SIMILAR PATTERNS OF AMINO ACIDS FOR 3OWX_B_XRAB233_1

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.
1ne7 GLUCOSAMINE-6-PHOSPH
ATE ISOMERASE

(Homo sapiens) 		PF01182
(Glucosamine_iso) 		5 VAL A 199
PHE A  27
GLY A 130
GLY A 129
ILE A 125
 None
GLC  A 295 (-4.1A)
None
None
None
 1.39A 3owxA-1ne7A:
2.4
3owxB-1ne7A:
2.4		 3owxA-1ne7A:
20.88
3owxB-1ne7A:
20.88
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.
1ohf NUDAURELIA CAPENSIS
OMEGA VIRUS CAPSID
PROTEIN

(Nudaurelia
capensis omega
virus) 		PF03566
(Peptidase_A21) 		5 VAL A 446
GLY A 262
GLY A 263
TYR A 265
ASN A 438
 None
 1.47A 3owxA-1ohfA:
undetectable
3owxB-1ohfA:
undetectable		 3owxA-1ohfA:
16.15
3owxB-1ohfA:
16.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qbg NAD(P)H
DEHYDROGENASE
[QUINONE] 1

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		5 TRP A 105
GLY A 149
GLY A 150
MET A 154
TYR A 155
 FAD  A 501 (-4.5A)
FAD  A 501 (-3.9A)
FAD  A 501 (-4.0A)
None
FAD  A 501 (-4.9A)
 0.49A 3owxA-1qbgA:
32.9
3owxB-1qbgA:
32.8		 3owxA-1qbgA:
39.93
3owxB-1qbgA:
39.93
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.
1qnh PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Plasmodium
falciparum) 		PF00160
(Pro_isomerase) 		5 PHE A  23
PHE A  37
GLY A  71
GLY A  72
ILE A  59
 None
 1.01A 3owxA-1qnhA:
undetectable
3owxB-1qnhA:
undetectable		 3owxA-1qnhA:
21.67
3owxB-1qnhA:
21.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qrd QUINONE-REDUCTASE

(Rattus rattus) 		PF02525
(Flavodoxin_2) 		5 TRP A 105
GLY A 149
GLY A 150
MET A 154
TYR A 155
 DQN  A 276 ( 3.6A)
CBD  A 275 ( 3.7A)
FAD  A 274 (-3.7A)
CBD  A 275 ( 4.4A)
None
 0.41A 3owxA-1qrdA:
29.6
3owxB-1qrdA:
29.6		 3owxA-1qrdA:
41.88
3owxB-1qrdA:
41.88
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		5 PHE A 372
GLY A  14
GLY A  15
GLU A 443
ILE A 442
 None
 1.38A 3owxA-1sqjA:
undetectable
3owxB-1sqjA:
undetectable		 3owxA-1sqjA:
14.36
3owxB-1sqjA:
14.36
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.
1tuf DIAMINOPIMELATE
DECARBOXYLASE

(Methanocaldococcus
jannaschii) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 VAL A 221
PHE A  65
GLY A 262
GLY A 263
ILE A 225
 None
None
LLP  A  83 ( 4.6A)
LLP  A  83 ( 3.9A)
None
 1.34A 3owxA-1tufA:
undetectable
3owxB-1tufA:
undetectable		 3owxA-1tufA:
20.20
3owxB-1tufA:
20.20
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.
1tuf DIAMINOPIMELATE
DECARBOXYLASE

(Methanocaldococcus
jannaschii) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 VAL A 259
PHE A  65
GLY A 263
GLY A 264
ILE A 225
 None
None
LLP  A  83 ( 3.9A)
LLP  A  83 ( 3.4A)
None
 1.21A 3owxA-1tufA:
undetectable
3owxB-1tufA:
undetectable		 3owxA-1tufA:
20.20
3owxB-1tufA:
20.20
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.
1u7g PROBABLE AMMONIUM
TRANSPORTER

(Escherichia
coli) 		PF00909
(Ammonium_transp) 		5 VAL A 317
PHE A 193
GLY A 117
MET A  44
ILE A  28
 None
 1.27A 3owxA-1u7gA:
undetectable
3owxB-1u7gA:
undetectable		 3owxA-1u7gA:
21.53
3owxB-1u7gA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ule GALECTIN-2

(Coprinopsis
cinerea) 		PF00337
(Gal-bind_lectin) 		5 VAL A  62
PHE A  84
PHE A  30
GLY A  35
GLY A  34
 None
 1.21A 3owxA-1uleA:
undetectable
3owxB-1uleA:
undetectable		 3owxA-1uleA:
19.74
3owxB-1uleA:
19.74
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.
1vyh PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE IB
BETA SUBUNIT

(Homo sapiens) 		PF13472
(Lipase_GDSL_2) 		5 VAL A  50
PHE A 192
GLY A 201
GLY A 200
ILE A  58
 None
 1.48A 3owxA-1vyhA:
3.7
3owxB-1vyhA:
3.8		 3owxA-1vyhA:
23.97
3owxB-1vyhA:
23.97
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.
1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, ALPHA
SUBUNIT
PYRUVATE
DEHYDROGENASE E1
COMPONENT, BETA
SUBUNIT

