SIMILAR PATTERNS OF AMINO ACIDS FOR 3U9F_H_CLMH221_0

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.
1aux SYNAPSIN IA

(Bos taurus) 		PF02078
(Synapsin)
PF02750
(Synapsin_C) 		5 SER A 390
SER A 212
LEU A 116
VAL A 143
VAL A 410
 None
 1.28A 3u9fH-1auxA:
0.0
3u9fI-1auxA:
0.0		 3u9fH-1auxA:
19.29
3u9fI-1auxA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aux SYNAPSIN IA

(Bos taurus) 		PF02078
(Synapsin)
PF02750
(Synapsin_C) 		5 SER A 390
SER A 212
VAL A 143
PHE A 130
VAL A 410
 None
 1.37A 3u9fH-1auxA:
0.0
3u9fI-1auxA:
0.0		 3u9fH-1auxA:
19.29
3u9fI-1auxA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fc9 PHOTOSYSTEM II D1
PROTEASE

(Tetradesmus
obliquus) 		PF03572
(Peptidase_S41)
PF13180
(PDZ_2) 		5 SER A 374
LEU A 282
VAL A 280
PHE A 297
VAL A 326
 None
 1.33A 3u9fH-1fc9A:
0.0
3u9fI-1fc9A:
undetectable		 3u9fH-1fc9A:
19.02
3u9fI-1fc9A:
19.02
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.
1ghs 1,3-BETA-GLUCANASE

(Hordeum vulgare) 		PF00332
(Glyco_hydro_17) 		5 SER A 232
TYR A 250
VAL A 210
PHE A 187
HIS A 257
 None
 1.44A 3u9fH-1ghsA:
0.0
3u9fI-1ghsA:
0.0		 3u9fH-1ghsA:
21.97
3u9fI-1ghsA:
21.97
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.
1hdf SPHERULIN 3A

(Physarum
polycephalum) 		PF08964
(Crystall_3) 		5 THR A  56
LEU A  17
VAL A  47
PHE A  37
VAL A  30
 None
 1.31A 3u9fH-1hdfA:
undetectable
3u9fI-1hdfA:
0.0		 3u9fH-1hdfA:
18.69
3u9fI-1hdfA:
18.69
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.
1kwg BETA-GALACTOSIDASE

(Thermus
thermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 SER A 487
LEU A 461
VAL A 403
PHE A 472
VAL A 464
 None
 1.47A 3u9fH-1kwgA:
0.0
3u9fI-1kwgA:
0.0		 3u9fH-1kwgA:
15.04
3u9fI-1kwgA:
15.04
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.
1m54 CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		PF00291
(PALP) 		5 SER A 326
SER A 254
LEU A 374
VAL A 372
CYH A 346
 None
PLP  A1110 ( 4.3A)
None
None
None
 1.00A 3u9fH-1m54A:
0.0
3u9fI-1m54A:
0.0		 3u9fH-1m54A:
19.73
3u9fI-1m54A:
19.73
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.
1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 SER A 291
LEU A 303
VAL A 305
PHE A 310
VAL A 318
 None
 1.42A 3u9fH-1mdfA:
0.0
3u9fI-1mdfA:
0.0		 3u9fH-1mdfA:
18.44
3u9fI-1mdfA:
18.44
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 THR A  66
PHE A  11
LEU A 107
VAL A  43
VAL A 100
 None
 1.16A 3u9fH-1mz5A:
0.0
3u9fI-1mz5A:
0.0		 3u9fH-1mz5A:
17.19
3u9fI-1mz5A:
17.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nlf REGULATORY PROTEIN
REPA

(Escherichia
coli) 		PF13481
(AAA_25) 		5 SER A 210
PHE A 236
LEU A 136
VAL A  71
VAL A  23
 None
 1.18A 3u9fH-1nlfA:
0.1
3u9fI-1nlfA:
0.0		 3u9fH-1nlfA:
21.26
3u9fI-1nlfA:
21.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pd5 CHLORAMPHENICOL
ACETYLTRANSFERASE

(Escherichia
coli) 		PF00302
(CAT) 		9 THR A  93
SER A 104
TYR A 133
PHE A 134
SER A 146
LEU A 158
VAL A 160
PHE A 166
VAL A 170
 None
 0.69A 3u9fH-1pd5A:
34.3
3u9fI-1pd5A:
34.4		 3u9fH-1pd5A:
100.00
3u9fI-1pd5A:
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.
1pk6 COMPLEMENT C1Q
SUBCOMPONENT, A
CHAIN PRECURSOR

(Homo sapiens) 		PF00386
(C1q) 		5 SER A 145
LEU A 151
VAL A 195
PHE A 111
VAL A 143
 None
 1.00A 3u9fH-1pk6A:
undetectable
3u9fI-1pk6A:
undetectable		 3u9fH-1pk6A:
18.54
3u9fI-1pk6A:
18.54
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.
1pk8 RAT SYNAPSIN I

(Rattus
norvegicus) 		PF02078
(Synapsin)
PF02750
(Synapsin_C) 		5 SER A 390
SER A 212
LEU A 116
VAL A 143
VAL A 410
 None
 1.34A 3u9fH-1pk8A:
undetectable
3u9fI-1pk8A:
undetectable		 3u9fH-1pk8A:
19.66
3u9fI-1pk8A:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pk8 RAT SYNAPSIN I

