SIMILAR PATTERNS OF AMINO ACIDS FOR 4NKX_C_STRC601

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.
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
 1.09A 4nkxC-1h5qA:
undetectable		 4nkxC-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
 1.11A 4nkxC-1jaeA:
undetectable		 4nkxC-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
 1.11A 4nkxC-1jx2A:
undetectable		 4nkxC-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
 1.02A 4nkxC-1kigH:
undetectable		 4nkxC-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)
 1.07A 4nkxC-1nr6A:
44.0		 4nkxC-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.
1ot5 KEXIN

(Saccharomyces
cerevisiae) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 ALA A 386
ILE A 447
GLY A 337
ALA A 338
ILE A 368
 None
 1.04A 4nkxC-1ot5A:
undetectable		 4nkxC-1ot5A:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.04A 4nkxC-1pffA:
undetectable		 4nkxC-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)
 1.06A 4nkxC-1rrmA:
undetectable		 4nkxC-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
 0.93A 4nkxC-1svdA:
undetectable		 4nkxC-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
 1.03A 4nkxC-1vrdA:
undetectable		 4nkxC-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.
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 4nkxC-1wljA:
undetectable		 4nkxC-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
 0.94A 4nkxC-1xcfA:
undetectable		 4nkxC-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.
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
 0.90A 4nkxC-2apoA:
undetectable		 4nkxC-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 4nkxC-2czcA:
undetectable		 4nkxC-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
 0.85A 4nkxC-2d4yA:
undetectable		 4nkxC-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
 1.06A 4nkxC-2drhA:
undetectable		 4nkxC-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
 1.04A 4nkxC-2dvmA:
undetectable		 4nkxC-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.
2gfi PHYTASE

(Debaryomyces
castellii) 		PF00328
(His_Phos_2) 		5 ASN A 222
GLY A 301
ALA A 300
THR A 305
ILE A 371
 None
 1.03A 4nkxC-2gfiA:
undetectable		 4nkxC-2gfiA:
21.51
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)
 0.51A 4nkxC-2hi4A:
41.1		 4nkxC-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 4nkxC-2hruA:
undetectable		 4nkxC-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 4nkxC-2icyA:
undetectable		 4nkxC-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
 1.06A 4nkxC-2kgyA:
undetectable		 4nkxC-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 4nkxC-2kzrA:
undetectable		 4nkxC-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.
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
 1.06A 4nkxC-2o39A:
undetectable		 4nkxC-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
 0.80A 4nkxC-2pg8A:
undetectable		 4nkxC-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.
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
 1.06A 4nkxC-2uzzA:
undetectable		 4nkxC-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.
2vjh PHYCOERYTHRIN ALPHA
CHAIN
PHYCOERYTHRIN BETA
SUBUNIT

(Gloeobacter
violaceus) 		PF00502
(Phycobilisome) 		5 LEU B  38
ASN A  30
ALA B  99
ALA A  12
VAL A   8
 PEB  B1158 (-4.2A)
None
None
None
None
 1.09A 4nkxC-2vjhB:
undetectable		 4nkxC-2vjhB:
16.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x4g NUCLEOSIDE-DIPHOSPHA
TE-SUGAR EPIMERASE

(Pseudomonas
aeruginosa) 		PF01370
(Epimerase) 		5 LEU A  52
ALA A  28
ILE A  49
GLY A  19
ILE A  32
 None
 1.02A 4nkxC-2x4gA:
undetectable		 4nkxC-2x4gA:
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.
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
 1.05A 4nkxC-3bxzA:
undetectable		 4nkxC-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.
3dhw METHIONINE IMPORT
ATP-BINDING PROTEIN
METN

(Escherichia
coli) 		PF00005
(ABC_tran)
PF09383
(NIL) 		5 LEU C 162
ALA C 167
ALA C 150
ILE C 179
VAL C 128
 None
 1.08A 4nkxC-3dhwC:
undetectable		 4nkxC-3dhwC:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f6r FLAVODOXIN

(Desulfovibrio
desulfuricans) 		PF00258
(Flavodoxin_1) 		5 LEU A  22
PHE A 140
ILE A   6
GLY A  56
VAL A  88
 None
 1.04A 4nkxC-3f6rA:
undetectable		 4nkxC-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
 1.05A 4nkxC-3frkA:
undetectable		 4nkxC-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
 0.98A 4nkxC-3hjlA:
undetectable		 4nkxC-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.
3hzt CALCIUM-DEPENDENT
PROTEIN KINASE 3