(Geobacillus
stearothermophilus) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 VAL B  77
PHE B  53
PHE A 191
GLY B  63
GLY B  61
 None
PEG  A1369 ( 4.2A)
PEG  A1369 (-4.8A)
None
None
 1.16A 3owxA-1w85B:
5.0
3owxB-1w85B:
5.0		 3owxA-1w85B:
20.73
3owxB-1w85B:
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.
1xje RIBONUCLEOTIDE
REDUCTASE,
B12-DEPENDENT

(Thermotoga
maritima) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		5 VAL A 136
PHE A 374
GLY A 161
GLY A 160
ASN A  96
 None
None
GDP  A1002 (-4.4A)
GDP  A1002 ( 4.7A)
None
 1.36A 3owxA-1xjeA:
undetectable
3owxB-1xjeA:
undetectable		 3owxA-1xjeA:
16.54
3owxB-1xjeA:
16.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xje RIBONUCLEOTIDE
REDUCTASE,
B12-DEPENDENT

(Thermotoga
maritima) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		5 VAL A 137
PHE A 374
GLY A 161
GLY A 160
ASN A  96
 None
None
GDP  A1002 (-4.4A)
GDP  A1002 ( 4.7A)
None
 1.38A 3owxA-1xjeA:
undetectable
3owxB-1xjeA:
undetectable		 3owxA-1xjeA:
16.54
3owxB-1xjeA:
16.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z81 CYCLOPHILIN

(Plasmodium
yoelii) 		PF00160
(Pro_isomerase) 		5 PHE A  59
PHE A  73
GLY A 106
GLY A 107
ILE A  94
 None
 1.08A 3owxA-1z81A:
undetectable
3owxB-1z81A:
undetectable		 3owxA-1z81A:
20.49
3owxB-1z81A:
20.49
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.
2bih NITRATE REDUCTASE
[NADPH]

(Ogataea angusta) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 PHE A  87
TRP A 158
GLY A 247
TYR A 202
ILE A 241
 MTV  A1479 (-3.5A)
None
MTV  A1479 (-3.4A)
MTV  A1479 (-3.7A)
None
 1.39A 3owxA-2bihA:
undetectable
3owxB-2bihA:
undetectable		 3owxA-2bihA:
17.82
3owxB-2bihA:
17.82
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.
2e47 TIME INTERVAL
MEASURING ENZYME
TIME

(Bombyx mori) 		PF00080
(Sod_Cu) 		5 VAL A 104
GLY A  37
GLY A  38
TYR A  98
ILE A  23
 None
 1.47A 3owxA-2e47A:
undetectable
3owxB-2e47A:
undetectable		 3owxA-2e47A:
19.57
3owxB-2e47A:
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.
2g9i F420-0:GAMMA-GLUTAMY
L LIGASE

(Archaeoglobus
fulgidus) 		PF01996
(F420_ligase) 		5 VAL A  42
PHE A  99
GLY A 166
MET A 229
ILE A 147
 None
 1.19A 3owxA-2g9iA:
undetectable
3owxB-2g9iA:
undetectable		 3owxA-2g9iA:
20.38
3owxB-2g9iA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i9k MODIFICATION
METHYLASE HHAI

(Haemophilus
haemolyticus) 		PF00145
(DNA_methylase) 		5 VAL A 310
PHE A  14
GLY A  23
GLY A  22
TYR A  49
 None
None
SAH  A 328 (-3.6A)
None
None
 1.41A 3owxA-2i9kA:
undetectable
3owxB-2i9kA:
3.5		 3owxA-2i9kA:
21.53
3owxB-2i9kA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ifw SCYTALIDOPEPSIN B

(Scytalidium
lignicola) 		PF01828
(Peptidase_A4) 		5 VAL A 206
TRP A  58
GLY A   7
GLY A   8
ILE A 181
 None
 1.15A 3owxA-2ifwA:
undetectable
3owxB-2ifwA:
undetectable		 3owxA-2ifwA:
21.40
3owxB-2ifwA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2k0d COLICIN-E7 IMMUNITY
PROTEIN

(Escherichia
coli) 		PF01320
(Colicin_Pyocin) 		5 GLY X  69
GLY X  70
ASN X  64
GLU X  78
ILE X  75
 None
 1.29A 3owxA-2k0dX:
undetectable
3owxB-2k0dX:
undetectable		 3owxA-2k0dX:
19.05
3owxB-2k0dX:
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.
2kho HEAT SHOCK PROTEIN
70

(Escherichia
coli) 		PF00012
(HSP70) 		5 VAL A 440
PHE A 426
GLY A 406
GLY A 405
ASN A 537
 None
 1.27A 3owxA-2khoA:
undetectable
3owxB-2khoA:
undetectable		 3owxA-2khoA:
19.31
3owxB-2khoA:
19.31
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.
2r4j AEROBIC
GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF01266
(DAO)
PF16901
(DAO_C) 		5 PHE A  87
PHE A 257
GLY A  51
GLY A  52
TYR A  55
 None
None
None
None
13P  A1968 (-4.6A)
 1.36A 3owxA-2r4jA:
undetectable
3owxB-2r4jA:
undetectable		 3owxA-2r4jA:
19.64
3owxB-2r4jA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vtw FIBER PROTEIN 2