(Rattus
norvegicus) 		PF02078
(Synapsin)
PF02750
(Synapsin_C) 		5 SER A 390
SER A 212
VAL A 143
PHE A 130
VAL A 410
 None
 1.42A 3u9fH-1pk8A:
undetectable
3u9fI-1pk8A:
undetectable		 3u9fH-1pk8A:
19.66
3u9fI-1pk8A:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1snz ALDOSE 1-EPIMERASE

(Homo sapiens) 		PF01263
(Aldose_epim) 		5 PHE A 256
SER A 340
LEU A 181
PHE A 304
HIS A 261
 None
 1.40A 3u9fH-1snzA:
undetectable
3u9fI-1snzA:
undetectable		 3u9fH-1snzA:
21.31
3u9fI-1snzA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1snz ALDOSE 1-EPIMERASE

(Homo sapiens) 		PF01263
(Aldose_epim) 		5 THR A 308
LEU A 157
VAL A  31
VAL A 159
PHE A 179
 None
 1.23A 3u9fH-1snzA:
undetectable
3u9fI-1snzA:
undetectable		 3u9fH-1snzA:
21.31
3u9fI-1snzA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sxl SEX-LETHAL PROTEIN
PROTEIN

(Drosophila
melanogaster) 		PF00076
(RRM_1) 		5 SER A  84
LEU A  87
VAL A  60
PHE A  34
VAL A  78
 None
 1.45A 3u9fH-1sxlA:
undetectable
3u9fI-1sxlA:
undetectable		 3u9fH-1sxlA:
17.94
3u9fI-1sxlA:
17.94
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.
1y6n INTERLEUKIN-10
RECEPTOR ALPHA CHAIN

(Homo sapiens) 		PF01108
(Tissue_fac)
PF09294
(Interfer-bind) 		5 THR R  57
SER R  59
LEU R  62
VAL R  65
VAL R  38
 None
 1.40A 3u9fH-1y6nR:
undetectable
3u9fI-1y6nR:
undetectable		 3u9fH-1y6nR:
20.93
3u9fI-1y6nR:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a1x PHYTANOYL-COA
DIOXYGENASE

(Homo sapiens) 		PF05721
(PhyH) 		5 PHE A  81
LEU A 140
VAL A 143
PHE A 282
VAL A 331
 None
 1.38A 3u9fH-2a1xA:
undetectable
3u9fI-2a1xA:
undetectable		 3u9fH-2a1xA:
20.39
3u9fI-2a1xA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ag8 PYRROLINE-5-CARBOXYL
ATE REDUCTASE

(Neisseria
meningitidis) 		PF03807
(F420_oxidored)
PF14748
(P5CR_dimer) 		5 THR A 148
LEU A  19
VAL A   3
PHE A   5
VAL A  15
 None
 1.33A 3u9fH-2ag8A:
undetectable
3u9fI-2ag8A:
undetectable		 3u9fH-2ag8A:
18.98
3u9fI-2ag8A:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ap1 PUTATIVE REGULATOR
PROTEIN

(Salmonella
enterica) 		PF00480
(ROK) 		5 TYR A  36
LEU A  96
VAL A  47
VAL A 100
CYH A  44
 None
 1.29A 3u9fH-2ap1A:
undetectable
3u9fI-2ap1A:
undetectable		 3u9fH-2ap1A:
20.92
3u9fI-2ap1A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d6l LECTIN, GALACTOSE
BINDING, SOLUBLE 9

(Mus musculus) 		PF00337
(Gal-bind_lectin) 		5 LEU X  33
VAL X  46
PHE X  48
VAL X  31
PHE X  17
 None
 1.13A 3u9fH-2d6lX:
undetectable
3u9fI-2d6lX:
undetectable		 3u9fH-2d6lX:
17.05
3u9fI-2d6lX:
17.05
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.
2e5o ACTIVATING SIGNAL
COINTEGRATOR 1

(Homo sapiens) 		PF04266
(ASCH) 		5 SER A 108
LEU A  20
VAL A  84
VAL A  12
CYH A 114
 None
 1.44A 3u9fH-2e5oA:
undetectable
3u9fI-2e5oA:
undetectable		 3u9fH-2e5oA:
17.73
3u9fI-2e5oA:
17.73
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.
2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF01661
(Macro) 		5 TYR A 114
PHE A 117
LEU A 161
VAL A 165
VAL A 156
 None
 1.10A 3u9fH-2favA:
undetectable
3u9fI-2favA:
undetectable		 3u9fH-2favA:
22.55
3u9fI-2favA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fg5 RAS-RELATED PROTEIN
RAB-31

(Homo sapiens) 		PF00071
(Ras) 		5 SER A  41
LEU A  10
VAL A  82
PHE A 159
VAL A  22
 None
 1.37A 3u9fH-2fg5A:
undetectable
3u9fI-2fg5A:
undetectable		 3u9fH-2fg5A:
17.33
3u9fI-2fg5A:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gs5 CONSERVED
HYPOTHETICAL PROTEIN

