SIMILAR PATTERNS OF AMINO ACIDS FOR 3SPK_B_TPVB100

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.
1cj0 PROTEIN (SERINE
HYDROXYMETHYLTRANSFE
RASE)

(Oryctolagus
cuniculus) 		PF00464
(SHMT) 		5 ARG A 363
LEU A 318
ASN A 316
VAL A 291
GLY A 206
 None
 1.16A 3spkA-1cj0A:
undetectable		 3spkA-1cj0A:
11.91
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.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

(Hepacivirus C) 		PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD) 		5 ARG A 464
LEU A 365
VAL A 389
GLY A 404
ILE A 403
 None
 1.22A 3spkA-1cu1A:
undetectable		 3spkA-1cu1A:
9.95
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.
1dbt OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Bacillus
subtilis) 		PF00215
(OMPdecase) 		5 LEU A 122
ALA A  89
VAL A 144
GLY A 158
ILE A 117
 U5P  A 250 (-4.2A)
None
None
None
None
 1.21A 3spkA-1dbtA:
undetectable		 3spkA-1dbtA:
18.34
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.
1ekq HYDROXYETHYLTHIAZOLE
KINASE

(Bacillus
subtilis) 		PF02110
(HK) 		5 LEU A 215
ALA A 119
VAL A 204
GLY A 122
ILE A 167
 None
 1.11A 3spkA-1ekqA:
undetectable		 3spkA-1ekqA:
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.
1g3r CELL DIVISION
INHIBITOR

(Pyrococcus
furiosus) 		PF13614
(AAA_31) 		5 ALA A 130
VAL A   8
GLY A 134
ILE A   4
THR A  20
 None
 1.15A 3spkA-1g3rA:
undetectable		 3spkA-1g3rA:
19.13
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.
1g60 ADENINE-SPECIFIC
METHYLTRANSFERASE
MBOIIA

(Moraxella bovis) 		PF01555
(N6_N4_Mtase) 		5 LEU A 215
ALA A 230
VAL A  28
GLY A 224
ILE A   7
 None
 1.33A 3spkA-1g60A:
undetectable		 3spkA-1g60A:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h81 POLYAMINE OXIDASE

(Zea mays) 		PF01593
(Amino_oxidase) 		5 ALA A 451
VAL A   7
GLY A  16
ILE A  17
THR A  29
 None
 1.35A 3spkA-1h81A:
undetectable		 3spkA-1h81A:
11.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ALA A  28
VAL A  32
GLY A  49
ILE A  50
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 0.74A 3spkA-1hvcA:
13.2		 3spkA-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ALA A  28
VAL A  32
GLY A  49
ILE A  50
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
 0.74A 3spkA-1hvcA:
13.2		 3spkA-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ALA A  28
VAL A  32
GLY A  49
PRO A  81
 A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
 0.71A 3spkA-1hvcA:
13.2		 3spkA-1hvcA:
42.86
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.
1ion PROBABLE CELL
DIVISION INHIBITOR
MIND

(Pyrococcus
horikoshii) 		PF13614
(AAA_31) 		5 ALA A 130
VAL A   8
GLY A 134
ILE A   4
THR A  20
 None
 1.19A 3spkA-1ionA:
undetectable		 3spkA-1ionA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jya YOPE REGULATOR

(Yersinia
pseudotuberculosis) 		PF05932
(CesT) 		5 LEU A  74
ASN A  91
VAL A 111
ILE A  38
THR A 105
 None
 1.19A 3spkA-1jyaA:
undetectable		 3spkA-1jyaA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o5w AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Rattus
norvegicus) 		PF01593
(Amino_oxidase) 		5 LEU A 233
ALA A  29
VAL A 238
GLY A  22
ILE A  23
 None
None
None
FAD  A 652 (-3.4A)
FAD  A 652 (-4.8A)
 0.83A 3spkA-1o5wA:
undetectable		 3spkA-1o5wA:
12.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ALA A  28
GLY A  49
ILE A  50
 None
 0.73A 3spkA-1sivA:
18.8		 3spkA-1sivA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ALA A  28
GLY A  49
PRO A  81
 None
 0.96A 3spkA-1sivA:
18.8		 3spkA-1sivA:
47.47
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.
1sxj ACTIVATOR 1 37 KDA
SUBUNIT
ACTIVATOR 1 95 KDA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF08519
(RFC1)
PF08542
(Rep_fac_C) 		5 ARG B 285
LEU B 286
ALA A 653
GLY A 561
ILE A 563
 None
 1.32A 3spkA-1sxjB:
undetectable		 3spkA-1sxjB:
16.82
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.
1to3 PUTATIVE ALDOLASE
YIHT

(Salmonella
enterica) 		PF01791
(DeoC) 		5 ALA A 189
VAL A 142
GLY A 185
ILE A 218
PRO A 160
 None
 0.91A 3spkA-1to3A:
undetectable		 3spkA-1to3A:
13.31
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.
1ufo HYPOTHETICAL PROTEIN
TT1662

(Thermus
thermophilus) 		no annotation 5 ARG A  18
LEU A  41
ALA A 110
GLY A 227
PRO A  45
 None
 1.15A 3spkA-1ufoA:
undetectable		 3spkA-1ufoA:
18.64
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.
1v87 DELTEX PROTEIN 2

(Mus musculus) 		PF00097
(zf-C3HC4) 		5 LEU A  70
VAL A  12
GLY A  93
ILE A  91
THR A  17
 None
 1.25A 3spkA-1v87A:
undetectable		 3spkA-1v87A:
18.35
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.
1y9u PUTATIVE IRON
BINDING PROTEIN

(Bordetella
pertussis) 		PF13343
(SBP_bac_6) 		5 ARG A 121
GLY A 194
ILE A 193
PRO A 225
THR A 226
 None
 1.34A 3spkA-1y9uA:
undetectable		 3spkA-1y9uA:
15.03
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.
1yxo 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE 1

(Pseudomonas
aeruginosa) 		PF04166
(PdxA) 		5 VAL A1096
GLY A1014
ILE A1015
PRO A1009
THR A1008
 None
 1.27A 3spkA-1yxoA:
undetectable		 3spkA-1yxoA:
16.11
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.
2dkj SERINE
HYDROXYMETHYLTRANSFE
RASE

(Thermus
thermophilus) 		PF00464
(SHMT) 		5 ARG A 358
LEU A 313
ASN A 311
VAL A 286
GLY A 203
 SO4  A2520 (-2.9A)
None
None
None
None
 1.24A 3spkA-2dkjA:
undetectable		 3spkA-2dkjA:
12.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ALA A  28
VAL A  32
GLY A  55
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.4A)
 0.64A 3spkA-2fmbA:
15.0		 3spkA-2fmbA:
31.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 LEU A  23
ALA A  28
VAL A  32
GLY A  55
PRO A  86
 None
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
 0.70A 3spkA-2fmbA:
15.0		 3spkA-2fmbA:
31.43
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.
2gh9 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN

(Thermus
thermophilus) 		PF13416
(SBP_bac_8) 		5 ARG A 305
ASN A 300
VAL A 313
GLY A 324
ILE A 249
 MLR  A2913 (-3.0A)
None
None
None
None
 1.30A 3spkA-2gh9A:
undetectable		 3spkA-2gh9A:
15.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h92 CYTIDYLATE KINASE