(Toxoplasma
gondii) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 LEU A 161
PHE A 162
ILE A 216
ALA A 176
ILE A 267
 None
 1.03A 4nkxC-3hztA:
undetectable		 4nkxC-3hztA:
22.10
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.
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 4nkxC-3i2dA:
undetectable		 4nkxC-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
 0.97A 4nkxC-3i5tA:
undetectable		 4nkxC-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.
3iv6 PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		no annotation 5 LEU A 202
ALA A 189
GLY A 183
ALA A 182
ILE A 152
 None
 0.94A 4nkxC-3iv6A:
undetectable		 4nkxC-3iv6A:
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.
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
 1.10A 4nkxC-3j9uC:
undetectable		 4nkxC-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
 0.83A 4nkxC-3k5wA:
undetectable		 4nkxC-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.
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
 1.03A 4nkxC-3ltlA:
undetectable		 4nkxC-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
 1.09A 4nkxC-3lzkA:
undetectable		 4nkxC-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.
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
 0.99A 4nkxC-3noqA:
undetectable		 4nkxC-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)
 0.51A 4nkxC-3pm0A:
41.5		 4nkxC-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
 1.01A 4nkxC-3pocA:
undetectable		 4nkxC-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 4nkxC-3ppsA:
undetectable		 4nkxC-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.
3pr2 TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Salmonella
enterica) 		PF00290
(Trp_syntA) 		5 LEU A  48
ILE A  95
GLY A  44
ALA A  43
ILE A  36
 None
 0.96A 4nkxC-3pr2A:
undetectable		 4nkxC-3pr2A:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.84A 4nkxC-3tm9A:
undetectable		 4nkxC-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
 0.94A 4nkxC-3ublA:
undetectable		 4nkxC-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)
 0.96A 4nkxC-3v9pA:
undetectable		 4nkxC-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 4nkxC-4ayiD:
undetectable		 4nkxC-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.
4b9f CELLULOSOMAL-SCAFFOL
DING PROTEIN A

(Ruminiclostridium
thermocellum) 		PF00942
(CBM_3) 		5 PHE A  96
ILE A  32
ILE A 109
VAL A  24
VAL A   4
 None
 1.10A 4nkxC-4b9fA:
undetectable		 4nkxC-4b9fA:
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.
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
 0.99A 4nkxC-4bo6A:
undetectable		 4nkxC-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
 0.89A 4nkxC-4c0rA:
undetectable		 4nkxC-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
 0.97A 4nkxC-4doeA:
undetectable		 4nkxC-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.
4e6y CITRATE SYNTHASE

(Vibrio
vulnificus) 		PF00285
(Citrate_synt) 		5 LEU A 142
ILE A 118
ALA A 173
ILE A 257
VAL A 134
 None
 0.90A 4nkxC-4e6yA:
undetectable		 4nkxC-4e6yA:
22.24
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.
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
 0.89A 4nkxC-4efcA:
undetectable		 4nkxC-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
 0.93A 4nkxC-4ehjA:
undetectable		 4nkxC-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
 0.99A 4nkxC-4g6bA:
undetectable		 4nkxC-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)
 0.50A 4nkxC-4i8vA:
42.4		 4nkxC-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.
4imp POLYKETIDE SYNTHASE
EXTENDER MODULES 3-4

(Saccharopolyspora
spinosa) 		PF08659
(KR) 		5 ALA A 148
GLY A 189
ALA A 190
THR A 434
ILE A 164
 None
 1.02A 4nkxC-4impA:
undetectable		 4nkxC-4impA:
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.
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
 1.00A 4nkxC-4jwoA:
undetectable		 4nkxC-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
 0.96A 4nkxC-4n40A:
undetectable		 4nkxC-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 4nkxC-4nkyA:
60.7		 4nkxC-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)
 0.26A 4nkxC-4nkyA:
60.7		 4nkxC-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.
4p52 HOMOSERINE KINASE