(Fowl
aviadenovirus A) 		PF16812
(AdHead_fibreRBD) 		5 VAL A 397
PHE A 277
PHE A 234
GLY A 224
ILE A 293
 None
 1.39A 3owxA-2vtwA:
undetectable
3owxB-2vtwA:
undetectable		 3owxA-2vtwA:
20.23
3owxB-2vtwA:
20.23
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.
2wtz UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--2,6-DIAMINOPIMELA
TE LIGASE

(Mycobacterium
tuberculosis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 GLY A 156
TYR A 343
ASN A 344
GLU A 220
ILE A 151
 None
 1.41A 3owxA-2wtzA:
3.1
3owxB-2wtzA:
2.8		 3owxA-2wtzA:
17.72
3owxB-2wtzA:
17.72
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.
2x05 EXO-BETA-D-GLUCOSAMI
NIDASE

(Amycolatopsis
orientalis) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		5 TRP A 201
GLY A 362
ASN A 645
GLU A 541
ILE A 640
 None
None
None
X05  A1900 (-2.5A)
None
 1.32A 3owxA-2x05A:
undetectable
3owxB-2x05A:
undetectable		 3owxA-2x05A:
12.67
3owxB-2x05A:
12.67
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.
3c37 PEPTIDASE, M48
FAMILY

(Geobacter
sulfurreducens) 		PF01435
(Peptidase_M48) 		5 VAL A 129
GLY A  81
GLY A  82
TYR A  64
ILE A  79
 None
 1.36A 3owxA-3c37A:
undetectable
3owxB-3c37A:
undetectable		 3owxA-3c37A:
24.01
3owxB-3c37A:
24.01
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.
3d4j DIPHOSPHOMEVALONATE
DECARBOXYLASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N) 		5 VAL A 319
PHE A 249
PHE A 252
TRP A 192
ILE A 199
 None
 1.45A 3owxA-3d4jA:
undetectable
3owxB-3d4jA:
undetectable		 3owxA-3d4jA:
18.99
3owxB-3d4jA:
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.
3ddu PROLYL ENDOPEPTIDASE

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 VAL A 580
PHE A 527
GLY A 475
GLY A 507
ILE A 478
 None
 1.42A 3owxA-3dduA:
2.6
3owxB-3dduA:
undetectable		 3owxA-3dduA:
15.21
3owxB-3dduA:
15.21
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.
3g5t TRANS-ACONITATE
3-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF13847
(Methyltransf_31) 		5 VAL A  41
PHE A 126
GLY A  46
TYR A  14
ILE A  74
 None
SAH  A 308 (-4.6A)
SAH  A 308 (-3.6A)
SAH  A 308 ( 4.6A)
None
 1.43A 3owxA-3g5tA:
undetectable
3owxB-3g5tA:
undetectable		 3owxA-3g5tA:
23.10
3owxB-3g5tA:
23.10
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.
3hig AMILORIDE-SENSITIVE
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 VAL A 207
GLY A 216
TYR A 238
ASN A 239
ILE A 202
 None
 1.45A 3owxA-3higA:
undetectable
3owxB-3higA:
undetectable		 3owxA-3higA:
15.94
3owxB-3higA:
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.
3hn6 GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Borreliella
burgdorferi) 		PF01182
(Glucosamine_iso) 		5 VAL A 199
PHE A  27
GLY A 130
GLY A 129
ILE A 125
 None
 1.43A 3owxA-3hn6A:
2.3
3owxB-3hn6A:
2.1		 3owxA-3hn6A:
21.07
3owxB-3hn6A:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ktc XYLOSE ISOMERASE

(Pectobacterium
atrosepticum) 		PF01261
(AP_endonuc_2) 		5 VAL A 198
PHE A 254
PHE A 255
GLY A 265
ILE A  77
 None
None
None
EDO  A 341 (-3.3A)
None
 1.39A 3owxA-3ktcA:
undetectable
3owxB-3ktcA:
undetectable		 3owxA-3ktcA:
22.83
3owxB-3ktcA:
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.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 VAL A 784
PHE A 690
GLY A 488
ASN A 517
ILE A 482
 None
 1.27A 3owxA-3la4A:
undetectable
3owxB-3la4A:
undetectable		 3owxA-3la4A:
13.17
3owxB-3la4A:
13.17
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.
3ld8 BIFUNCTIONAL
ARGININE DEMETHYLASE
AND
LYSYL-HYDROXYLASE
JMJD6

(Homo sapiens) 		PF02373
(JmjC) 		5 VAL A  71
PHE A 156
PHE A 288
GLY A 269
ASN A 293
 None
 1.25A 3owxA-3ld8A:
undetectable
3owxB-3ld8A:
undetectable		 3owxA-3ld8A:
24.64
3owxB-3ld8A:
24.64
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.
3lo0 INORGANIC
PYROPHOSPHATASE

(Ehrlichia
chaffeensis) 		PF00719
(Pyrophosphatase) 		5 VAL A  29
PHE A 138
PHE A 139
GLY A  57
ILE A  20
 None
 1.34A 3owxA-3lo0A:
undetectable
3owxB-3lo0A:
undetectable		 3owxA-3lo0A:
24.03
3owxB-3lo0A:
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.
3ml0 PENICILLIN G
ACYLASE, BETA
SUBUNIT