(Corynebacterium
diphtheriae) 		PF02622
(DUF179) 		5 THR A  94
LEU A  38
VAL A  50
PHE A 135
VAL A 165
 None
 1.21A 3u9fH-2gs5A:
undetectable
3u9fI-2gs5A:
undetectable		 3u9fH-2gs5A:
18.45
3u9fI-2gs5A:
18.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lzj UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME 1

(Mus musculus) 		PF16190
(E1_FCCH) 		5 THR A 244
VAL A 221
PHE A 250
VAL A 248
CYH A 234
 None
 1.31A 3u9fH-2lzjA:
undetectable
3u9fI-2lzjA:
undetectable		 3u9fH-2lzjA:
16.91
3u9fI-2lzjA:
16.91
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.
2p9n ACTIN-RELATED
PROTEIN 2/3 COMPLEX
SUBUNIT 1B

(Bos taurus) 		PF00400
(WD40) 		5 LEU C  93
VAL C 113
PHE C 111
VAL C  91
HIS C 136
 None
 1.25A 3u9fH-2p9nC:
undetectable
3u9fI-2p9nC:
undetectable		 3u9fH-2p9nC:
21.68
3u9fI-2p9nC:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qvp UNCHARACTERIZED
PROTEIN

(Shewanella
amazonensis) 		PF04952
(AstE_AspA) 		5 SER A 235
SER A 160
LEU A 104
VAL A 107
PHE A  73
 None
 1.34A 3u9fH-2qvpA:
undetectable
3u9fI-2qvpA:
undetectable		 3u9fH-2qvpA:
20.70
3u9fI-2qvpA:
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.
2vn7 GLUCOAMYLASE

(Trichoderma
reesei) 		PF00686
(CBM_20)
PF00723
(Glyco_hydro_15) 		5 SER A 496
LEU A 522
VAL A 515
PHE A 501
VAL A 557
 None
 1.18A 3u9fH-2vn7A:
undetectable
3u9fI-2vn7A:
undetectable		 3u9fH-2vn7A:
14.50
3u9fI-2vn7A:
14.50
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.
2x3h K5 LYASE

(Escherichia
virus K1-5) 		no annotation 5 SER A  66
LEU A 104
VAL A 136
PHE A 138
VAL A 123
 None
 1.08A 3u9fH-2x3hA:
undetectable
3u9fI-2x3hA:
undetectable		 3u9fH-2x3hA:
16.33
3u9fI-2x3hA:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yev CYTOCHROME C OXIDASE
SUBUNIT 2

(Thermus
thermophilus) 		PF00034
(Cytochrom_C)
PF00116
(COX2)
PF02790
(COX2_TM) 		5 THR B 273
SER B 274
VAL B 121
PHE B 164
VAL B 212
 None
 1.38A 3u9fH-2yevB:
undetectable
3u9fI-2yevB:
undetectable		 3u9fH-2yevB:
20.23
3u9fI-2yevB:
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.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 THR A  54
SER A 223
VAL A 303
PHE A 352
CYH A 406
 None
None
FAD  A 600 ( 4.7A)
HRM  A 700 (-4.3A)
FAD  A 600 (-1.6A)
 1.45A 3u9fH-2z5xA:
undetectable
3u9fI-2z5xA:
undetectable		 3u9fH-2z5xA:
16.18
3u9fI-2z5xA:
16.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zzg ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		5 LEU A 214
VAL A 167
VAL A 204
PHE A  70
HIS A 150
 None
 1.42A 3u9fH-2zzgA:
undetectable
3u9fI-2zzgA:
undetectable		 3u9fH-2zzgA:
14.25
3u9fI-2zzgA:
14.25
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.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		5 SER A 218
LEU A 225
VAL A 228
PHE A 112
VAL A 165
 None
 1.41A 3u9fH-3a2qA:
undetectable
3u9fI-3a2qA:
undetectable		 3u9fH-3a2qA:
17.65
3u9fI-3a2qA:
17.65
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.
3aqc COMPONENT A OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE
COMPONENT B OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE

(Micrococcus
luteus;
Micrococcus
luteus) 		no annotation
PF00348
(polyprenyl_synt) 		5 PHE B 147
SER A  53
LEU B 116
VAL B  76
HIS B  83
 None
None
2DE  B 329 ( 4.6A)
2DE  B 329 ( 4.5A)
2DE  B 329 ( 4.5A)
 1.16A 3u9fH-3aqcB:
undetectable
3u9fI-3aqcB:
undetectable		 3u9fH-3aqcB:
19.38
3u9fI-3aqcB:
19.38
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.
3be7 ZN-DEPENDENT
ARGININE
CARBOXYPEPTIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 THR A 349
SER A 345
SER A  61
VAL A 268
PHE A 319
 None
 1.46A 3u9fH-3be7A:
undetectable
3u9fI-3be7A:
undetectable		 3u9fH-3be7A:
19.02
3u9fI-3be7A:
19.02
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.
3cwv DNA GYRASE, B
SUBUNIT, TRUNCATED