(Cytophaga
hutchinsonii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 LEU A 214
PHE A 151
ILE A 222
ALA A 173
VAL A  16
 None
 1.10A 4nkxC-4p52A:
undetectable		 4nkxC-4p52A:
20.44
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
 1.01A 4nkxC-4r1zA:
51.2		 4nkxC-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 4nkxC-4r1zA:
51.2		 4nkxC-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
 0.63A 4nkxC-4r1zA:
51.2		 4nkxC-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) 		7 LEU A 118
ALA A 126
PHE A 127
ILE A 218
THR A 317
ILE A 382
VAL A 494
 None
HEM  A 600 (-3.6A)
None
AER  A 601 ( 4.3A)
HEM  A 600 ( 3.3A)
HEM  A 600 ( 4.1A)
None
 0.65A 4nkxC-4r1zA:
51.2		 4nkxC-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
ASN A 209
GLY A 301
ALA A 302
ILE A 371
VAL A 480
 AER  A 602 (-3.7A)
AER  A 602 (-4.5A)
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 4.9A)
AER  A 602 ( 4.9A)
 1.05A 4nkxC-4r20A:
49.3		 4nkxC-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 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)
 0.90A 4nkxC-4r20A:
49.3		 4nkxC-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
 0.48A 4nkxC-4r20A:
49.3		 4nkxC-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
ASN A 209
ILE A 212
ALA A 302
VAL A 480
 AER  A 602 ( 4.8A)
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
HEM  A 601 (-3.4A)
AER  A 602 ( 4.9A)
 0.81A 4nkxC-4r20A:
49.3		 4nkxC-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
ASN A 209
ILE A 212
GLY A 301
ALA A 302
ILE A 371
 AER  A 602 ( 4.8A)
AER  A 602 (-4.5A)
AER  A 602 (-3.2A)
AER  A 602 ( 3.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 4.9A)
 0.86A 4nkxC-4r20A:
49.3		 4nkxC-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)
 0.98A 4nkxC-4r20A:
49.3		 4nkxC-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 4nkxC-4r20A:
49.3		 4nkxC-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 4nkxC-4r20A:
49.3		 4nkxC-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 4nkxC-4trkA:
undetectable		 4nkxC-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
 0.99A 4nkxC-4u1rA:
undetectable		 4nkxC-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)
 0.99A 4nkxC-4ud8A:
undetectable		 4nkxC-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.
4uu5 MAGUK P55 SUBFAMILY
MEMBER 5

(Homo sapiens) 		PF00595
(PDZ) 		5 LEU A 321
ALA A 269
ASN A 305
ILE A 280
VAL A 301
 None
 1.06A 4nkxC-4uu5A:
undetectable		 4nkxC-4uu5A:
13.83
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.
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
 1.05A 4nkxC-4xsvA:
undetectable		 4nkxC-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.
4ys8 2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLYLTRANSFERASE

(Burkholderia
thailandensis) 		PF01128
(IspD) 		5 LEU A 105
ILE A 119
GLY A 124
ALA A 125
VAL A 135
 None
 1.11A 4nkxC-4ys8A:
undetectable		 4nkxC-4ys8A:
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.
4zas CALS13

(Micromonospora
echinospora) 		PF01041
(DegT_DnrJ_EryC1) 		5 GLY A  65
ALA A 137
ILE A 103
VAL A 139
VAL A 171
 None
 1.06A 4nkxC-4zasA:
undetectable		 4nkxC-4zasA:
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.
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
 0.89A 4nkxC-5b0uA:
undetectable		 4nkxC-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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 PHE A  66
GLY A  51
ALA A  52
ILE A  75
VAL A  42
 None
 0.98A 4nkxC-5ecxA:
undetectable		 4nkxC-5ecxA:
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.
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
 0.96A 4nkxC-5hh9A:
undetectable		 4nkxC-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.
5huu ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
[UDP-FORMING]

(Candida
albicans) 		PF00982
(Glyco_transf_20) 		5 LEU A 298
PHE A 294
ILE A 305
ILE A 275
VAL A 272
 None
 0.87A 4nkxC-5huuA:
undetectable		 4nkxC-5huuA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4nkxC-5it1A:
30.7		 4nkxC-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
 1.06A 4nkxC-5k9tA:
undetectable		 4nkxC-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
 0.90A 4nkxC-5mmiI:
undetectable		 4nkxC-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.
5uid AMINOTRANSFERASE
TLMJ