(Alcaligenes
faecalis) 		PF01804
(Penicil_amidase) 		5 VAL B 391
PHE B 297
PHE B 343
TRP B 346
GLY B 371
 None
 1.38A 3owxA-3ml0B:
undetectable
3owxB-3ml0B:
undetectable		 3owxA-3ml0B:
18.06
3owxB-3ml0B:
18.06
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.
3naw SECRETED EFFECTOR
PROTEIN

(Escherichia
coli) 		PF00805
(Pentapeptide)
PF13979
(SopA_C)
PF13981
(SopA) 		5 VAL A 665
PHE A 607
GLY A 690
GLY A 691
ILE A 720
 None
 1.22A 3owxA-3nawA:
undetectable
3owxB-3nawA:
undetectable		 3owxA-3nawA:
17.43
3owxB-3nawA:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o7t CYCLOPHILIN A

(Moniliophthora
perniciosa) 		PF00160
(Pro_isomerase) 		5 PHE A  20
PHE A  34
GLY A  62
GLY A  63
ILE A  50
 None
 0.99A 3owxA-3o7tA:
undetectable
3owxB-3o7tA:
undetectable		 3owxA-3o7tA:
23.61
3owxB-3o7tA:
23.61
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.
3p2n 3,6-ANHYDRO-ALPHA-L-
GALACTOSIDASE

(Zobellia
galactanivorans) 		PF04616
(Glyco_hydro_43) 		5 VAL A 352
GLY A 308
ASN A 306
GLU A 310
ILE A 311
 None
 1.38A 3owxA-3p2nA:
undetectable
3owxB-3p2nA:
undetectable		 3owxA-3p2nA:
20.05
3owxB-3p2nA:
20.05
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.
3pmq DECAHEME CYTOCHROME
C MTRF

(Shewanella
oneidensis) 		no annotation 5 VAL A 211
PHE A 119
GLY A 156
GLY A 157
ILE A 168
 None
 1.05A 3owxA-3pmqA:
undetectable
3owxB-3pmqA:
undetectable		 3owxA-3pmqA:
17.86
3owxB-3pmqA:
17.86
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.
3s5n 4-HYDROXY-2-OXOGLUTA
RATE ALDOLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00701
(DHDPS) 		5 VAL A  42
PHE A  69
GLY A 238
GLY A 237
TYR A 231
 EDO  A   3 (-3.7A)
None
None
None
None
 1.48A 3owxA-3s5nA:
undetectable
3owxB-3s5nA:
undetectable		 3owxA-3s5nA:
23.25
3owxB-3s5nA:
23.25
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.
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima) 		PF13458
(Peripla_BP_6) 		5 VAL A 353
PHE A  36
GLY A 240
TYR A 166
ILE A 214
 None
PHE  A 400 (-3.7A)
None
PHE  A 400 (-3.8A)
None
 1.35A 3owxA-3td9A:
undetectable
3owxB-3td9A:
2.0		 3owxA-3td9A:
20.11
3owxB-3td9A:
20.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		8 TRP A 105
GLY A 149
GLY A 150
MET A 154
TYR A 155
ASN A 161
GLU A 193
ILE A 194
 FAD  A 232 ( 4.3A)
FAD  A 232 (-3.6A)
FAD  A 232 (-3.6A)
None
FAD  A 232 (-4.6A)
None
FAD  A 232 ( 3.1A)
None
 0.35A 3owxA-3te7A:
38.9
3owxB-3te7A:
39.8		 3owxA-3te7A:
100.00
3owxB-3te7A:
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 VAL A1617
GLY A1621
GLY A1622
ASN A1318
ILE A1557
 None
 1.25A 3owxA-3va7A:
undetectable
3owxB-3va7A:
2.7		 3owxA-3va7A:
11.15
3owxB-3va7A:
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.
3vab DIAMINOPIMELATE
DECARBOXYLASE 1

(Brucella
melitensis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 PHE A  49
PHE A  45
GLY A 238
GLY A 239
ILE A 201
 None
None
LLP  A  61 ( 4.8A)
LLP  A  61 ( 3.6A)
None
 1.27A 3owxA-3vabA:
undetectable
3owxB-3vabA:
undetectable		 3owxA-3vabA:
20.95
3owxB-3vabA:
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.
3vla EDGP

(Daucus carota) 		PF14541
(TAXi_C)
PF14543
(TAXi_N) 		5 PHE A 386
PHE A 178
GLY A  42
GLY A  43
ILE A 273
 None
 1.44A 3owxA-3vlaA:
undetectable
3owxB-3vlaA:
undetectable		 3owxA-3vlaA:
17.83
3owxB-3vlaA:
17.83
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.
3vpz GLUCOKINASE

(Pseudoalteromonas
sp. AS-131) 		PF02685
(Glucokinase) 		5 VAL A 109
PHE A  23
PHE A  44
GLY A  17
GLY A  18
 None
 1.41A 3owxA-3vpzA:
undetectable
3owxB-3vpzA:
undetectable		 3owxA-3vpzA:
20.82
3owxB-3vpzA:
20.82
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.
3vsv XYLOSIDASE

(Thermoanaerobacterium
saccharolyticum) 		PF13229
(Beta_helix) 		5 VAL A 365
GLY A 242
TYR A 207
ASN A 244
ILE A 251
 None
 1.45A 3owxA-3vsvA:
undetectable
3owxB-3vsvA:
undetectable		 3owxA-3vsvA:
17.06
3owxB-3vsvA:
17.06
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.
3wwe OXIDIZED POLYVINYL
ALCOHOL HYDROLASE