(Staphylococcus
aureus) 		PF02224
(Cytidylate_kin) 		5 LEU A   8
ALA A  24
VAL A  32
GLY A 120
ILE A   4
 None
 1.21A 3spkA-2h92A:
undetectable		 3spkA-2h92A:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iai PUTATIVE
TRANSCRIPTIONAL
REGULATOR SCO3833

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 ARG A  59
LEU A  15
VAL A  21
GLY A  40
ILE A  41
 None
 1.35A 3spkA-2iaiA:
undetectable		 3spkA-2iaiA:
13.92
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.
2nzj GTP-BINDING PROTEIN
REM 1

(Homo sapiens) 		PF00071
(Ras) 		5 LEU A 228
VAL A 232
GLY A 194
ILE A 163
THR A 227
 None
None
None
None
GDP  A1001 (-3.3A)
 1.31A 3spkA-2nzjA:
undetectable		 3spkA-2nzjA:
23.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ALA A  28
GLY A  49
ILE A  50
PRO A  81
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-3.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
 0.82A 3spkA-2rkfA:
20.6		 3spkA-2rkfA:
80.81
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.
2vmx SERINE
HYDROXYMETHYLTRANSFE
RASE

(Geobacillus
stearothermophilus) 		PF00464
(SHMT) 		5 ARG A 357
LEU A 312
ASN A 310
VAL A 285
GLY A 203
 ALO  A 502 (-3.0A)
None
None
None
None
 1.23A 3spkA-2vmxA:
undetectable		 3spkA-2vmxA:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w3c GENERAL VESICULAR
TRANSPORT FACTOR
P115

(Homo sapiens) 		PF04869
(Uso1_p115_head) 		5 LEU A 386
ALA A 440
VAL A 373
GLY A 422
ILE A 403
 None
 1.22A 3spkA-2w3cA:
undetectable		 3spkA-2w3cA:
10.49
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.
2x98 ALKALINE PHOSPHATASE

(Halobacterium
salinarum) 		PF00245
(Alk_phosphatase) 		5 ALA A  52
GLY A 161
ILE A 163
PRO A 173
THR A 172
 None
None
None
None
MG  A1477 (-3.1A)
 1.21A 3spkA-2x98A:
undetectable		 3spkA-2x98A:
12.24
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.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 LEU A 233
ALA A  29
VAL A 238
GLY A  22
ILE A  23
 None
None
None
FAD  A 600 (-3.2A)
FAD  A 600 (-4.9A)
 0.77A 3spkA-2z5xA:
undetectable		 3spkA-2z5xA:
12.87
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.
3aj6 MAIN HEMAGGLUTININ
COMPONENT

(Clostridium
botulinum) 		no annotation 5 LEU A 158
ASN A 278
VAL A 268
ILE A 244
THR A 156
 None
 1.26A 3spkA-3aj6A:
undetectable		 3spkA-3aj6A:
14.74
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.
3ayr ENDOGLUCANASE

(Piromyces
rhizinflatus) 		PF00150
(Cellulase) 		5 LEU A 107
GLY A 277
ILE A 309
PRO A  68
THR A  69
 None
 1.26A 3spkA-3ayrA:
undetectable		 3spkA-3ayrA:
13.03
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.
3b7f GLYCOSYL HYDROLASE,
BNR REPEAT

(Cupriavidus
pinatubonensis) 		no annotation 5 ARG A  84
ALA A  73
VAL A 116
GLY A  79
PRO A  98
 None
 1.34A 3spkA-3b7fA:
undetectable		 3spkA-3b7fA:
15.12
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.
3edy TRIPEPTIDYL-PEPTIDAS
E 1

(Homo sapiens) 		PF09286
(Pro-kuma_activ) 		5 ARG A 208
VAL A 388
GLY A 483
PRO A 551
THR A 550
 NAG  A 564 (-3.8A)
None
None
None
None
 1.22A 3spkA-3edyA:
undetectable		 3spkA-3edyA:
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.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		5 ALA A 108
VAL A  80
GLY A   8
ILE A 134
THR A 113
 None
 1.34A 3spkA-3ewmA:
undetectable		 3spkA-3ewmA:
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.
3fbq CONSERVED DOMAIN
PROTEIN

(Bacillus
anthracis) 		PF13786
(DUF4179) 		5 LEU A  31
ASN A  32
GLY A   7
ILE A   9
THR A  29
 None
 1.23A 3spkA-3fbqA:
undetectable		 3spkA-3fbqA:
14.88
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.
3gjb CYTC3

(Streptomyces
sp.) 		PF05721
(PhyH) 		5 LEU A 283
ALA A 288
ILE A 132
PRO A 269
THR A 271
 None
 1.19A 3spkA-3gjbA:
undetectable		 3spkA-3gjbA:
15.71
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.
3gq2 GENERAL VESICULAR
TRANSPORT FACTOR
P115

(Bos taurus) 		PF04869
(Uso1_p115_head) 		5 LEU A 386
ALA A 440
VAL A 373
GLY A 422
ILE A 403
 None
 1.19A 3spkA-3gq2A:
undetectable		 3spkA-3gq2A:
10.93
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.
3jb4 VP0
VP1
VP3

(Parechovirus B) 		PF00073
(Rhv)
no annotation 		5 ASN B 183
ALA B 185
GLY C 173
ILE C 172
THR A  49
 None
 1.21A 3spkA-3jb4B:
undetectable		 3spkA-3jb4B:
14.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k9d ALDEHYDE
DEHYDROGENASE

(Listeria
monocytogenes) 		PF00171
(Aldedh) 		5 LEU A 414
ASN A 433
ALA A 417
ILE A 250
THR A 412
 None
 1.13A 3spkA-3k9dA:
undetectable		 3spkA-3k9dA:
12.27
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.
3lme POSSIBLE TRANSLATION
INITIATION INHIBITOR

(Rhodopseudomonas
palustris) 		PF01042
(Ribonuc_L-PSP) 		5 ALA A  91
GLY A  48
ILE A  31
PRO A  41
THR A  40
 None
 0.91A 3spkA-3lmeA:
undetectable		 3spkA-3lmeA:
20.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ALA A  28
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 None
 0.78A 3spkA-3mwsA:
19.7		 3spkA-3mwsA:
71.72
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.
3n0l SERINE
HYDROXYMETHYLTRANSFE
RASE