(Streptoalloteichus
hindustanus) 		PF01041
(DegT_DnrJ_EryC1) 		5 GLY A  61
ALA A 125
ILE A  91
VAL A 127
VAL A 153
 None
 1.00A 4nkxC-5uidA:
undetectable		 4nkxC-5uidA:
21.16
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.
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
 0.90A 4nkxC-5wqnA:
undetectable		 4nkxC-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 4nkxC-5xn8A:
undetectable		 4nkxC-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
 0.84A 4nkxC-5yx2B:
undetectable		 4nkxC-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
ILE A 218
GLY A 312
ALA A 313
THR A 317
ILE A 382
VAL A 493
VAL A 494
 None
HEM  A 601 (-3.8A)
AER  A 602 (-3.9A)
AER  A 602 ( 3.7A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
None
AER  A 602 ( 4.7A)
None
 0.63A 4nkxC-6b82A:
48.9		 4nkxC-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
ALA A 313
THR A 317
ILE A 382
VAL A 493
VAL A 494
 None
HEM  A 601 (-3.8A)
None
AER  A 602 (-3.9A)
HEM  A 601 (-3.6A)
HEM  A 601 ( 3.7A)
None
AER  A 602 ( 4.7A)
None
 0.67A 4nkxC-6b82A:
48.9		 4nkxC-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.
6baq BPI FOLD-CONTAINING
FAMILY A MEMBER 1

(Mus musculus) 		no annotation 5 LEU A  80
PHE A  76
ALA A 189
ILE A 264
VAL A 200
 None
 1.10A 4nkxC-6baqA:
undetectable		 4nkxC-6baqA:
9.70
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.
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
 1.04A 4nkxC-6d0nA:
undetectable		 4nkxC-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
 1.03A 4nkxC-6e85A:
undetectable		 4nkxC-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
 1.09A 4nkxC-1elkA:
undetectable		 4nkxC-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.
1h7g 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Escherichia
coli) 		PF02348
(CTP_transf_3) 		4 ILE A 212
ARG A 179
ASP A 117
VAL A 144
 None
 1.25A 4nkxC-1h7gA:
0.0		 4nkxC-1h7gA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4nkxC-1jc2A:
undetectable		 4nkxC-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
 1.19A 4nkxC-1l1lA:
0.0		 4nkxC-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.
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
 1.24A 4nkxC-1nhcA:
0.0		 4nkxC-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.
1nxu HYPOTHETICAL
OXIDOREDUCTASE YIAK

(Escherichia
coli) 		PF02615
(Ldh_2) 		4 ILE A 319
ARG A 316
GLU A  38
VAL A  41
 None
 1.11A 4nkxC-1nxuA:
0.0		 4nkxC-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
 1.06A 4nkxC-1ralA:
0.0		 4nkxC-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.
1sy6 OKT3 FAB HEAVY CHAIN
T-CELL SURFACE
GLYCOPROTEIN CD3
GAMMA/EPSILON CHAIN

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF16680
(Ig_4)
PF16681
(Ig_5) 		4 ILE A 151
ARG H  31
ASP H 102
VAL A 182
 None
 1.22A 4nkxC-1sy6A:
undetectable		 4nkxC-1sy6A:
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.
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
 1.08A 4nkxC-1t5oA:
undetectable		 4nkxC-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.
1v02 DHURRINASE

(Sorghum bicolor) 		PF00232
(Glyco_hydro_1) 		4 ILE A 410
ARG A 426
ASP A 457
GLU A 467
 None
 1.19A 4nkxC-1v02A:
0.0		 4nkxC-1v02A:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xov PLY PROTEIN

(Listeria virus
PSA) 		PF01520
(Amidase_3) 		4 ILE A  49
ASP A  36
GLU A  28
VAL A  78
 None
 1.15A 4nkxC-1xovA:
undetectable		 4nkxC-1xovA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ykd ADENYLATE CYCLASE

(Anabaena sp.) 		PF01590
(GAF) 		4 ILE A 139
ASP A 136
GLU A 142
VAL A 194
 CMP  A 501 (-4.2A)
None
None
None
 1.16A 4nkxC-1ykdA:
undetectable		 4nkxC-1ykdA:
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.
1ys2 LIPASE