(Pseudomonas sp.
VM15C) 		no annotation 5 PHE A 148
TRP A 189
GLY A 175
GLY A 174
ILE A 171
 None
 1.44A 3owxA-3wweA:
2.9
3owxB-3wweA:
2.8		 3owxA-3wweA:
20.27
3owxB-3wweA:
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.
3x0y DSZC

(Rhodococcus
erythropolis) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 PHE A 174
TRP A 141
TYR A  96
ASN A 129
ILE A 253
 None
None
FMN  A 500 (-3.4A)
FMN  A 500 (-2.8A)
None
 1.39A 3owxA-3x0yA:
undetectable
3owxB-3x0yA:
undetectable		 3owxA-3x0yA:
19.82
3owxB-3x0yA:
19.82
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.
3zk6 BCL-2-LIKE PROTEIN 1

(Homo sapiens) 		PF00452
(Bcl-2)
PF02180
(BH4) 		5 PHE A  27
GLY A 148
GLY A 147
MET A 170
GLU A  98
 None
 1.28A 3owxA-3zk6A:
undetectable
3owxB-3zk6A:
undetectable		 3owxA-3zk6A:
21.70
3owxB-3zk6A:
21.70
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.
3zuz PROTEIN SHQ1

(Saccharomyces
cerevisiae) 		PF04925
(SHQ1) 		5 PHE A 273
GLY A 402
GLY A 401
GLU A 444
ILE A 447
 None
 1.40A 3owxA-3zuzA:
undetectable
3owxB-3zuzA:
undetectable		 3owxA-3zuzA:
22.01
3owxB-3zuzA:
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.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		5 PHE X 613
PHE X 609
GLY X 382
MET X 384
ILE X 378
 None
 0.96A 3owxA-3zyyX:
undetectable
3owxB-3zyyX:
undetectable		 3owxA-3zyyX:
18.89
3owxB-3zyyX:
18.89
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.
4ap3 STEROID
MONOOXYGENASE

(Rhodococcus
rhodochrous) 		PF00743
(FMO-like) 		5 VAL A 153
PHE A 120
GLY A  58
GLY A  57
ILE A  31
 None
None
FAD  A1552 (-3.1A)
None
FAD  A1552 (-3.9A)
 1.30A 3owxA-4ap3A:
undetectable
3owxB-4ap3A:
4.1		 3owxA-4ap3A:
18.13
3owxB-4ap3A:
18.13
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.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 VAL B 784
PHE B 690
GLY B 488
ASN B 517
ILE B 482
 None
 1.27A 3owxA-4g7eB:
undetectable
3owxB-4g7eB:
undetectable		 3owxA-4g7eB:
14.64
3owxB-4g7eB:
14.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gi5 QUINONE REDUCTASE

(Klebsiella
pneumoniae) 		PF02525
(Flavodoxin_2) 		5 TRP A 102
GLY A 154
GLY A 155
TYR A 160
ASN A 166
 FAD  A 301 (-4.1A)
FAD  A 301 (-3.6A)
FAD  A 301 (-3.5A)
FAD  A 301 (-4.7A)
None
 0.36A 3owxA-4gi5A:
30.3
3owxB-4gi5A:
30.4		 3owxA-4gi5A:
38.10
3owxB-4gi5A:
38.10
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.
4gk9 AGGLUTININ (BOA)

(Burkholderia
oklahomensis) 		no annotation 5 PHE A 136
GLY A  29
GLY A  28
ASN A  16
ILE A 230
 None
 1.31A 3owxA-4gk9A:
undetectable
3owxB-4gk9A:
undetectable		 3owxA-4gk9A:
22.73
3owxB-4gk9A:
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.
4hv4 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Yersinia pestis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 VAL A 151
PHE A 321
GLY A 129
ASN A 293
GLU A 174
 None
None
AMP  A 501 (-3.2A)
None
None
 1.30A 3owxA-4hv4A:
4.0
3owxB-4hv4A:
4.2		 3owxA-4hv4A:
19.10
3owxB-4hv4A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jro FABG PROTEIN

(Listeria
monocytogenes) 		PF13561
(adh_short_C2) 		5 PHE A  74
PHE A  73
GLY A  12
GLY A  13
ILE A  21
 None
 1.36A 3owxA-4jroA:
6.3
3owxB-4jroA:
4.8		 3owxA-4jroA:
22.06
3owxB-4jroA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kps HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 VAL A 186
GLY A 250
GLY A 249
ASN A 248
ILE A 182
 None
 1.45A 3owxA-4kpsA:
undetectable
3owxB-4kpsA:
undetectable		 3owxA-4kpsA:
22.70
3owxB-4kpsA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l27 CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		no annotation 5 VAL B  90
GLY B 347
TYR B 381
ASN B 380
ILE B 339
 None
 1.44A 3owxA-4l27B:
undetectable
3owxB-4l27B:
undetectable		 3owxA-4l27B:
17.88
3owxB-4l27B:
17.88
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.
4lmo TELOMERASE REVERSE
TRANSCRIPTASE