(Campylobacter
jejuni) 		PF00464
(SHMT) 		5 ARG A 356
LEU A 311
ASN A 309
VAL A 284
GLY A 201
 SO4  A 417 (-2.7A)
None
None
None
None
 1.20A 3spkA-3n0lA:
undetectable		 3spkA-3n0lA:
13.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Mycobacterium
avium) 		PF02668
(TauD) 		5 LEU A  40
ALA A 111
GLY A 273
PRO A 192
THR A 194
 None
EDO  A 298 ( 3.9A)
None
None
None
 1.30A 3spkA-3r1jA:
undetectable		 3spkA-3r1jA:
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.
3sf6 GLUTARYL-COA
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ARG A  34
LEU A  92
ALA A 314
GLY A 308
ILE A  20
 EDO  A 413 (-4.0A)
EDO  A 413 ( 4.6A)
None
None
None
 1.34A 3spkA-3sf6A:
undetectable		 3spkA-3sf6A:
14.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
GLY A  49
ILE A  50
PRO A  81
 SO4  A 101 (-3.8A)
SO4  A 101 (-4.2A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.80A 3spkA-3t3cA:
18.9		 3spkA-3t3cA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ALA A  28
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.38A 3spkA-3t3cA:
18.9		 3spkA-3t3cA:
74.75
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.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		5 LEU A 302
ALA A 327
VAL A 118
ILE A 257
THR A 288
 None
 1.11A 3spkA-3t8lA:
undetectable		 3spkA-3t8lA:
9.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ALA A  28
GLY A  49
ILE A  50
PRO A  81
 017  A 201 ( 4.8A)
None
017  A 201 (-3.4A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
 0.66A 3spkA-3ttpA:
20.0		 3spkA-3ttpA:
76.77
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.
3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE

(Pyrococcus
horikoshii) 		no annotation 5 ALA A  41
VAL A 301
ILE A  35
PRO A 143
THR A 142
 None
None
None
SO4  A 336 (-4.4A)
None
 0.93A 3spkA-3u4gA:
undetectable		 3spkA-3u4gA:
19.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ALA A  28
GLY A  49
ILE A  50
PRO A  81
 None
None
017  A 201 (-3.4A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.56A 3spkA-3u7sA:
19.9		 3spkA-3u7sA:
80.81
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.
3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B

(Sinorhizobium
meliloti) 		PF00248
(Aldo_ket_red) 		5 LEU A  94
ALA A  56
GLY A  61
ILE A  62
THR A  96
 None
 1.32A 3spkA-3up8A:
undetectable		 3spkA-3up8A:
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.
3wrc GALLATE DIOXYGENASE

(Sphingomonas
paucimobilis) 		PF02900
(LigB)
PF07746
(LigA) 		5 ARG A 143
ALA A 185
GLY A   6
ILE A   4
PRO A  49
 None
 1.32A 3spkA-3wrcA:
undetectable		 3spkA-3wrcA:
13.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wy2 ALPHA-GLUCOSIDASE

(Halomonas sp.
H11) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 ARG A 456
LEU A 453
ASN A  46
VAL A  42
GLY A  94
 None
 1.34A 3spkA-3wy2A:
undetectable		 3spkA-3wy2A:
10.86
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.
3x29 CLAUDIN-19

(Mus musculus) 		PF00822
(PMP22_Claudin) 		5 LEU A  50
ALA A 164
VAL A 137
GLY A  20
ILE A  22
 None
 1.22A 3spkA-3x29A:
undetectable		 3spkA-3x29A:
18.78
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.
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 LEU A 224
ALA A  20
VAL A 229
GLY A  13
ILE A  14
 None
None
None
FAD  A 600 (-3.4A)
FAD  A 600 (-4.8A)
 0.80A 3spkA-3zyxA:
undetectable		 3spkA-3zyxA:
11.81
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.
4awd BETA-PORPHYRANASE

(Bacteroides
plebeius) 		no annotation 5 LEU A 116
ASN A  97
GLY A 181
ILE A 182
THR A 285
 None
 1.33A 3spkA-4awdA:
undetectable		 3spkA-4awdA:
19.53
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.
4c1l 2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE

(Pyrococcus
furiosus) 		PF00793
(DAHP_synth_1) 		5 ARG A 206
LEU A 243
ALA A  28
VAL A  42
GLY A  56
 None
 1.33A 3spkA-4c1lA:
undetectable		 3spkA-4c1lA:
15.92
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.
4cvy DIOXYGENASE
RV3406/MT3514

(Mycobacterium
tuberculosis) 		PF02668
(TauD) 		5 LEU A  39
ALA A 109
GLY A 271
PRO A 190
THR A 192
 None
 1.26A 3spkA-4cvyA:
undetectable		 3spkA-4cvyA:
16.72
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.
4gp1 POLYPRENYL
SYNTHETASE

(Pyrobaculum
calidifontis) 		PF00348
(polyprenyl_synt) 		5 ARG A  47
LEU A  21
ALA A 119
GLY A 113
ILE A  83
 None
 1.34A 3spkA-4gp1A:
undetectable		 3spkA-4gp1A:
16.04
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.
4hnn DIHYDRODIPICOLINATE
SYNTHASE

(Vitis vinifera) 		PF00701
(DHDPS) 		5 LEU A 266
ASN A 262
VAL A 254
GLY A 205
ILE A 223
 None
None
None
KPI  A 184 ( 4.3A)
KPI  A 184 ( 3.5A)
 1.23A 3spkA-4hnnA:
undetectable		 3spkA-4hnnA:
17.76
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.
4idm DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		5 ALA A  84
VAL A 248
ILE A 238
PRO A 213
THR A 242
 None
 1.11A 3spkA-4idmA:
undetectable		 3spkA-4idmA:
11.80
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.
4ivn TRANSCRIPTIONAL
REGULATOR

(Vibrio
vulnificus) 		PF01380
(SIS)
PF01418
(HTH_6) 		5 ALA A 180
GLY A 131
ILE A 130
PRO A 203
THR A 220
 None
 1.29A 3spkA-4ivnA:
undetectable		 3spkA-4ivnA:
16.00
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.
4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Mycolicibacterium
smegmatis) 		PF02668
(TauD) 		5 LEU A  39
ALA A 107
GLY A 268
PRO A 187
THR A 189
 None
 1.31A 3spkA-4j5iA:
undetectable		 3spkA-4j5iA:
16.50
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.
4jq0 FIBROBLAST GROWTH
FACTOR 12
SODIUM CHANNEL
PROTEIN TYPE 5
SUBUNIT ALPHA

(Homo sapiens) 		PF00167
(FGF)
PF16905
(GPHH) 		5 LEU A  51
VAL A 148
GLY D1845
PRO A 145
THR A  18
 None
 1.13A 3spkA-4jq0A:
undetectable		 3spkA-4jq0A:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ko2 PERIPLASMIC [NIFESE]
HYDROGENASE SMALL
SUBUNIT

(Desulfomicrobium
baculatum) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 LEU S 175
ALA S 119
VAL S 182
GLY S  70
PRO S   9
 None
 1.29A 3spkA-4ko2S:
undetectable		 3spkA-4ko2S:
18.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ALA A  28
VAL A  32
GLY A  49
ILE A  50
THR A  82
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
 0.79A 3spkA-4njvA:
20.0		 3spkA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ALA A  28
VAL A  32
GLY A  49
PRO A  81
THR A  82
 None
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.92A 3spkA-4njvA:
20.0		 3spkA-4njvA:
87.88
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.
4ofs PROBABLE LIPOAMIDE
ACYLTRANSFERASE

(Thermoplasma
acidophilum) 		PF00198
(2-oxoacid_dh) 		5 ALA A 114
VAL A  67
GLY A  61
ILE A 126
THR A 149
 None
 0.99A 3spkA-4ofsA:
undetectable		 3spkA-4ofsA:
17.81
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.
4q5t LIPOPROTEIN