(Myxococcus
xanthus) 		PF00204
(DNA_gyraseB) 		5 SER A 104
PHE A 156
SER A  99
VAL A  53
CYH A  67
 None
 1.38A 3u9fH-3cwvA:
undetectable
3u9fI-3cwvA:
undetectable		 3u9fH-3cwvA:
17.98
3u9fI-3cwvA:
17.98
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.
3dqq PUTATIVE TRNA
SYNTHASE

(Salmonella
enterica) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 THR A 318
SER A 317
VAL A 254
VAL A 267
PHE A 341
 None
 1.06A 3u9fH-3dqqA:
undetectable
3u9fI-3dqqA:
undetectable		 3u9fH-3dqqA:
19.33
3u9fI-3dqqA:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e77 PHOSPHOSERINE
AMINOTRANSFERASE

(Homo sapiens) 		PF00266
(Aminotran_5) 		5 SER A 238
LEU A 255
VAL A 202
PHE A 181
VAL A  60
 None
 1.11A 3u9fH-3e77A:
1.8
3u9fI-3e77A:
1.9		 3u9fH-3e77A:
18.26
3u9fI-3e77A:
18.26
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.
3etc AMP-BINDING PROTEIN

(Methanosarcina
acetivorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PHE A 280
LEU A 346
VAL A 325
VAL A 334
PHE A 297
 None
 1.32A 3u9fH-3etcA:
undetectable
3u9fI-3etcA:
undetectable		 3u9fH-3etcA:
17.38
3u9fI-3etcA:
17.38
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.
3g0i EPOXIDE HYDROLASE

(Aspergillus
niger) 		PF06441
(EHN) 		5 TYR A 251
LEU A 215
PHE A 196
PHE A 244
CYH A 350
 VPR  A   1 (-4.2A)
VPR  A   1 ( 4.4A)
VPR  A   1 (-4.3A)
VPR  A   1 ( 4.7A)
VPR  A   1 ( 4.4A)
 1.41A 3u9fH-3g0iA:
undetectable
3u9fI-3g0iA:
undetectable		 3u9fH-3g0iA:
19.89
3u9fI-3g0iA:
19.89
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.
3l6n METALLO-BETA-LACTAMA
SE

(Chryseobacterium
indologenes) 		PF00753
(Lactamase_B) 		5 LEU A  64
VAL A  67
PHE A 108
VAL A  89
PHE A  25
 None
 1.23A 3u9fH-3l6nA:
undetectable
3u9fI-3l6nA:
undetectable		 3u9fH-3l6nA:
20.43
3u9fI-3l6nA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lua RESPONSE REGULATOR
RECEIVER PROTEIN

(Ruminiclostridium
thermocellum) 		PF00072
(Response_reg) 		5 SER A 103
LEU A  51
VAL A   5
PHE A  22
VAL A 119
 None
 1.40A 3u9fH-3luaA:
undetectable
3u9fI-3luaA:
undetectable		 3u9fH-3luaA:
17.81
3u9fI-3luaA:
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.
3mc2 INHIBITOR OF
CARBONIC ANHYDRASE

(Mus musculus) 		PF00405
(Transferrin) 		5 THR A 375
SER A 592
LEU A 604
PHE A 633
VAL A 590
 None
 1.04A 3u9fH-3mc2A:
undetectable
3u9fI-3mc2A:
undetectable		 3u9fH-3mc2A:
14.91
3u9fI-3mc2A:
14.91
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.
3p1i EPHRIN TYPE-B
RECEPTOR 3

(Homo sapiens) 		PF01404
(Ephrin_lbd) 		5 THR A  45
LEU A 132
VAL A 157
PHE A 181
VAL A 107
 None
 1.43A 3u9fH-3p1iA:
undetectable
3u9fI-3p1iA:
undetectable		 3u9fH-3p1iA:
17.94
3u9fI-3p1iA:
17.94
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.
3pl5 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
mutans) 		PF02645
(DegV) 		5 THR A  62
PHE A  89
LEU A 171
PHE A 163
VAL A 271
 PLM  A 702 (-3.7A)
PLM  A 702 ( 4.9A)
None
PLM  A 702 (-3.9A)
None
 1.42A 3u9fH-3pl5A:
undetectable
3u9fI-3pl5A:
undetectable		 3u9fH-3pl5A:
18.95
3u9fI-3pl5A:
18.95
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.
3qnt NIEMANN-PICK C1-LIKE
PROTEIN 1

(Homo sapiens) 		PF16414
(NPC1_N) 		5 TYR A 156
PHE A  35
SER A  53
LEU A 103
VAL A 121
 None
 1.22A 3u9fH-3qntA:
undetectable
3u9fI-3qntA:
undetectable		 3u9fH-3qntA:
20.42
3u9fI-3qntA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r2j ALPHA/BETA-HYDROLASE
-LIKE PROTEIN