(Takifugu
rubripes) 		PF12009
(Telomerase_RBD) 		5 VAL A 423
PHE A 494
TRP A 470
GLY A 330
ILE A 328
 None
 1.47A 3owxA-4lmoA:
undetectable
3owxB-4lmoA:
undetectable		 3owxA-4lmoA:
23.70
3owxB-4lmoA:
23.70
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.
4nn0 COMPLEMENT C1Q TUMOR
NECROSIS
FACTOR-RELATED
PROTEIN 5

(Homo sapiens) 		PF00386
(C1q) 		5 VAL A 159
PHE A 125
PHE A 227
GLY A 193
GLY A 194
 None
 1.35A 3owxA-4nn0A:
undetectable
3owxB-4nn0A:
undetectable		 3owxA-4nn0A:
22.08
3owxB-4nn0A:
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.
4po2 HEAT SHOCK 70 KDA
PROTEIN 1A/1B

(Homo sapiens) 		PF00012
(HSP70) 		5 VAL A 442
PHE A 428
GLY A 408
GLY A 407
ASN A 540
 None
 1.24A 3owxA-4po2A:
undetectable
3owxB-4po2A:
undetectable		 3owxA-4po2A:
20.61
3owxB-4po2A:
20.61
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.
4q6r SPHINGOSINE-1-PHOSPH
ATE LYASE 1

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		5 GLY A 398
GLY A 399
TYR A 164
GLU A 185
ILE A 184
 None
 1.17A 3owxA-4q6rA:
undetectable
3owxB-4q6rA:
undetectable		 3owxA-4q6rA:
20.35
3owxB-4q6rA:
20.35
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.
4r1p L-ARABINOSE
ISOMERASE

(Geobacillus
kaustophilus) 		PF02610
(Arabinose_Isome)
PF11762
(Arabinose_Iso_C) 		5 PHE A  51
GLY A  15
MET A  81
GLU A  60
ILE A  61
 None
 1.45A 3owxA-4r1pA:
4.0
3owxB-4r1pA:
3.8		 3owxA-4r1pA:
18.77
3owxB-4r1pA:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rih GLYCOSYL TRANSFERASE
HOMOLOG,GLYCOSYL
TRANSFERASE

(Streptomyces
cyanogenus;
Streptomyces
fradiae) 		PF06722
(DUF1205) 		5 VAL A 287
PHE A 170
GLY A 114
GLY A 113
TYR A 131
 3R2  A 401 (-3.6A)
None
None
None
None
 1.23A 3owxA-4rihA:
4.8
3owxB-4rihA:
4.9		 3owxA-4rihA:
21.23
3owxB-4rihA:
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.
4ufc GH95

(Bacteroides
ovatus) 		PF14498
(Glyco_hyd_65N_2) 		5 VAL A 498
PHE A 482
PHE A 478
GLY A 444
GLY A 445
 None
 1.29A 3owxA-4ufcA:
undetectable
3owxB-4ufcA:
undetectable		 3owxA-4ufcA:
13.67
3owxB-4ufcA:
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.
4ufc GH95

(Bacteroides
ovatus) 		PF14498
(Glyco_hyd_65N_2) 		5 VAL A 498
PHE A 482
PHE A 478
GLY A 445
ILE A 371
 None
 1.37A 3owxA-4ufcA:
undetectable
3owxB-4ufcA:
undetectable		 3owxA-4ufcA:
13.67
3owxB-4ufcA:
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.
4whx BRANCHED-CHAIN-AMINO
-ACID TRANSAMINASE

(Burkholderia
pseudomallei) 		PF01063
(Aminotran_4) 		5 VAL A 158
PHE A  38
GLY A 198
TYR A 131
GLU A 195
 None
LLP  A 161 ( 4.4A)
ALA  A 401 (-4.0A)
EDO  A 402 (-3.7A)
LLP  A 161 ( 3.1A)
 1.10A 3owxA-4whxA:
undetectable
3owxB-4whxA:
undetectable		 3owxA-4whxA:
23.10
3owxB-4whxA:
23.10
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.
4xfe TRAP DICARBOXYLATE
TRANSPORTER SUBUNIT
DCTP

(Pseudomonas
putida) 		PF03480
(DctP) 		5 VAL A 100
GLY A 124
GLY A 121
TYR A 328
ILE A 118
 None
None
None
CXS  A 402 (-3.0A)
None
 1.38A 3owxA-4xfeA:
undetectable
3owxB-4xfeA:
undetectable		 3owxA-4xfeA:
21.02
3owxB-4xfeA:
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.
4yg8 CHITIN BIOSYNTHESIS
PROTEIN CHS6

(Saccharomyces
cerevisiae) 		PF09295
(ChAPs) 		5 PHE B 371
TRP B 523
GLY B 530
GLU B 534
ILE B 535
 None
 1.37A 3owxA-4yg8B:
undetectable
3owxB-4yg8B:
undetectable		 3owxA-4yg8B:
14.14
3owxB-4yg8B:
14.14
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.
4z43 FLAVIN-DEPENDENT
TRYPTOPHAN
HALOGENASE PRNA

(Pseudomonas
fluorescens) 		PF04820
(Trp_halogenase) 		5 VAL A 246
PHE A 319
PHE A 341
GLY A  48
ILE A 276
 None
None
FAD  A 601 (-4.4A)
FAD  A 601 (-3.4A)
None
 1.33A 3owxA-4z43A:
undetectable
3owxB-4z43A:
undetectable		 3owxA-4z43A:
18.22
3owxB-4z43A:
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.
4z5q CYTOCHROME P450
HYDROXYLASE