(Streptococcus
mutans) 		PF03180
(Lipoprotein_9) 		5 LEU A 197
ALA A 140
GLY A 137
ILE A 133
THR A 120
 None
 1.22A 3spkA-4q5tA:
undetectable		 3spkA-4q5tA:
15.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y2w ALANINE RACEMASE 1

(Caldanaerobacter
subterraneus) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ARG A  23
ALA A  37
VAL A  51
ILE A 228
THR A  19
 None
 1.29A 3spkA-4y2wA:
undetectable		 3spkA-4y2wA:
14.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		5 ARG A  10
LEU A  30
ALA A  35
VAL A  39
GLY A  58
 None
None
4B1  A 201 (-3.6A)
None
4B1  A 201 (-3.4A)
 0.80A 3spkA-4ydfA:
12.4		 3spkA-4ydfA:
31.03
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.
4z5p CYTOCHROME P450
HYDROXYLASE

(Streptomyces
atroolivaceus) 		PF00067
(p450) 		5 ARG A 263
LEU A 259
ALA A 251
GLY A 246
ILE A 136
 None
 1.18A 3spkA-4z5pA:
undetectable		 3spkA-4z5pA:
12.05
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.
5a3f DYNAMIN 3

(Homo sapiens) 		PF00169
(PH)
PF00350
(Dynamin_N)
PF01031
(Dynamin_M)
PF02212
(GED) 		5 VAL A 124
GLY A  53
ILE A 248
PRO A 127
THR A  75
 None
 1.35A 3spkA-5a3fA:
undetectable		 3spkA-5a3fA:
9.24
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.
5bwi GLYCOSIDE HYDROLASE
FAMILY 79

(Burkholderia
pseudomallei) 		PF12891
(Glyco_hydro_44) 		5 ARG A  95
ALA A 128
GLY A 110
ILE A  66
THR A  89
 None
 1.34A 3spkA-5bwiA:
undetectable		 3spkA-5bwiA:
13.26
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.
5cmc ML032222A IGLUR

(Mnemiopsis
leidyi) 		PF10613
(Lig_chan-Glu_bd) 		5 ASN A  31
VAL A  42
GLY A  13
ILE A  56
THR A  52
 None
 1.16A 3spkA-5cmcA:
undetectable		 3spkA-5cmcA:
14.62
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.
5evy SALICYLATE
HYDROXYLASE

(Pseudomonas
putida) 		PF01494
(FAD_binding_3) 		5 LEU X 212
VAL X 230
GLY X 191
ILE X 285
THR X 195
 None
 1.14A 3spkA-5evyX:
undetectable		 3spkA-5evyX:
16.31
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.
5gjj HEAT SHOCK 70 KDA
PROTEIN 1A

(Homo sapiens) 		PF00012
(HSP70) 		5 LEU A  19
ALA A 106
VAL A  54
ILE A  43
THR A  21
 None
 1.13A 3spkA-5gjjA:
undetectable		 3spkA-5gjjA:
14.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ho9 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 LEU A 208
ASN A 204
GLY A 162
ILE A 161
PRO A 272
 None
 1.15A 3spkA-5ho9A:
undetectable		 3spkA-5ho9A:
10.77
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.
5hp6 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF13385
(Laminin_G_3)
PF16369
(GH43_C) 		5 LEU A 208
ASN A 204
GLY A 162
ILE A 161
PRO A 272
 None
 1.10A 3spkA-5hp6A:
undetectable		 3spkA-5hp6A:
9.15
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.
5i01 PHOSPHOHEPTOSE
ISOMERASE

(Neisseria
gonorrhoeae) 		PF13580
(SIS_2) 		5 LEU A  26
VAL A 162
GLY A 118
ILE A 119
THR A  30
 None
 1.19A 3spkA-5i01A:
undetectable		 3spkA-5i01A:
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.
5kyv LUCIFERIN
4-MONOOXYGENASE

(Photinus
pyralis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ALA A 296
GLY A 324
ILE A 336
PRO A 289
THR A 290
 None
 1.22A 3spkA-5kyvA:
undetectable		 3spkA-5kyvA:
11.15
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.
5nv3 RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Rhodobacter
sphaeroides) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ARG A 163
VAL A 375
ILE A 281
PRO A 154
THR A 155
 None
 1.07A 3spkA-5nv3A:
undetectable		 3spkA-5nv3A:
12.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ALA A  28
VAL A  32
GLY A  49
ILE A  50
 None
 0.58A 3spkA-5t2zA:
21.3		 3spkA-5t2zA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ALA A  28
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 None
 0.64A 3spkA-5t2zA:
21.3		 3spkA-5t2zA:
84.85
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.
5uhu MYCINAMICIN IV
HYDROXYLASE/EPOXIDAS
E

(Micromonospora
griseorubida) 		PF00067
(p450) 		5 LEU A  45
ALA A 285
VAL A  52
GLY A 338
THR A  47
 None
HEM  A 401 (-3.6A)
None
None
None
 1.16A 3spkA-5uhuA:
undetectable		 3spkA-5uhuA:
12.76
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.
5uoh CARBOXYLESTERASE A

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		5 LEU A 225
ALA A 247
VAL A 456
GLY A 510
ILE A 509
 None
 1.27A 3spkA-5uohA:
undetectable		 3spkA-5uohA:
12.06
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.
5v7i SERINE
HYDROXYMETHYLTRANSFE
RASE, MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 ARG A 425
LEU A 381
ASN A 379
VAL A 354
GLY A 257
 8Z1  A 601 ( 3.8A)
None
None
None
None
 1.14A 3spkA-5v7iA:
undetectable		 3spkA-5v7iA:
12.05
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.
5w0s 60 KDA CHAPERONIN

(Escherichia
coli) 		PF00118
(Cpn60_TCP1) 		5 ALA A 143
VAL A 407
GLY A 148
ILE A 150
PRO A 496
 None
 1.14A 3spkA-5w0sA:
undetectable		 3spkA-5w0sA:
12.27
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.
5x6o SERINE/THREONINE-PRO
TEIN KINASE MEC1

(Saccharomyces
cerevisiae) 		no annotation 5 LEU C2112
ALA C2211
VAL C2239
GLY C2217
ILE C2219
 None
 1.14A 3spkA-5x6oC:
undetectable		 3spkA-5x6oC:
19.05
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.
5xvi GLUTAMATE
DEHYDROGENASE

(Aspergillus
niger) 		no annotation 5 ARG A  34
ALA A 450
VAL A  40
GLY A 445
ILE A 443
 None
 1.22A 3spkA-5xviA:
undetectable		 3spkA-5xviA:
21.05
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.
6bvg PROTEIN-N(PI)-PHOSPH
OHISTIDINE-SUGAR
PHOSPHOTRANSFERASE
(ENZYME II OF THE
PHOSPHOTRANSFERASE
SYSTEM) (PTS SYSTEM
GLUCOSE-SPECIFIC
IIBC COMPONENT)