(Burkholderia
cepacia) 		PF00561
(Abhydrolase_1) 		4 ILE X 290
ARG X 297
GLU X 289
VAL X  84
 None
 1.22A 4nkxC-1ys2X:
undetectable		 4nkxC-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
 0.89A 4nkxC-2aamA:
undetectable		 4nkxC-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 4nkxC-2bbhA:
undetectable		 4nkxC-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
 1.07A 4nkxC-2bccA:
undetectable		 4nkxC-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
 1.09A 4nkxC-2bvtA:
undetectable		 4nkxC-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
 1.16A 4nkxC-2c3nA:
undetectable		 4nkxC-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
 1.08A 4nkxC-2caiA:
undetectable		 4nkxC-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
 1.22A 4nkxC-2dppA:
undetectable		 4nkxC-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.
2e0p ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF12891
(Glyco_hydro_44) 		4 ILE A 372
ARG A 315
ASP A 428
VAL A 504
 None
 1.20A 4nkxC-2e0pA:
undetectable		 4nkxC-2e0pA:
20.07
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.
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
 1.03A 4nkxC-2i1jA:
undetectable		 4nkxC-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
 0.99A 4nkxC-2i7hA:
undetectable		 4nkxC-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.
2iiz MELANIN BIOSYNTHESIS
PROTEIN TYRA,
PUTATIVE

(Shewanella
oneidensis) 		PF04261
(Dyp_perox) 		4 ILE A  98
ASP A 101
GLU A 133
VAL A 182
 None
 1.17A 4nkxC-2iizA:
undetectable		 4nkxC-2iizA:
18.07
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.
2is7 ALDOSE REDUCTASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		4 ILE A  35
ARG A   3
ASP A 105
VAL A  54
 None
 1.08A 4nkxC-2is7A:
undetectable		 4nkxC-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
 1.14A 4nkxC-2kdiA:
undetectable		 4nkxC-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.
2mbr URIDINE
DIPHOSPHO-N-ACETYLEN
OLPYRUVYLGLUCOSAMINE
REDUCTASE

(Escherichia
coli) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		4 ILE A 162
ASP A 169
GLU A 166
VAL A 147
 None
 0.82A 4nkxC-2mbrA:
undetectable		 4nkxC-2mbrA:
19.27
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.
2nt8 COBALAMIN
ADENOSYLTRANSFERASE

(Lactobacillus
reuteri) 		PF01923
(Cob_adeno_trans) 		4 ILE A 113
ARG A 132
ASP A 160
VAL A 106
 None
 1.08A 4nkxC-2nt8A:
undetectable		 4nkxC-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 4nkxC-2o16A:
undetectable		 4nkxC-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.
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
 1.19A 4nkxC-2od4A:
undetectable		 4nkxC-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
 1.25A 4nkxC-2oyrA:
undetectable		 4nkxC-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
 1.00A 4nkxC-2pe6B:
undetectable		 4nkxC-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 4nkxC-2q5oA:
undetectable		 4nkxC-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
 0.84A 4nkxC-2qf7A:
undetectable		 4nkxC-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
 1.20A 4nkxC-2v9qA:
undetectable		 4nkxC-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.
2xva TELLURITE RESISTANCE
PROTEIN TEHB

(Escherichia
coli) 		PF03848
(TehB) 		4 ILE A  74
ASP A  78
GLU A  75
VAL A  68
 None
 1.05A 4nkxC-2xvaA:
undetectable		 4nkxC-2xvaA:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ymv ACG NITROREDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 4 ILE A 285
ASP A 153
GLU A 162
VAL A 213
 None
 1.21A 4nkxC-2ymvA:
undetectable		 4nkxC-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
 1.24A 4nkxC-2zetC:
undetectable		 4nkxC-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
 1.05A 4nkxC-3amjC:
undetectable		 4nkxC-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.
3bfn KINESIN-LIKE PROTEIN
KIF22

(Homo sapiens) 		PF00225
(Kinesin) 		4 ILE A 205
ARG A 202
GLU A 199
VAL A 196
 None
 0.86A 4nkxC-3bfnA:
undetectable		 4nkxC-3bfnA:
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.
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 4nkxC-3efsA:
undetectable		 4nkxC-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
 0.92A 4nkxC-3gajA:
undetectable		 4nkxC-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
 1.19A 4nkxC-3gcfA:
undetectable		 4nkxC-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
 1.24A 4nkxC-3gq9A:
undetectable		 4nkxC-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.
3h1l MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN I

(Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 ILE A 134
ASP A 142
GLU A 137
VAL A 167
 None
 1.24A 4nkxC-3h1lA:
undetectable		 4nkxC-3h1lA:
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.
3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE

(Aspergillus
parasiticus) 		PF14765
(PS-DH) 		4 ILE A1471
ARG A1485
ASP A1509
VAL A1607
 None
 0.94A 4nkxC-3hrrA:
undetectable		 4nkxC-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)
 1.17A 4nkxC-3ig0A:
undetectable		 4nkxC-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
 1.00A 4nkxC-3itwA:
undetectable		 4nkxC-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
 0.94A 4nkxC-3k0sA:
undetectable		 4nkxC-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
 1.22A 4nkxC-3ldfA:
undetectable		 4nkxC-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
 1.19A 4nkxC-3mcaA:
undetectable		 4nkxC-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
 1.21A 4nkxC-3nvlA:
undetectable		 4nkxC-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
 1.21A 4nkxC-3o04A:
undetectable		 4nkxC-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
 1.20A 4nkxC-3os4A:
undetectable		 4nkxC-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 4nkxC-3oyzA:
undetectable		 4nkxC-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
 1.15A 4nkxC-3qivA:
undetectable		 4nkxC-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
 1.07A 4nkxC-3qufA:
undetectable		 4nkxC-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
 1.10A 4nkxC-3riqA:
undetectable		 4nkxC-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
 1.02A 4nkxC-3sfzA:
undetectable		 4nkxC-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.
3snh DYNAMIN-1

(Homo sapiens) 		PF00169
(PH)
PF00350
(Dynamin_N)
PF01031
(Dynamin_M)
PF02212
(GED) 		4 ILE A 412
ASP A 380
GLU A 387
VAL A 659
 None
 1.16A 4nkxC-3snhA:
2.9		 4nkxC-3snhA:
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.
3up4 OTEMO

(Pseudomonas
putida) 		PF00743
(FMO-like) 		4 ILE A 327
ASP A 357
GLU A 324
VAL A 317
 None
 1.19A 4nkxC-3up4A:
undetectable		 4nkxC-3up4A:
20.95
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.
4cek REGULATOR OF
NONSENSE TRANSCRIPTS
2

(Homo sapiens) 		PF02854
(MIF4G) 		4 ILE A 660
ASP A 694
GLU A 701
VAL A 667
 None
 1.11A 4nkxC-4cekA:
undetectable		 4nkxC-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
 1.04A 4nkxC-4cgyA:
undetectable		 4nkxC-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.
4cr4 26S PROTEASE
REGULATORY SUBUNIT
6B HOMOLOG
26S PROTEASE
REGULATORY SUBUNIT 8
HOMOLOG

(Saccharomyces
cerevisiae) 		PF00004
(AAA) 		4 ARG K 333
ASP K 204
GLU J 364
VAL J 377
 None
 1.19A 4nkxC-4cr4K:
undetectable		 4nkxC-4cr4K:
24.03
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.
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 4nkxC-4da9A:
undetectable		 4nkxC-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
 1.23A 4nkxC-4ffuA:
undetectable		 4nkxC-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
 1.14A 4nkxC-4k3cA:
undetectable		 4nkxC-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
 1.24A 4nkxC-4l1fA:
undetectable		 4nkxC-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.
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
 1.17A 4nkxC-4lzaA:
undetectable		 4nkxC-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
 1.24A 4nkxC-4mtkA:
undetectable		 4nkxC-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)
 0.31A 4nkxC-4nkyA:
60.7		 4nkxC-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
 1.22A 4nkxC-4nspA:
undetectable		 4nkxC-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
 1.11A 4nkxC-4nv1C:
undetectable		 4nkxC-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
 1.19A 4nkxC-4ohtA:
undetectable		 4nkxC-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)
 0.87A 4nkxC-4r1zA:
51.2		 4nkxC-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.
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
 1.24A 4nkxC-4rcnA:
undetectable		 4nkxC-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.
4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		4 ILE A 117
ASP A  91
GLU A  87
VAL A 202
 EDO  A 504 (-3.6A)
None
EDO  A 504 (-4.5A)
None
 1.25A 4nkxC-4u3wA:
undetectable		 4nkxC-4u3wA:
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.
5b83 TETRA UBIQUITIN