(Streptomyces
atroolivaceus) 		PF00067
(p450) 		5 VAL A 360
PHE A 345
GLY A 241
GLY A 240
ILE A 237
 None
HEM  A 401 (-4.6A)
HEM  A 401 (-3.2A)
P33  A 407 ( 3.4A)
HEM  A 401 (-4.5A)
 0.90A 3owxA-4z5qA:
undetectable
3owxB-4z5qA:
undetectable		 3owxA-4z5qA:
21.21
3owxB-4z5qA:
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.
5a4a MATERNAL EFFECT
PROTEIN OSKAR

(Drosophila
melanogaster) 		PF17182
(OSK) 		5 VAL A 456
TRP A 588
GLY A 484
ASN A 540
ILE A 461
 None
 1.12A 3owxA-5a4aA:
undetectable
3owxB-5a4aA:
2.7		 3owxA-5a4aA:
24.21
3owxB-5a4aA:
24.21
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.
5bp9 PUTATIVE
METHYLTRANSFERASE
PROTEIN

(Bacteroides
fragilis) 		PF13489
(Methyltransf_23) 		5 PHE A 132
GLY A 151
GLY A 149
MET A 178
ILE A 225
 None
 1.39A 3owxA-5bp9A:
undetectable
3owxB-5bp9A:
undetectable		 3owxA-5bp9A:
20.00
3owxB-5bp9A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5btr NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-1

(Homo sapiens) 		PF02146
(SIR2) 		5 VAL A 264
PHE A 273
PHE A 297
GLY A 364
GLU A 351
 None
 1.48A 3owxA-5btrA:
4.8
3owxB-5btrA:
4.9		 3owxA-5btrA:
21.20
3owxB-5btrA:
21.20
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.
5c3l NANOBODY NB15

(Camelus
dromedarius) 		PF07686
(V-set) 		5 PHE D  29
GLY D  52
GLY D  55
ASN D  74
ILE D  58
 None
 0.98A 3owxA-5c3lD:
undetectable
3owxB-5c3lD:
undetectable		 3owxA-5c3lD:
20.87
3owxB-5c3lD:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c3l NANOBODY NB15

(Camelus
dromedarius) 		PF07686
(V-set) 		5 VAL D  47
PHE D  29
GLY D  55
ASN D  74
ILE D  58
 None
 1.48A 3owxA-5c3lD:
undetectable
3owxB-5c3lD:
undetectable		 3owxA-5c3lD:
20.87
3owxB-5c3lD:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ce8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Thermoproteus
uzoniensis) 		PF01063
(Aminotran_4) 		5 VAL A 147
PHE A  31
GLY A 187
TYR A 124
GLU A 184
 None
None
PLP  A 301 ( 4.3A)
None
PLP  A 301 (-2.7A)
 1.14A 3owxA-5ce8A:
undetectable
3owxB-5ce8A:
undetectable		 3owxA-5ce8A:
22.53
3owxB-5ce8A:
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 VAL A1477
PHE A1489
GLY A1339
TYR A1494
ILE A1342
 None
 1.16A 3owxA-5dotA:
undetectable
3owxB-5dotA:
undetectable		 3owxA-5dotA:
9.51
3owxB-5dotA:
9.51
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.
5fl7 ATP SYNTHASE SUBUNIT
ALPHA

(Yarrowia
lipolytica) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 VAL A 468
PHE A 494
PHE A 530
GLY A 474
GLY A 477
 None
 1.37A 3owxA-5fl7A:
undetectable
3owxB-5fl7A:
undetectable		 3owxA-5fl7A:
17.96
3owxB-5fl7A:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i1w CRMK

(Actinoalloteichus
sp. WH1-2216-6) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 VAL A  79
GLY A 130
GLY A 131
ASN A 448
ILE A 197
 None
FAD  A 601 (-3.6A)
FAD  A 601 (-3.2A)
FAD  A 601 ( 3.5A)
FAD  A 601 (-3.6A)
 1.32A 3owxA-5i1wA:
undetectable
3owxB-5i1wA:
undetectable		 3owxA-5i1wA:
18.20
3owxB-5i1wA:
18.20
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 PHE A1349
GLY A1621
GLY A1622
ASN A1318
ILE A1557
 None
 1.26A 3owxA-5i8iA:
undetectable
3owxB-5i8iA:
undetectable		 3owxA-5i8iA:
10.91
3owxB-5i8iA:
10.91
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 VAL A1617
GLY A1621
GLY A1622
ASN A1318
ILE A1557
 None
 1.25A 3owxA-5i8iA:
undetectable
3owxB-5i8iA:
undetectable		 3owxA-5i8iA:
10.91
3owxB-5i8iA:
10.91
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.
5k6o B-GLUCOSIDASE

(metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 PHE A 599
GLY A 204
GLY A 203
TYR A  52
ASN A 179
 None
 1.43A 3owxA-5k6oA:
3.0
3owxB-5k6oA:
2.9		 3owxA-5k6oA:
13.36
3owxB-5k6oA:
13.36
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.
5mms CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		PF00291
(PALP) 		5 VAL A  90
GLY A 347
TYR A 381
ASN A 380
ILE A 339
 None
 1.41A 3owxA-5mmsA:
undetectable
3owxB-5mmsA:
undetectable		 3owxA-5mmsA:
21.32
3owxB-5mmsA:
21.32
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.
5msc CARBOXYLIC ACID
REDUCTASE