(Bacillus cereus) 		no annotation 5 LEU A 156
ALA A  90
GLY A 146
ILE A 148
THR A 155
 None
 1.30A 3spkA-6bvgA:
undetectable		 3spkA-6bvgA:
26.88
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.
6ccz SERINE
HYDROXYMETHYLTRANSFE
RASE

(Medicago
truncatula) 		no annotation 5 ARG A 454
LEU A 410
ASN A 408
VAL A 383
GLY A 295
 ACT  A 612 (-2.9A)
None
SEY  A 605 (-4.4A)
None
None
 1.14A 3spkA-6cczA:
undetectable		 3spkA-6cczA:
18.18
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.
6ezn DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT WBP1

(Saccharomyces
cerevisiae) 		no annotation 5 VAL G 118
GLY G 233
ILE G 232
PRO G  83
THR G  84
 None
 1.11A 3spkA-6eznG:
undetectable		 3spkA-6eznG:
19.81
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.
6fd2 PUTATIVE APRAMYCIN
BIOSYNTHETIC
OXIDOREDUCTASE 4

(Streptoalloteichus
tenebrarius) 		no annotation 5 LEU B 152
ALA B 108
GLY B 126
PRO B 155
THR B 154
 None
 1.21A 3spkA-6fd2B:
undetectable		 3spkA-6fd2B:
22.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ALA A  28
GLY A  49
ILE A  50
 None
None
NIU  A 100 (-3.6A)
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 0.76A 3spkA-6upjA:
18.3		 3spkA-6upjA:
47.47
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.
7mdh PROTEIN (MALATE
DEHYDROGENASE)

(Sorghum bicolor) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASN A 314
VAL A 309
GLY A 227
ILE A 352
PRO A 327
 None
 1.33A 3spkA-7mdhA:
undetectable		 3spkA-7mdhA:
15.64
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.
1ekq HYDROXYETHYLTHIAZOLE
KINASE

(Bacillus
subtilis) 		PF02110
(HK) 		5 LEU A 215
ALA A 119
VAL A 204
GLY A 122
ILE A 167
 None
 1.00A 3spkB-1ekqA:
undetectable		 3spkB-1ekqA:
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.
1f76 DIHYDROOROTATE
DEHYDROGENASE
(QUINONE)

(Escherichia
coli) 		PF01180
(DHO_dh) 		5 ALA A  61
ILE A 298
GLY A 320
ILE A 322
THR A 247
 FMN  A1337 (-3.4A)
None
None
None
ORO  A1338 ( 2.6A)
 1.01A 3spkB-1f76A:
undetectable		 3spkB-1f76A:
15.60
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.
1g3r CELL DIVISION
INHIBITOR

(Pyrococcus
furiosus) 		PF13614
(AAA_31) 		5 ALA A 130
VAL A   8
GLY A 134
ILE A   4
THR A  20
 None
 1.01A 3spkB-1g3rA:
undetectable		 3spkB-1g3rA:
19.13
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.
1h39 SQUALENE--HOPENE
CYCLASE

(Alicyclobacillus
acidocaldarius) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		6 LEU A 340
ALA A 399
ASP A 398
VAL A 382
GLY A 361
ILE A 345
 None
 1.46A 3spkB-1h39A:
undetectable		 3spkB-1h39A:
11.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 (-3.8A)
 1.34A 3spkB-1hvcA:
13.3		 3spkB-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 0.65A 3spkB-1hvcA:
13.3		 3spkB-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.67A 3spkB-1hvcA:
13.3		 3spkB-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
 0.70A 3spkB-1hvcA:
13.3		 3spkB-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ALA A  28
ASP A  29
VAL A  32
GLY A  48
PRO A  81
 A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.3A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
 1.00A 3spkB-1hvcA:
13.3		 3spkB-1hvcA:
42.86
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.
1ion PROBABLE CELL
DIVISION INHIBITOR
MIND

(Pyrococcus
horikoshii) 		PF13614
(AAA_31) 		5 ALA A 130
VAL A   8
GLY A 134
ILE A   4
THR A  20
 None
 1.06A 3spkB-1ionA:
undetectable		 3spkB-1ionA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lia R-PHYCOERYTHRIN

(Polysiphonia
urceolata) 		PF00502
(Phycobilisome) 		5 LEU B 122
ALA B  83
ILE B  56
GLY B  88
ILE B  90
 CYC  B 175 ( 4.5A)
CYC  B 175 (-3.4A)
None
CYC  B 175 ( 4.9A)
CYC  B 175 (-3.7A)
 1.01A 3spkB-1liaB:
undetectable		 3spkB-1liaB:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o5w AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Rattus
norvegicus) 		PF01593
(Amino_oxidase) 		5 LEU A 233
ALA A  29
VAL A 238
GLY A  22
ILE A  23
 None
None
None
FAD  A 652 (-3.4A)
FAD  A 652 (-4.8A)
 0.91A 3spkB-1o5wA:
undetectable		 3spkB-1o5wA:
12.02
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.
1olt OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF06969
(HemN_C) 		5 ASN A 380
VAL A 425
ILE A 433
GLY A 286
ILE A 285
 None
 1.04A 3spkB-1oltA:
undetectable		 3spkB-1oltA:
12.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
 None
 0.46A 3spkB-1sivA:
19.0		 3spkB-1sivA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
 0.67A 3spkB-1sivA:
19.0		 3spkB-1sivA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ASP A  29
GLY A  49
ILE A  50
 None
 0.91A 3spkB-1sivA:
19.0		 3spkB-1sivA:
47.47
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.
1uaa PROTEIN
(ATP-DEPENDENT DNA
HELICASE REP.)

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 LEU A 630
ALA A 596
ILE A 291
ILE A 283
PRO A 634
 None
 0.91A 3spkB-1uaaA:
undetectable		 3spkB-1uaaA:
9.92
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.
1y8c S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF13649
(Methyltransf_25) 		5 LEU A  56
ASP A  40
ASP A  41
GLY A 137
THR A 107
 None
 1.05A 3spkB-1y8cA:
undetectable		 3spkB-1y8cA:
14.23
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.
2bkw ALANINE-GLYOXYLATE
AMINOTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF00266
(Aminotran_5) 		5 LEU A 297
VAL A 306
ILE A 348
GLY A 343
THR A 319
 None
 0.98A 3spkB-2bkwA:
undetectable		 3spkB-2bkwA:
12.94
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.
2bvm TOXIN B

(Clostridioides
difficile) 		PF12918
(TcdB_N)
PF12919
(TcdA_TcdB) 		5 ASN A 264
ALA A 267
ILE A 403
GLY A 470
ILE A 466
 None
None
None
GLC  A1544 (-3.2A)
None
 0.95A 3spkB-2bvmA:
undetectable		 3spkB-2bvmA:
11.18
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.
2e7z ACETYLENE HYDRATASE
AHY

(Pelobacter
acetylenicus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 ASP A 699
VAL A 702
ILE A 674
ILE A 600
THR A 653
 MGD  A 801 (-3.0A)
None
None
None
None
 0.85A 3spkB-2e7zA:
undetectable		 3spkB-2e7zA:
8.83
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.
2eb0 MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Methanocaldococcus
jannaschii) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 VAL A 149
ILE A 256
GLY A 260
PRO A 154
THR A 155
 None
 1.02A 3spkB-2eb0A:
undetectable		 3spkB-2eb0A:
16.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ALA A  28
ASP A  29
VAL A  32
ILE A  53
GLY A  55
PRO A  86
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
 0.62A 3spkB-2fmbA:
15.0		 3spkB-2fmbA:
31.43
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.
2n5z RESUSCITATION-PROMOT
ING FACTOR RPFC