(Leishmania
infantum) 		PF00857
(Isochorismatase) 		5 THR A 183
LEU A 211
VAL A  21
PHE A  65
VAL A  59
 None
 1.14A 3u9fH-3r2jA:
undetectable
3u9fI-3r2jA:
undetectable		 3u9fH-3r2jA:
20.00
3u9fI-3r2jA:
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.
3r4v PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
phage 201phi2-1) 		PF00091
(Tubulin) 		5 SER A 228
TYR A 247
LEU A 178
VAL A 179
PHE A  83
 None
 1.15A 3u9fH-3r4vA:
undetectable
3u9fI-3r4vA:
undetectable		 3u9fH-3r4vA:
18.99
3u9fI-3r4vA:
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.
3rbl AROMATIC L-AMINO
ACID DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		5 SER A 211
SER A 250
VAL A 445
VAL A 402
CYH A 438
 None
 0.96A 3u9fH-3rblA:
undetectable
3u9fI-3rblA:
undetectable		 3u9fH-3rblA:
18.50
3u9fI-3rblA:
18.50
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT J
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N

(Escherichia
coli;
Escherichia
coli) 		no annotation
no annotation 		5 SER N  84
PHE N 241
SER N  41
VAL J 153
VAL N  21
 None
 1.36A 3u9fH-3rkoN:
undetectable
3u9fI-3rkoN:
undetectable		 3u9fH-3rkoN:
20.04
3u9fI-3rkoN:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sgg HYPOTHETICAL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF14323
(GxGYxYP_C)
PF16216
(GxGYxYP_N) 		5 LEU A 534
VAL A 540
PHE A 327
VAL A 530
HIS A 323
 None
 1.38A 3u9fH-3sggA:
undetectable
3u9fI-3sggA:
undetectable		 3u9fH-3sggA:
18.24
3u9fI-3sggA:
18.24
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.
3shw TIGHT JUNCTION
PROTEIN ZO-1

(Homo sapiens) 		PF00595
(PDZ)
PF00625
(Guanylate_kin)
PF07653
(SH3_2) 		5 LEU A 490
VAL A 496
PHE A 427
VAL A 433
PHE A 475
 None
 1.36A 3u9fH-3shwA:
undetectable
3u9fI-3shwA:
undetectable		 3u9fH-3shwA:
15.48
3u9fI-3shwA:
15.48
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.
3tkk PREDICTED
ACETAMIDASE/FORMAMID
ASE

(Caldanaerobacter
subterraneus) 		PF03069
(FmdA_AmdA) 		5 PHE A  14
LEU A 205
VAL A 207
VAL A  32
PHE A 169
 None
 1.09A 3u9fH-3tkkA:
undetectable
3u9fI-3tkkA:
undetectable		 3u9fH-3tkkA:
20.66
3u9fI-3tkkA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u9w LEUKOTRIENE A-4
HYDROLASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 TYR A1156
SER A1133
LEU A1034
PHE A1106
CYH A1025
 None
 1.37A 3u9fH-3u9wA:
undetectable
3u9fI-3u9wA:
undetectable		 3u9fH-3u9wA:
14.48
3u9fI-3u9wA:
14.48
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.
3vvj OVALBUMIN

(Dromaius
novaehollandiae) 		PF00079
(Serpin) 		5 THR A 344
SER A 345
PHE A 161
SER A  31
VAL A 297
 None
 1.42A 3u9fH-3vvjA:
undetectable
3u9fI-3vvjA:
undetectable		 3u9fH-3vvjA:
17.09
3u9fI-3vvjA:
17.09
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.
3wv6 GALECTIN-9

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		5 LEU A  25
VAL A 105
PHE A 110
VAL A 131
PHE A 147
 None
 1.46A 3u9fH-3wv6A:
undetectable
3u9fI-3wv6A:
undetectable		 3u9fH-3wv6A:
20.20
3u9fI-3wv6A:
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.
4c2f CARBOXY-TERMINAL
PROCESSING PROTEASE
CTPB

(Bacillus
subtilis) 		PF01471
(PG_binding_1)
PF03572
(Peptidase_S41)
PF13180
(PDZ_2) 		5 THR A 221
SER A 220
PHE A 203
SER A 223
PHE A 131
 None
 1.28A 3u9fH-4c2fA:
undetectable
3u9fI-4c2fA:
undetectable		 3u9fH-4c2fA:
20.19
3u9fI-4c2fA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gel MITOCHONDRIAL
CARDIOLIPIN
HYDROLASE

(Drosophila
melanogaster) 		PF13091
(PLDc_2) 		5 SER A 122
LEU A 212
VAL A 205
VAL A  93
PHE A 114
 None
 1.14A 3u9fH-4gelA:
undetectable
3u9fI-4gelA:
undetectable		 3u9fH-4gelA:
19.03
3u9fI-4gelA:
19.03
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 14

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M) 		5 SER N 262
TYR N 288
LEU N 299
VAL N 298
PHE N 326
 None
 1.35A 3u9fH-4heaN:
undetectable
3u9fI-4heaN:
undetectable		 3u9fH-4heaN:
16.36
3u9fI-4heaN:
16.36
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.
4ihb DYSFERLIN

(Homo sapiens) 		PF00168
(C2) 		5 THR A 124
LEU A  88
VAL A  86
PHE A 101
VAL A  91
 None
 1.40A 3u9fH-4ihbA:
undetectable
3u9fI-4ihbA:
undetectable		 3u9fH-4ihbA:
19.91
3u9fI-4ihbA:
19.91
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.
4itx CYSTATHIONINE
BETA-LYASE METC

