:
22.61
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.
4rcn LONG-CHAIN ACYL-COA
CARBOXYLASE

(Mycobacterium
avium) 		PF00289
(Biotin_carb_N)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ILE A 293
ARG A 352
ASP A 399
VAL A   7
 None
 1.22A 4nkxD-4rcnA:
undetectable		 4nkxD-4rcnA:
18.03
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.
4zve DIGUANYLATE CYCLASE
DOSC

(Escherichia
coli) 		PF00990
(GGDEF) 		4 ILE A 420
ARG A 450
ASP A 376
VAL A 370
 None
CIT  A 501 ( 3.2A)
CIT  A 501 (-3.6A)
None
 1.27A 4nkxD-4zveA:
undetectable		 4nkxD-4zveA:
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.
5eaw DNA REPLICATION
ATP-DEPENDENT
HELICASE/NUCLEASE
DNA2

(Mus musculus) 		PF08696
(Dna2)
PF13086
(AAA_11)
PF13087
(AAA_12) 		4 ILE A 665
ARG A 782
ASP A 758
VAL A 695
 None
 1.27A 4nkxD-5eawA:
undetectable		 4nkxD-5eawA:
19.70
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.
5ej1 PUTATIVE CELLULOSE
SYNTHASE

(Rhodobacter
sphaeroides) 		PF00535
(Glycos_transf_2)
PF03552
(Cellulose_synt)
PF07238
(PilZ) 		4 ILE A 672
ARG A 580
ASP A 609
VAL A 653
 C2E  A 919 (-3.5A)
C2E  A 920 ( 3.7A)
C2E  A 919 (-3.2A)
None
 0.88A 4nkxD-5ej1A:
undetectable		 4nkxD-5ej1A:
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.
5fav CHOLINE
TRIMETHYLAMINE-LYASE

(Desulfovibrio
alaskensis) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 ILE A 622
ARG A 630
ASP A 540
VAL A 516
 None
 1.14A 4nkxD-5favA:
undetectable		 4nkxD-5favA:
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.
5irp ALANINE RACEMASE 2

(Bacillus
subtilis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 ILE A 284
ARG A 264
GLU A 282
VAL A 312
 None
None
MG  A 414 (-3.4A)
None
 1.07A 4nkxD-5irpA:
undetectable		 4nkxD-5irpA:
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.
5lxv CARBOHYDRATE-BINDING
PROTEIN WP_009985128
SCAFFOLDIN C

(Ruminococcus
flavefaciens) 		PF00963
(Cohesin)
no annotation 		4 ILE A 102
ARG B 908
ASP A  77
VAL A  24
 None
 1.20A 4nkxD-5lxvA:
undetectable		 4nkxD-5lxvA:
17.97
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.
5m6g BETA-GLUCOSIDASE

(Saccharopolyspora
erythraea) 		no annotation 4 ILE A 465
ARG A 406
ASP A 576
VAL A 535
 None
 0.79A 4nkxD-5m6gA:
undetectable		 4nkxD-5m6gA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nmi CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL

(Bos taurus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 ILE A 134
ASP A 142
GLU A 137
VAL A 167
 None
 1.19A 4nkxD-5nmiA:
undetectable		 4nkxD-5nmiA:
22.03
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.
5nno ALDEHYDE
DEHYDROGENASE

(Trypanosoma
brucei) 		PF00171
(Aldedh) 		4 ILE A  61
ASP A  70
GLU A  76
VAL A  50
 None
 1.13A 4nkxD-5nnoA:
undetectable		 4nkxD-5nnoA:
21.31
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.
5oa3 EUKARYOTIC
TRANSLATION
INITIATION FACTOR 2D

(Homo sapiens) 		no annotation 4 ILE 0 443
ARG 0 412
ASP 0 458
VAL 0 452
 None
 1.20A 4nkxD-5oa30:
undetectable		 4nkxD-5oa30:
20.96
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.
5olc GALACTONATE
DEHYDRATASE

(Zobellia
galactanivorans) 		no annotation 4 ILE A  33
ASP A 102
GLU A  47
VAL A 363
 None
 1.17A 4nkxD-5olcA:
undetectable		 4nkxD-5olcA:
9.48
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.
5thw DEACYLASE

(Burkholderia
multivorans) 		PF01546
(Peptidase_M20) 		4 ARG A  55
ASP A  98
GLU A 179
VAL A 171
 None
 1.22A 4nkxD-5thwA:
undetectable		 4nkxD-5thwA:
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.
5tu0 LMO2125 PROTEIN

(Listeria
monocytogenes) 		PF13416
(SBP_bac_8) 		4 ILE A 141
ASP A 335
GLU A 339
VAL A 361
 None
 1.20A 4nkxD-5tu0A:
undetectable		 4nkxD-5tu0A:
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.
5vjw RHIZOBIALES-LIKE
PHOSPHATASE 2

(Arabidopsis
thaliana) 		no annotation 4 ILE A 210
ASP A 195
GLU A 192
VAL A  75
 None
 1.22A 4nkxD-5vjwA:
undetectable		 4nkxD-5vjwA:
10.61
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.
5xwu LEUCINE-RICH REPEAT
AND FIBRONECTIN TYPE
III
DOMAIN-CONTAINING
PROTEIN 1

(Mus musculus) 		no annotation 4 ILE B  77
ARG B  98
ASP B 121
VAL B 104
 None
 1.26A 4nkxD-5xwuB:
undetectable		 4nkxD-5xwuB:
10.04
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.
5yll BETA-1,4-MANNANASE

(Amphibacillus
xylanus) 		no annotation 4 ILE B 120
ASP B 152
GLU B 160
VAL B 140
 None
 1.25A 4nkxD-5yllB:
undetectable		 4nkxD-5yllB:
9.82
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.
6cty DIHYDROOROTASE

(Yersinia pestis) 		no annotation 4 ILE A 150
ARG A 156
ASP A 183
GLU A 142
 None
 1.23A 4nkxD-6ctyA:
undetectable		 4nkxD-6ctyA:
10.29
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.
6dft

() 		no annotation 4 ILE A 329
ARG B 270
GLU A 166
VAL A 227
 None
 1.03A 4nkxD-6dftA:
undetectable		 4nkxD-6dftA:
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.
6eyy ACRIIA6

(Streptococcus
phage 73) 		no annotation 4 ILE A 175
ARG A 168
ASP A 113
GLU A 176
 None
 1.21A 4nkxD-6eyyA:
undetectable		 4nkxD-6eyyA:
8.72
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.
6ft5 -

(-) 		no annotation 4 ILE A  77
ARG A  81
GLU A  49
VAL A  21
 None
 1.21A 4nkxD-6ft5A:
undetectable		 4nkxD-6ft5A:
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.
6g72 NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
13
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
5

(Mus musculus) 		no annotation 4 ILE e  40
ARG Z 114
ASP e  61
GLU e  36
 None
 1.08A 4nkxD-6g72e:
undetectable		 4nkxD-6g72e:
9.87
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.
6g72 NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT 4

(Mus musculus) 		no annotation 4 ILE m 115
ARG m 110
ASP m 107
GLU m 112
 None
 1.26A 4nkxD-6g72m:
undetectable		 4nkxD-6g72m:
10.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ged PRGB

(Enterococcus
faecalis) 		no annotation 4 ARG A 406
ASP A 411
GLU A 455
VAL A 474
 None
None
NA  A 601 (-2.9A)
None
 1.26A 4nkxD-6gedA:
undetectable		 4nkxD-6gedA:
10.66