(Mycobacterium
tuberculosis) 		PF06737
(Transglycosylas) 		6 LEU A  82
ALA A  11
ASP A  10
GLY A  18
PRO A  74
THR A  75
 None
 1.45A 3spkB-2n5zA:
undetectable		 3spkB-2n5zA:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rgj FLAVIN-CONTAINING
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		5 LEU A 175
ALA A 311
ASP A 310
GLY A  11
ILE A   9
 None
None
FAD  A 403 (-2.7A)
FAD  A 403 (-3.2A)
None
 0.96A 3spkB-2rgjA:
undetectable		 3spkB-2rgjA:
13.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
 0.50A 3spkB-2rkfA:
20.7		 3spkB-2rkfA:
80.81
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.
2vre DELTA(3,5)-DELTA(2,4
)-DIENOYL-COA
ISOMERASE

(Homo sapiens) 		PF00378
(ECH_1) 		5 LEU A 186
ALA A 178
ASP A 179
ILE A 146
THR A 154
 None
 1.06A 3spkB-2vreA:
undetectable		 3spkB-2vreA:
15.20
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.
2yfq NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Peptoniphilus
asaccharolyticus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 LEU A 317
ALA A 213
ASP A 212
GLY A 236
ILE A 231
 None
 1.07A 3spkB-2yfqA:
undetectable		 3spkB-2yfqA:
15.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 LEU A 233
ALA A  29
VAL A 238
GLY A  22
ILE A  23
 None
None
None
FAD  A 600 (-3.2A)
FAD  A 600 (-4.9A)
 0.87A 3spkB-2z5xA:
undetectable		 3spkB-2z5xA:
12.87
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.
3aqc COMPONENT B OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE

(Micrococcus
luteus) 		PF00348
(polyprenyl_synt) 		5 ASP B 211
ASP B 212
ILE B 167
GLY B 204
ILE B 203
 MG  B 328 (-3.1A)
None
None
None
None
 0.82A 3spkB-3aqcB:
undetectable		 3spkB-3aqcB:
16.78
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.
3lme POSSIBLE TRANSLATION
INITIATION INHIBITOR

(Rhodopseudomonas
palustris) 		PF01042
(Ribonuc_L-PSP) 		5 ALA A  91
ILE A  57
ILE A  31
PRO A  41
THR A  40
 None
 0.93A 3spkB-3lmeA:
undetectable		 3spkB-3lmeA:
20.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
PRO A  81
 None
 0.84A 3spkB-3mwsA:
19.8		 3spkB-3mwsA:
71.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
PRO A  81
 None
 0.62A 3spkB-3mwsA:
19.8		 3spkB-3mwsA:
71.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.44A 3spkB-3mwsA:
19.8		 3spkB-3mwsA:
71.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
LEU A  23
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
 0.60A 3spkB-3mwsA:
19.8		 3spkB-3mwsA:
71.72
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.
3n6x PUTATIVE
GLUTATHIONYLSPERMIDI
NE SYNTHASE

(Methylobacillus
flagellatus) 		PF14403
(CP_ATPgrasp_2) 		6 ARG A  76
LEU A  78
ALA A  84
ILE A  91
GLY A  89
PRO A 430
 None
 1.37A 3spkB-3n6xA:
undetectable		 3spkB-3n6xA:
12.03
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.
3orf DIHYDROPTERIDINE
REDUCTASE

(Dictyostelium
discoideum) 		PF00106
(adh_short) 		5 ASN A  37
ALA A  40
ASP A  41
VAL A   7
ILE A   5
 None
 1.06A 3spkB-3orfA:
undetectable		 3spkB-3orfA:
15.94
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.
3ozy PUTATIVE MANDELATE
RACEMASE

(Bordetella
bronchiseptica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 LEU A 117
VAL A  38
ILE A  65
GLY A  70
ILE A  74
THR A  47
 None
 1.46A 3spkB-3ozyA:
undetectable		 3spkB-3ozyA:
14.60
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.
3qfh EPIDERMIN LEADER
PEPTIDE PROCESSING
SERINE PROTEASE EPIP

(Staphylococcus
aureus) 		PF00082
(Peptidase_S8) 		5 ARG A 168
ASP A 140
VAL A 226
ILE A 243
GLY A 246
 None
 1.04A 3spkB-3qfhA:
undetectable		 3spkB-3qfhA:
14.43
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.
3r9u THIOREDOXIN
REDUCTASE

(Campylobacter
jejuni) 		PF07992
(Pyr_redox_2) 		5 LEU A  14
VAL A 290
ILE A  46
GLY A  58
ILE A  59
 None
FAD  A 501 (-4.0A)
FAD  A 501 (-4.3A)
None
None
 0.98A 3spkB-3r9uA:
undetectable		 3spkB-3r9uA:
17.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 SO4  A 101 (-3.8A)
SO4  A 101 (-4.2A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.95A 3spkB-3t3cA:
18.9		 3spkB-3t3cA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.57A 3spkB-3t3cA:
18.9		 3spkB-3t3cA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 017  A 201 ( 4.8A)
None
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
 0.54A 3spkB-3ttpA:
20.1		 3spkB-3ttpA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 017  A 201 ( 4.8A)
None
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
 1.41A 3spkB-3ttpA:
20.1		 3spkB-3ttpA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ALA A  28
ASP A  30
GLY A  49
PRO A  81
 017  A 201 ( 4.8A)
None
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
 1.46A 3spkB-3ttpA:
20.1		 3spkB-3ttpA:
76.77
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.
3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE

(Pyrococcus
horikoshii) 		no annotation 5 ALA A  41
VAL A 301
ILE A  35
PRO A 143
THR A 142
 None
None
None
SO4  A 336 (-4.4A)
None
 0.94A 3spkB-3u4gA:
undetectable		 3spkB-3u4gA:
19.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
None
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.35A 3spkB-3u7sA:
20.0		 3spkB-3u7sA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
None
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 1.46A 3spkB-3u7sA:
20.0		 3spkB-3u7sA:
80.81
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.
3v65 LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 4

(Rattus
norvegicus) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		5 ARG B 694
ILE B 471
GLY B 515
ILE B 559
THR B 647
 None
 1.06A 3spkB-3v65B:
undetectable		 3spkB-3v65B:
15.16
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.
3w2i NADH-CYTOCHROME B5
REDUCTASE 3

(Sus scrofa) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ASP A  72
ASP A  73
GLY A  43
ILE A   5
PRO A  36
 None
 0.91A 3spkB-3w2iA:
undetectable		 3spkB-3w2iA:
17.22
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.
3wq4 BETA-PRIMEVEROSIDASE