(Escherichia
coli) 		PF01053
(Cys_Met_Meta_PP) 		5 TYR A 327
PHE A 331
VAL A 286
PHE A 311
VAL A 273
 None
 1.31A 3u9fH-4itxA:
2.4
3u9fI-4itxA:
2.5		 3u9fH-4itxA:
22.00
3u9fI-4itxA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j0m SERINE/THREONINE-PRO
TEIN KINASE
BRI1-LIKE 1

(Arabidopsis
thaliana) 		PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 THR A  92
SER A  45
PHE A  41
SER A 116
VAL A 146
 None
 1.08A 3u9fH-4j0mA:
undetectable
3u9fI-4j0mA:
undetectable		 3u9fH-4j0mA:
12.64
3u9fI-4j0mA:
12.64
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.
4j2h SHORT CHAIN ALCOHOL
DEHYDROGENASE-RELATE
D DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 TYR A 150
LEU A 232
VAL A 142
VAL A 228
HIS A 243
 EDO  A 302 ( 4.2A)
None
None
None
EDO  A 304 ( 3.9A)
 1.15A 3u9fH-4j2hA:
undetectable
3u9fI-4j2hA:
undetectable		 3u9fH-4j2hA:
23.36
3u9fI-4j2hA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jgp SPORULATION KINASE D

(Bacillus
subtilis) 		PF02743
(dCache_1) 		5 THR A 120
SER A 118
LEU A 109
PHE A 133
VAL A 177
 None
 1.25A 3u9fH-4jgpA:
undetectable
3u9fI-4jgpA:
undetectable		 3u9fH-4jgpA:
20.23
3u9fI-4jgpA:
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.
4jhp X-LINKED RETINITIS
PIGMENTOSA GTPASE
REGULATOR

(Homo sapiens) 		PF00415
(RCC1) 		5 LEU C 211
VAL C 238
PHE C 266
VAL C 248
PHE C 214
 None
 1.32A 3u9fH-4jhpC:
undetectable
3u9fI-4jhpC:
undetectable		 3u9fH-4jhpC:
20.20
3u9fI-4jhpC:
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.
4jm0 PROTEIN UL141

(Human
betaherpesvirus
5) 		PF16758
(UL141) 		5 THR A  50
LEU A 145
VAL A  77
PHE A 127
VAL A  69
 None
 1.47A 3u9fH-4jm0A:
undetectable
3u9fI-4jm0A:
undetectable		 3u9fH-4jm0A:
21.35
3u9fI-4jm0A:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mfi SN-GLYCEROL-3-PHOSPH
ATE ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN USPB

(Mycobacterium
tuberculosis) 		PF13416
(SBP_bac_8) 		5 THR A 343
SER A  49
LEU A 309
VAL A  97
PHE A 326
 None
 1.31A 3u9fH-4mfiA:
undetectable
3u9fI-4mfiA:
undetectable		 3u9fH-4mfiA:
18.92
3u9fI-4mfiA:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mj7 RRNA-PROCESSING
PROTEIN UTP23

(Saccharomyces
cerevisiae) 		PF04900
(Fcf1) 		5 THR A  52
VAL A  35
PHE A  84
PHE A  43
CYH A  38
 None
 1.13A 3u9fH-4mj7A:
undetectable
3u9fI-4mj7A:
undetectable		 3u9fH-4mj7A:
18.94
3u9fI-4mj7A:
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.
4nlb RIBOSOMAL RNA
PROCESSING PROTEIN 6

(Trypanosoma
brucei) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		5 THR A 398
PHE A 323
LEU A 258
VAL A 259
VAL A 298
 None
 1.15A 3u9fH-4nlbA:
undetectable
3u9fI-4nlbA:
undetectable		 3u9fH-4nlbA:
21.49
3u9fI-4nlbA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o2w E3 UBIQUITIN-PROTEIN
LIGASE HERC1

(Homo sapiens) 		PF00415
(RCC1) 		5 LEU A4155
VAL A4180
PHE A4211
VAL A4191
PHE A4158
 None
 1.22A 3u9fH-4o2wA:
undetectable
3u9fI-4o2wA:
undetectable		 3u9fH-4o2wA:
17.04
3u9fI-4o2wA:
17.04
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.
4od7 THIOL:DISULFIDE
INTERCHANGE PROTEIN

(Proteus
mirabilis) 		PF01323
(DSBA) 		5 SER A 127
LEU A  81
VAL A 116
PHE A 111
VAL A  77
 None
 1.41A 3u9fH-4od7A:
undetectable
3u9fI-4od7A:
undetectable		 3u9fH-4od7A:
24.44
3u9fI-4od7A:
24.44
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.
4opu CONSERVED ARCHAEAL
PROTEIN

(Sulfolobus
acidocaldarius) 		PF01266
(DAO) 		5 THR A 157
SER A 162
LEU A   9
VAL A 148
VAL A  34
 FDA  A 501 (-3.8A)
FDA  A 501 (-2.9A)
None
None
None
 1.26A 3u9fH-4opuA:
undetectable
3u9fI-4opuA:
undetectable		 3u9fH-4opuA:
17.65
3u9fI-4opuA:
17.65
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.
4q73 PROLINE
DEHYDROGENASE