(Homo sapiens) 		PF00240
(ubiquitin) 		4 ILE A 106
ARG A 148
ASP A 128
VAL A  93
 None
 1.25A 4nkxC-5b83A:
undetectable		 4nkxC-5b83A:
24.65
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.
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
 0.91A 4nkxC-5ej1A:
undetectable		 4nkxC-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.
5esy SAL1 PHOSPHATASE

(Arabidopsis
thaliana) 		PF00459
(Inositol_P) 		4 ILE A 325
ASP A 320
GLU A 284
VAL A 290
 None
 1.18A 4nkxC-5esyA:
undetectable		 4nkxC-5esyA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.13A 4nkxC-5favA:
undetectable		 4nkxC-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.
5h8k N-CARBAMOYLPUTRESCIN
E AMIDOHYDROLASE

(Medicago
truncatula) 		PF00795
(CN_hydrolase) 		4 ILE A 118
ASP A  72
GLU A  96
VAL A  92
 None
 1.21A 4nkxC-5h8kA:
undetectable		 4nkxC-5h8kA:
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.
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 4nkxC-5irpA:
undetectable		 4nkxC-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.
5jyu TWO-COMPONENT SENSOR
HISTIDINE KINASE

(Thermosynechococcus
elongatus) 		no annotation 4 ILE A 690
ASP A 669
GLU A 663
VAL A 619
 None
 1.22A 4nkxC-5jyuA:
undetectable		 4nkxC-5jyuA:
11.73
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.
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
 1.22A 4nkxC-5lxvA:
undetectable		 4nkxC-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
 0.83A 4nkxC-5m6gA:
undetectable		 4nkxC-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
 1.16A 4nkxC-5nmiA:
undetectable		 4nkxC-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
 1.16A 4nkxC-5nnoA:
undetectable		 4nkxC-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 4nkxC-5oa30:
undetectable		 4nkxC-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
 1.19A 4nkxC-5olcA:
undetectable		 4nkxC-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.
5tu0 LMO2125 PROTEIN

(Listeria
monocytogenes) 		PF13416
(SBP_bac_8) 		4 ILE A 141
ASP A 335
GLU A 339
VAL A 361
 None
 1.21A 4nkxC-5tu0A:
undetectable		 4nkxC-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
 1.24A 4nkxC-5vjwA:
undetectable		 4nkxC-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.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 ARG A 196
ASP A  17
GLU A  68
VAL A  57
 3PG  A 603 (-3.2A)
MN  A 602 ( 2.2A)
None
None
 1.23A 4nkxC-5vpuA:
undetectable		 4nkxC-5vpuA:
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.
5yll BETA-1,4-MANNANASE

(Amphibacillus
xylanus) 		no annotation 4 ILE B 120
ASP B 152
GLU B 160
VAL B 140
 None
 1.20A 4nkxC-5yllB:
undetectable		 4nkxC-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.
5zqj BETA-XYLOSIDASE

(Bacillus
pumilus) 		no annotation 4 ILE A 232
ARG A 216
ASP A 298
VAL A 304
 None
 1.24A 4nkxC-5zqjA:
undetectable		 4nkxC-5zqjA:
11.90
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.
6d0g PIRIN FAMILY PROTEIN

(Acinetobacter
baumannii) 		no annotation 4 ILE A 193
ASP A 163
GLU A 166
VAL A 190
 None
 1.24A 4nkxC-6d0gA:
undetectable		 4nkxC-6d0gA:
10.32
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.
6dft

() 		no annotation 4 ILE A 329
ARG B 270
GLU A 166
VAL A 227
 None
 1.00A 4nkxC-6dftA:
undetectable		 4nkxC-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
 1.24A 4nkxC-6eyyA:
undetectable		 4nkxC-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
 1.19A 4nkxC-6ft5A:
undetectable		 4nkxC-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
 1.04A 4nkxC-6g72e:
undetectable		 4nkxC-6g72e:
9.87