(Camellia
sinensis) 		PF00232
(Glyco_hydro_1) 		6 LEU A 120
ALA A 163
ASP A 166
ILE A  67
GLY A 170
ILE A 176
 None
 1.49A 3spkB-3wq4A:
undetectable		 3spkB-3wq4A:
11.98
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.
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 LEU A 224
ALA A  20
VAL A 229
GLY A  13
ILE A  14
 None
None
None
FAD  A 600 (-3.4A)
FAD  A 600 (-4.8A)
 0.90A 3spkB-3zyxA:
undetectable		 3spkB-3zyxA:
11.81
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.
4bkw ZINC FINGER FYVE
DOMAIN-CONTAINING
PROTEIN 9

(Homo sapiens) 		PF11979
(DUF3480) 		5 ASN A1014
VAL A1012
ILE A 978
GLY A1056
ILE A1057
 None
 1.05A 3spkB-4bkwA:
undetectable		 3spkB-4bkwA:
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.
4d1t METALLO-B-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 LEU A  96
ALA A  86
ILE A  56
GLY A  71
ILE A  83
 None
 1.01A 3spkB-4d1tA:
undetectable		 3spkB-4d1tA:
15.61
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.
4emk U6 SNRNA-ASSOCIATED
SM-LIKE PROTEIN LSM5
U6 SNRNA-ASSOCIATED
SM-LIKE PROTEIN LSM7

(Schizosaccharomyces
pombe) 		PF01423
(LSM) 		5 LEU A  10
VAL C  88
ILE C  46
GLY C  48
ILE C  49
 None
 0.96A 3spkB-4emkA:
undetectable		 3spkB-4emkA:
17.48
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.
4jx0 HYPOTHETICAL PROTEIN

(Bacteroides
fragilis) 		PF08522
(DUF1735) 		5 ASN A 201
ASP A 203
VAL A 283
ILE A 309
GLY A 263
 None
 0.95A 3spkB-4jx0A:
undetectable		 3spkB-4jx0A:
15.00
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.
4kkm POLYPRENYL
SYNTHETASE

(Zymomonas
mobilis) 		PF00348
(polyprenyl_synt) 		5 ALA A 224
ASP A 225
ASP A 226
GLY A 218
ILE A 217
 None
 0.95A 3spkB-4kkmA:
undetectable		 3spkB-4kkmA:
15.69
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.
4laf NAD(P)H
DEHYDROGENASE
(QUINONE)

(Pseudomonas sp.
WBC-3) 		PF03358
(FMN_red) 		5 LEU A 186
ALA A 169
ILE A  79
GLY A  81
ILE A  16
 None
None
None
None
FMN  A 400 (-3.8A)
 1.01A 3spkB-4lafA:
undetectable		 3spkB-4lafA:
18.93
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.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 5 ASN A 698
ALA A 684
VAL A 721
ILE A 711
GLY A 708
 None
None
None
GOL  A 822 (-4.5A)
None
 1.03A 3spkB-4lgnA:
undetectable		 3spkB-4lgnA:
7.12
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.
4mae METHANOL
DEHYDROGENASE

(Methylacidiphilum
fumariolicum) 		PF13360
(PQQ_2) 		5 ASN A 109
VAL A  75
ILE A 119
ILE A 128
PRO A  93
 None
 0.98A 3spkB-4maeA:
undetectable		 3spkB-4maeA:
11.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
THR A  82
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.5A)
 0.74A 3spkB-4njvA:
20.1		 3spkB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ARG A   8
LEU A  23
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
THR A  82
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.73A 3spkB-4njvA:
20.1		 3spkB-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ALA A  28
ASP A  29
ASP A  30
VAL A  32
PRO A  81
THR A  82
 None
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.65A 3spkB-4njvA:
20.1		 3spkB-4njvA:
87.88
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.
4nre ARACHIDONATE
15-LIPOXYGENASE B

(Homo sapiens) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 ASP A 428
VAL A 427
ILE A 435
GLY A 437
ILE A 298
 None
C8E  A 702 ( 4.2A)
None
None
None
 1.06A 3spkB-4nreA:
undetectable		 3spkB-4nreA:
9.44
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.
4ofs PROBABLE LIPOAMIDE
ACYLTRANSFERASE

(Thermoplasma
acidophilum) 		PF00198
(2-oxoacid_dh) 		5 ALA A 114
VAL A  67
GLY A  61
ILE A 126
THR A 149
 None
 1.00A 3spkB-4ofsA:
undetectable		 3spkB-4ofsA:
17.81
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.
4pmh PECTINESTERASE

(Sitophilus
oryzae) 		PF01095
(Pectinesterase) 		5 ASN A 168
ALA A 178
ASP A 200
GLY A 145
ILE A 144
 None
 0.91A 3spkB-4pmhA:
undetectable		 3spkB-4pmhA:
13.37
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.
4rgb CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ALA A 102
ASP A 101
VAL A  48
ILE A 110
GLY A 108
 None
 1.02A 3spkB-4rgbA:
undetectable		 3spkB-4rgbA:
17.41
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.
4ttp DEPHOSPHO-COA KINASE

(Legionella
pneumophila) 		PF01121
(CoaE) 		5 LEU A 168
ALA A 175
ASP A 176
ASP A 177
ILE A 118
 None
 0.83A 3spkB-4ttpA:
undetectable		 3spkB-4ttpA:
20.73
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.
4ttp DEPHOSPHO-COA KINASE

(Legionella
pneumophila) 		PF01121
(CoaE) 		5 LEU A 168
ALA A 175
ASP A 177
GLY A  12
ILE A 118
 None
 1.01A 3spkB-4ttpA:
undetectable		 3spkB-4ttpA:
20.73
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.
4u14 MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M3

(Escherichia
virus T4;
Rattus
norvegicus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 LEU A  98
VAL A  90
ILE A  86
GLY A  84
THR A 553
 None
 1.03A 3spkB-4u14A:
undetectable		 3spkB-4u14A:
12.50
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.
4umv ZINC-TRANSPORTING
ATPASE

(Shigella sonnei) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 ALA A 403
VAL A 721
ILE A 398
ILE A 347
THR A 687
 None
 1.00A 3spkB-4umvA:
undetectable		 3spkB-4umvA:
10.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 ARG A  10
LEU A  30
ALA A  35
ASP A  36
VAL A  39
GLY A  58
 None
None
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
None
4B1  A 201 (-3.4A)
 0.74A 3spkB-4ydfA:
12.6		 3spkB-4ydfA:
31.03
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.
5a87 METALLO-BETA-LACTAMA
SE VIM-5

(Klebsiella
pneumoniae) 		PF00753
(Lactamase_B) 		5 LEU A  96
ALA A  86
ILE A  57
GLY A  71
ILE A  83
 None
 1.03A 3spkB-5a87A:
undetectable		 3spkB-5a87A:
16.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
ASN A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
 None
 1.05A 3spkB-5b18A:
18.0		 3spkB-5b18A:
79.80
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.
5ctm BETA-LACTAMASE

(Bacillus
pumilus) 		PF00905
(Transpeptidase) 		5 LEU A 262
VAL A  87
GLY A  73
ILE A 266
PRO A 197
 None
 1.05A 3spkB-5ctmA:
undetectable		 3spkB-5ctmA:
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.
5dji 3'-PHOSPHOADENOSINE
5'-PHOSPHATE
PHOSPHATASE