(Bradyrhizobium
diazoefficiens) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 THR A 910
LEU A 916
VAL A 918
VAL A 933
PHE A 799
 None
 1.33A 3u9fH-4q73A:
undetectable
3u9fI-4q73A:
undetectable		 3u9fH-4q73A:
11.97
3u9fI-4q73A:
11.97
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.
4ug4 CHOLINE SULFATASE

(Sinorhizobium
meliloti) 		PF00884
(Sulfatase)
PF12411
(Choline_sulf_C) 		5 THR A  70
SER A  68
PHE A 454
SER A  60
PHE A 312
 None
 1.45A 3u9fH-4ug4A:
undetectable
3u9fI-4ug4A:
undetectable		 3u9fH-4ug4A:
16.54
3u9fI-4ug4A:
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.
4x28 ACYL-COA
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		no annotation 5 LEU D  43
VAL D  20
VAL D  85
CYH D  24
HIS D  28
 None
 1.39A 3u9fH-4x28D:
undetectable
3u9fI-4x28D:
undetectable		 3u9fH-4x28D:
18.57
3u9fI-4x28D:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xcv NADP-DEPENDENT
2-HYDROXYACID
DEHYDROGENASE

(Rhizobium etli) 		PF02826
(2-Hacid_dh_C) 		5 LEU A  51
VAL A   9
PHE A  26
VAL A 296
PHE A  13
 None
 1.38A 3u9fH-4xcvA:
undetectable
3u9fI-4xcvA:
undetectable		 3u9fH-4xcvA:
21.17
3u9fI-4xcvA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xg0 UNCHARACTERIZED
PROTEIN

(Bordetella
bronchiseptica) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 THR A  56
SER A  58
LEU A  85
VAL A 213
VAL A  74
 None
 1.23A 3u9fH-4xg0A:
undetectable
3u9fI-4xg0A:
undetectable		 3u9fH-4xg0A:
18.86
3u9fI-4xg0A:
18.86
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.
4z2a FURIN

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 THR A 367
SER A 293
SER A 370
LEU A 429
VAL A 397
 None
 1.27A 3u9fH-4z2aA:
undetectable
3u9fI-4z2aA:
undetectable		 3u9fH-4z2aA:
17.58
3u9fI-4z2aA:
17.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zxk SIALIDASE A

(Streptococcus
pneumoniae) 		PF02973
(Sialidase) 		5 TYR A 205
LEU A 146
VAL A 267
PHE A 171
VAL A 291
 None
 1.42A 3u9fH-4zxkA:
undetectable
3u9fI-4zxkA:
undetectable		 3u9fH-4zxkA:
21.05
3u9fI-4zxkA:
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.
5dy1 TETR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Corynebacterium
glutamicum) 		PF00440
(TetR_N) 		5 THR A  79
SER A  78
LEU A 107
VAL A 166
PHE A 160
 None
 1.39A 3u9fH-5dy1A:
undetectable
3u9fI-5dy1A:
undetectable		 3u9fH-5dy1A:
20.82
3u9fI-5dy1A:
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.
5eur UNCHARACTERIZED
PROTEIN

(Shigella
flexneri) 		no annotation 5 THR A  43
SER A  42
LEU A   8
VAL A  21
PHE A  31
 None
 1.06A 3u9fH-5eurA:
undetectable
3u9fI-5eurA:
undetectable		 3u9fH-5eurA:
19.63
3u9fI-5eurA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gm2 O-METHYLRANSFERASE

(Streptomyces
blastmyceticus) 		PF08241
(Methyltransf_11) 		5 THR A  72
LEU A 284
VAL A 215
PHE A 211
VAL A 179
 None
 1.47A 3u9fH-5gm2A:
undetectable
3u9fI-5gm2A:
undetectable		 3u9fH-5gm2A:
20.32
3u9fI-5gm2A:
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.
5h68 CHROMOSOME PARTITION
PROTEIN SMC

(Geobacillus
stearothermophilus) 		PF02463
(SMC_N) 		5 LEU A1173
VAL A  18
PHE A  14
VAL A1163
PHE A  22
 None
 1.19A 3u9fH-5h68A:
undetectable
3u9fI-5h68A:
undetectable		 3u9fH-5h68A:
18.48
3u9fI-5h68A:
18.48
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.
5hkj COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
A,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
C,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
B

(Homo sapiens) 		PF00386
(C1q) 		5 SER A  58
LEU A  64
VAL A 108
PHE A  24
VAL A  56
 None
 1.00A 3u9fH-5hkjA:
undetectable
3u9fI-5hkjA:
undetectable		 3u9fH-5hkjA:
20.76
3u9fI-5hkjA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nuv AUTOPHAGY-RELATED
PROTEIN 16-1

(Homo sapiens) 		PF00400
(WD40) 		5 SER A 331
SER A 586
LEU A 603
PHE A 318
VAL A 593
 None
 1.29A 3u9fH-5nuvA:
undetectable
3u9fI-5nuvA:
undetectable		 3u9fH-5nuvA:
19.68
3u9fI-5nuvA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o4m HCGC