(Nocardia
iowensis) 		PF00501
(AMP-binding) 		5 TRP A 276
GLY A 315
TYR A  55
GLU A 339
ILE A 291
 None
 1.38A 3owxA-5mscA:
3.2
3owxB-5mscA:
3.2		 3owxA-5mscA:
11.62
3owxB-5mscA:
11.62
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.
5t9g GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 PHE A 460
TRP A 657
GLY A 550
ASN A 508
ILE A 569
 None
GIF  A 901 ( 4.4A)
None
None
None
 1.28A 3owxA-5t9gA:
undetectable
3owxB-5t9gA:
undetectable		 3owxA-5t9gA:
13.92
3owxB-5t9gA:
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.
5ts5 AMINE OXIDASE

(Bothrops atrox) 		PF01593
(Amino_oxidase) 		5 VAL A 215
PHE A  11
TYR A 229
ASN A   5
GLU A 209
 None
 1.48A 3owxA-5ts5A:
2.9
3owxB-5ts5A:
3.0		 3owxA-5ts5A:
19.20
3owxB-5ts5A:
19.20
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.
5uao TRYPTOPHANE-5-HALOGE
NASE

(Microbispora
sp. ATCC
PTA-5024) 		PF04820
(Trp_halogenase) 		5 VAL A 260
PHE A 328
PHE A 350
GLY A  71
ILE A 287
 None
None
FAD  A 601 (-4.3A)
FAD  A 601 (-3.2A)
None
 1.38A 3owxA-5uaoA:
3.4
3owxB-5uaoA:
3.3		 3owxA-5uaoA:
20.55
3owxB-5uaoA:
20.55
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.
5ujz HEMAGGLUTININ HA1
HEMAGGLUTININ HA2

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLY B 512
GLY B 513
ASN A 323
GLU B 511
ILE B 510
 None
 1.47A 3owxA-5ujzB:
undetectable
3owxB-5ujzB:
undetectable		 3owxA-5ujzB:
23.48
3owxB-5ujzB:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vj1 MDCA

(Pseudomonas
aeruginosa) 		PF16957
(Mal_decarbox_Al) 		5 VAL A 417
PHE A 226
GLY A 381
GLY A 380
ASN A  59
 None
None
None
None
CL  A 601 (-4.4A)
 1.39A 3owxA-5vj1A:
undetectable
3owxB-5vj1A:
2.8		 3owxA-5vj1A:
19.41
3owxB-5vj1A:
19.41
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.
5vkp POTASSIUM CHANNEL
SUBFAMILY K MEMBER 2

(Mus musculus) 		PF07885
(Ion_trans_2) 		5 VAL A 273
PHE A 145
GLY A 260
GLY A 261
ASN A 147
 None
None
Q5F  A 404 (-4.2A)
Q5F  A 404 ( 3.7A)
None
 1.48A 3owxA-5vkpA:
undetectable
3owxB-5vkpA:
undetectable		 3owxA-5vkpA:
20.70
3owxB-5vkpA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wwp ORF1AB

(Middle East
respiratory
syndrome-related
coronavirus) 		no annotation 5 PHE B 499
GLY B 571
TYR B 543
GLU B 447
ILE B 448
 None
 1.30A 3owxA-5wwpB:
undetectable
3owxB-5wwpB:
undetectable		 3owxA-5wwpB:
17.83
3owxB-5wwpB:
17.83
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.
6cm4 D(2) DOPAMINE
RECEPTOR, ENDOLYSIN
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		no annotation 5 VAL A 196
PHE A 390
PHE A 389
TRP A 386
ILE A 183
 None
8NU  A2001 ( 4.8A)
8NU  A2001 ( 4.5A)
8NU  A2001 ( 3.8A)
None
 1.32A 3owxA-6cm4A:
undetectable
3owxB-6cm4A:
undetectable		 3owxA-6cm4A:
20.31
3owxB-6cm4A:
20.31
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.
6d0n CLC-TYPE
FLUORIDE/PROTON
ANTIPORTER

(Enterococcus
casseliflavus) 		no annotation 5 PHE A 353
PHE A 323
GLY A 317
GLY A 116
ILE A 310
 None
 1.27A 3owxA-6d0nA:
undetectable
3owxB-6d0nA:
undetectable		 3owxA-6d0nA:
18.61
3owxB-6d0nA:
18.61
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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 5 PHE A 343
GLY A 282
GLY A 267
ASN A 306
ILE A 236
 None
 1.40A 3owxA-6eotA:
2.9
3owxB-6eotA:
2.8		 3owxA-6eotA:
18.09
3owxB-6eotA:
18.09
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.
6gbn -

(-) 		no annotation 5 VAL A 360
GLY A 230
GLY A 228
TYR A 224
ILE A 302
 None
None
None
None
NAD  A 502 (-4.3A)
 1.34A 3owxA-6gbnA:
4.2
3owxB-6gbnA:
4.4		 3owxA-6gbnA:
undetectable
3owxB-6gbnA:
undetectable