(Mycobacterium
tuberculosis) 		PF00459
(Inositol_P) 		5 LEU A 247
ALA A 201
ASP A 200
ILE A 179
PRO A 167
 None
 0.99A 3spkB-5djiA:
undetectable		 3spkB-5djiA:
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.
5e84 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		5 LEU A  35
ASP A 391
VAL A 394
GLY A 226
PRO A 173
 None
None
None
ATP  A 801 (-3.3A)
ZN  A 806 ( 4.6A)
 0.98A 3spkB-5e84A:
undetectable		 3spkB-5e84A:
10.87
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.
5f12 NAD(P)H
DEHYDROGENASE
(QUINONE)

(Escherichia
coli) 		PF03358
(FMN_red) 		5 LEU A 178
ALA A 161
ILE A  72
GLY A  74
ILE A  14
 None
None
None
None
FMN  A 201 (-3.9A)
 1.04A 3spkB-5f12A:
undetectable		 3spkB-5f12A:
18.78
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT

(Escherichia
coli) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 LEU B 172
ALA B  94
ASP B 164
VAL B 167
ILE B 227
 None
None
FAD  B 321 (-3.9A)
None
None
 0.90A 3spkB-5g5gB:
undetectable		 3spkB-5g5gB:
17.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gjj HEAT SHOCK 70 KDA
PROTEIN 1A

(Homo sapiens) 		PF00012
(HSP70) 		6 LEU A  19
ALA A 106
VAL A  54
ILE A  80
ILE A  43
THR A  21
 None
 1.13A 3spkB-5gjjA:
undetectable		 3spkB-5gjjA:
14.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hsb RNA POLYMERASE

(Andes
orthohantavirus) 		no annotation 5 ASN A  50
VAL A  60
ILE A 106
ILE A 109
THR A  95
 None
 0.97A 3spkB-5hsbA:
undetectable		 3spkB-5hsbA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jb3 30S RIBOSOMAL
PROTEIN S8E

(Pyrococcus
abyssi) 		PF01201
(Ribosomal_S8e) 		5 ASN J  64
ALA J  63
VAL J 110
ILE J  95
ILE J  78
 None
 1.05A 3spkB-5jb3J:
undetectable		 3spkB-5jb3J:
25.55
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 5 ALA A 102
VAL A  88
ILE A  78
GLY A 175
ILE A 174
 None
 1.03A 3spkB-5n4lA:
undetectable		 3spkB-5n4lA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
 0.59A 3spkB-5t2zA:
21.4		 3spkB-5t2zA:
84.85
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.
5tky PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		5 LEU A  14
ASP A 370
VAL A 373
GLY A 205
PRO A 150
 None
None
None
ATP  A 700 (-3.5A)
None
 0.95A 3spkB-5tkyA:
undetectable		 3spkB-5tkyA:
11.01
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.
5uib OXIDOREDUCTASE
PROTEIN

(Agrobacterium
tumefaciens) 		PF01408
(GFO_IDH_MocA) 		5 ASN A 222
ASP A 219
VAL A 194
GLY A 151
ILE A 248
 None
 0.97A 3spkB-5uibA:
undetectable		 3spkB-5uibA:
15.65
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.
5v0s PREPHENATE
DEHYDROGENASE

(Bacillus
anthracis) 		PF01842
(ACT) 		5 LEU A 367
ALA A 319
ASP A 315
GLY A 348
THR A 374
 None
 1.00A 3spkB-5v0sA:
undetectable		 3spkB-5v0sA:
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.
5vat PENICILLIN-BINDING
PROTEIN ACTIVATOR
LPOA

(Haemophilus
influenzae) 		PF04348
(LppC) 		5 ARG A 401
ASP A 488
ILE A 489
GLY A 546
ILE A 547
 None
 1.07A 3spkB-5vatA:
undetectable		 3spkB-5vatA:
9.80
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.
5vj1 MDCA

(Pseudomonas
aeruginosa) 		PF16957
(Mal_decarbox_Al) 		6 ASP A 457
ASP A 458
VAL A 417
ILE A 454
GLY A 366
ILE A 484
 None
 1.42A 3spkB-5vj1A:
undetectable		 3spkB-5vj1A:
14.52
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.
5w1a MYOSIN HEAVY CHAIN,
MUSCLE

(Drosophila
melanogaster) 		no annotation 5 ALA A 260
ASP A 261
VAL A 219
GLY A 457
ILE A 456
 None
 1.03A 3spkB-5w1aA:
undetectable		 3spkB-5w1aA:
22.64
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.
5x88 CUTINASE

(Malbranchea
cinnamomea) 		no annotation 5 ALA A 115
VAL A 136
ILE A 151
GLY A 120
ILE A  87
 None
 1.05A 3spkB-5x88A:
undetectable		 3spkB-5x88A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xgv PYRE3

(Streptomyces
rugosporus) 		no annotation 5 LEU A 155
ALA A 276
ASP A 275
GLY A  14
ILE A   7
 FAD  A 501 ( 4.3A)
None
FAD  A 501 (-3.1A)
None
None
 0.99A 3spkB-5xgvA:
undetectable		 3spkB-5xgvA:
25.24
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.
5xyi 40S RIBOSOMAL
PROTEIN S23,
PUTATIVE

(Trichomonas
vaginalis) 		PF00164
(Ribosom_S12_S23) 		5 LEU X  75
ALA X  84
VAL X  52
ILE X  95
ILE X 124
 None
None
None
None
C  2  27 ( 4.6A)
 0.91A 3spkB-5xyiX:
undetectable		 3spkB-5xyiX:
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.
6c7s PUTATIVE RIFAMPIN
MONOOXYGENASE

(Nocardia
farcinica) 		no annotation 5 LEU A 161
ALA A 277
ASP A 276
GLY A   8
ILE A   6
 None
None
FAD  A 501 (-2.8A)
FAD  A 501 (-3.3A)
None
 1.06A 3spkB-6c7sA:
undetectable		 3spkB-6c7sA:
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.
6eoe 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Cricetulus
griseus) 		no annotation 5 LEU A  35
ASP A 391
VAL A 394
GLY A 226
PRO A 173
 None
ADP  A 603 (-3.6A)
None
SO4  A 602 ( 3.4A)
SO4  A 602 ( 4.3A)
 0.99A 3spkB-6eoeA:
undetectable		 3spkB-6eoeA:
11.32
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.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 ARG A  13
LEU A  28
ALA A  33
ASP A  34
GLY A  58
 None
None
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
 0.38A 3spkB-6fivA:
15.8		 3spkB-6fivA:
29.20
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5

(Mus musculus) 		no annotation 5 LEU L 283
ALA L 408
VAL L 315
ILE L 399
ILE L 414
 None
 1.01A 3spkB-6g2jL:
undetectable		 3spkB-6g2jL:
16.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 None
None
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 0.72A 3spkB-6upjA:
18.5		 3spkB-6upjA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 None
None
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 1.48A 3spkB-6upjA:
18.5		 3spkB-6upjA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 LEU A  23
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.77A 3spkB-6upjA:
18.5		 3spkB-6upjA:
47.47