(Methanococcus
maripaludis) 		PF06690
(DUF1188) 		5 THR A 113
LEU A 131
VAL A 156
VAL A 109
CYH A 155
 SAH  A 301 ( 4.1A)
None
None
None
None
 1.26A 3u9fH-5o4mA:
undetectable
3u9fI-5o4mA:
undetectable		 3u9fH-5o4mA:
22.26
3u9fI-5o4mA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o6b ATP-DEPENDENT DNA
HELICASE PIF1

(Saccharomyces
cerevisiae) 		no annotation 5 LEU A 696
VAL A 673
PHE A 661
VAL A 521
PHE A 542
 None
 1.40A 3u9fH-5o6bA:
undetectable
3u9fI-5o6bA:
undetectable		 3u9fH-5o6bA:
undetectable
3u9fI-5o6bA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ola TRANSCRIPTION
ELONGATION FACTOR,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 THR A 332
LEU A 344
VAL A 191
PHE A 317
VAL A 300
 None
 1.43A 3u9fH-5olaA:
undetectable
3u9fI-5olaA:
undetectable		 3u9fH-5olaA:
18.73
3u9fI-5olaA:
18.73
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.
5olt -

(-) 		no annotation 5 THR A 222
SER A 289
LEU A 285
VAL A 440
PHE A 271
 None
 1.17A 3u9fH-5oltA:
undetectable
3u9fI-5oltA:
undetectable		 3u9fH-5oltA:
undetectable
3u9fI-5oltA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ti1 FUMARYLACETOACETATE
HYDROLASE

(Paraburkholderia
xenovorans) 		PF01557
(FAA_hydrolase)
PF09298
(FAA_hydrolase_N) 		5 SER A  79
LEU A 104
VAL A  51
PHE A  36
VAL A 100
 None
 1.14A 3u9fH-5ti1A:
undetectable
3u9fI-5ti1A:
undetectable		 3u9fH-5ti1A:
18.45
3u9fI-5ti1A:
18.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5umw GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE

(Streptomyces
sp. CB03234) 		no annotation 5 PHE A 120
SER A 124
LEU A  56
VAL A  44
VAL A  10
 None
 1.35A 3u9fH-5umwA:
undetectable
3u9fI-5umwA:
undetectable		 3u9fH-5umwA:
undetectable
3u9fI-5umwA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uv4 PUTATIVE
LEUCINE-RICH REPEAT
PROTEIN KINASE
FAMILY PROTEIN

(Zea mays) 		PF07714
(Pkinase_Tyr) 		5 THR A 787
SER A 836
SER A 775
LEU A 791
PHE A 802
 None
None
ANP  A1101 (-2.6A)
None
None
 1.42A 3u9fH-5uv4A:
undetectable
3u9fI-5uv4A:
undetectable		 3u9fH-5uv4A:
24.39
3u9fI-5uv4A:
24.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5veu CYTOCHROME P450 3A5

(Homo sapiens) 		no annotation 5 SER A 180
LEU A 160
VAL A 492
PHE A 464
VAL A 458
 None
 1.41A 3u9fH-5veuA:
undetectable
3u9fI-5veuA:
undetectable		 3u9fH-5veuA:
17.43
3u9fI-5veuA:
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.
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 PHE A 115
SER A 168
LEU A 151
VAL A 153
CYH A 125
 None
 1.22A 3u9fH-5x49A:
undetectable
3u9fI-5x49A:
undetectable		 3u9fH-5x49A:
16.92
3u9fI-5x49A:
16.92
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.
5x6x MRNA CAPPING ENZYME
P5

(Rice dwarf
virus) 		no annotation 5 THR C 790
SER C 562
LEU C 500
VAL C 499
PHE C 515
 None
 1.43A 3u9fH-5x6xC:
undetectable
3u9fI-5x6xC:
undetectable		 3u9fH-5x6xC:
undetectable
3u9fI-5x6xC:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xyb -

(-) 		no annotation 5 SER A 358
PHE A 167
SER A 351
LEU A 366
PHE A 276
 None
 1.32A 3u9fH-5xybA:
undetectable
3u9fI-5xybA:
undetectable		 3u9fH-5xybA:
undetectable
3u9fI-5xybA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c43 GAMMA-AMINOBUTYRALDE
HYDE DEHYDROGENASE

(Salmonella
enterica) 		no annotation 5 SER A 409
LEU A 300
VAL A 304
PHE A 273
VAL A 384
 None
 1.47A 3u9fH-6c43A:
undetectable
3u9fI-6c43A:
undetectable		 3u9fH-6c43A:
undetectable
3u9fI-6c43A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c9d SERINE/THREONINE-PRO
TEIN KINASE
MARK1,SERINE/THREONI
NE-PROTEIN KINASE
MARK1

(Homo sapiens) 		no annotation 5 THR A 778
SER A 779
PHE A 145
LEU A 265
VAL A 269
 None
 1.28A 3u9fH-6c9dA:
undetectable
3u9fI-6c9dA:
undetectable		 3u9fH-6c9dA:
undetectable
3u9fI-6c9dA:
undetectable