SIMILAR PATTERNS OF AMINO ACIDS FOR 3U9F_B_CLMB221_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
 1.26A 3u9fB-1auxA:
0.0
3u9fC-1auxA:
0.0		 3u9fB-1auxA:
19.29
3u9fC-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
 1.30A 3u9fB-1auxA:
0.0
3u9fC-1auxA:
0.0		 3u9fB-1auxA:
19.29
3u9fC-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.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)

(Lactobacillus
sp. 30A) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		5 SER A 388
PHE A 392
LEU A 284
VAL A 286
VAL A 210
 None
 1.29A 3u9fB-1c4kA:
3.3
3u9fC-1c4kA:
3.1		 3u9fB-1c4kA:
13.95
3u9fC-1c4kA:
13.95
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.
1cns CHITINASE

(Hordeum vulgare) 		PF00182
(Glyco_hydro_19) 		5 SER A  65
TYR A  84
VAL A   2
PHE A  44
PHE A  11
 None
 1.39A 3u9fB-1cnsA:
undetectable
3u9fC-1cnsA:
undetectable		 3u9fB-1cnsA:
19.92
3u9fC-1cnsA:
19.92
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.
1dxj CLASS II CHITINASE

(Canavalia
ensiformis) 		PF00182
(Glyco_hydro_19) 		5 SER A  66
TYR A  85
VAL A   3
PHE A  45
PHE A  12
 None
 1.44A 3u9fB-1dxjA:
undetectable
3u9fC-1dxjA:
undetectable		 3u9fB-1dxjA:
21.13
3u9fC-1dxjA:
21.13
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.
1fcp PROTEIN (FERRIC
HYDROXAMATE UPTAKE
RECEPTOR)

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 SER A  33
SER A  51
LEU A  70
VAL A  66
VAL A  53
 None
 1.40A 3u9fB-1fcpA:
0.0
3u9fC-1fcpA:
0.0		 3u9fB-1fcpA:
15.45
3u9fC-1fcpA:
15.45
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.
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
 1.35A 3u9fB-1hdfA:
undetectable
3u9fC-1hdfA:
0.0		 3u9fB-1hdfA:
18.69
3u9fC-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.
1jg3 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF01135
(PCMT) 		5 SER A 102
LEU A  84
VAL A  39
PHE A  43
VAL A  80
 None
 1.34A 3u9fB-1jg3A:
0.0
3u9fC-1jg3A:
0.0		 3u9fB-1jg3A:
20.80
3u9fC-1jg3A:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.15A 3u9fB-1m54A:
0.1
3u9fC-1m54A:
0.1		 3u9fB-1m54A:
19.73
3u9fC-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.
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
 1.17A 3u9fB-1mz5A:
0.0
3u9fC-1mz5A:
0.0		 3u9fB-1mz5A:
17.19
3u9fC-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
 1.27A 3u9fB-1nlfA:
0.0
3u9fC-1nlfA:
0.0		 3u9fB-1nlfA:
21.26
3u9fC-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
 0.59A 3u9fB-1pd5A:
34.4
3u9fC-1pd5A:
34.7		 3u9fB-1pd5A:
100.00
3u9fC-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
 1.01A 3u9fB-1pk6A:
undetectable
3u9fC-1pk6A:
undetectable		 3u9fB-1pk6A:
18.54
3u9fC-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
 1.30A 3u9fB-1pk8A:
undetectable
3u9fC-1pk8A:
undetectable		 3u9fB-1pk8A:
19.66
3u9fC-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
 1.34A 3u9fB-1pk8A:
undetectable
3u9fC-1pk8A:
undetectable		 3u9fB-1pk8A:
19.66
3u9fC-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.
1y6z HEAT SHOCK PROTEIN,
PUTATIVE

(Plasmodium
falciparum) 		PF00183
(HSP90) 		5 SER A  87
PHE A  84
SER A 120
VAL A  39
PHE A  37
 None
 1.44A 3u9fB-1y6zA:
undetectable
3u9fC-1y6zA:
undetectable		 3u9fB-1y6zA:
18.55
3u9fC-1y6zA:
18.55
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.
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
 1.35A 3u9fB-2a1xA:
undetectable
3u9fC-2a1xA:
undetectable		 3u9fB-2a1xA:
20.39
3u9fC-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
 1.42A 3u9fB-2ag8A:
undetectable
3u9fC-2ag8A:
undetectable		 3u9fB-2ag8A:
18.98
3u9fC-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.
2akp ATP-DEPENDENT
MOLECULAR CHAPERONE
HSP82

(Saccharomyces
cerevisiae) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 THR A 171
LEU A 175
VAL A 130
PHE A  30
PHE A 124
 None
 1.44A 3u9fB-2akpA:
undetectable
3u9fC-2akpA:
undetectable		 3u9fB-2akpA:
20.18
3u9fC-2akpA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.32A 3u9fB-2ap1A:
undetectable
3u9fC-2ap1A:
undetectable		 3u9fB-2ap1A:
20.92
3u9fC-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 3u9fB-2d6lX:
undetectable
3u9fC-2d6lX:
undetectable		 3u9fB-2d6lX:
17.05
3u9fC-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.
2dc1 L-ASPARTATE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF01958
(DUF108)
PF03447
(NAD_binding_3) 		5 THR A 101
LEU A  77
VAL A  63
PHE A  85
VAL A 105
 None
 1.13A 3u9fB-2dc1A:
undetectable
3u9fC-2dc1A:
undetectable		 3u9fB-2dc1A:
20.33
3u9fC-2dc1A:
20.33
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.
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
 1.11A 3u9fB-2favA:
undetectable
3u9fC-2favA:
undetectable		 3u9fB-2favA:
22.55
3u9fC-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
 1.39A 3u9fB-2fg5A:
undetectable
3u9fC-2fg5A:
undetectable		 3u9fB-2fg5A:
17.33
3u9fC-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 3u9fB-2gs5A:
undetectable
3u9fC-2gs5A:
undetectable		 3u9fB-2gs5A:
18.45
3u9fC-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.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 SER A 407
PHE A 374
SER A 409
VAL A 360
VAL A 290
 None
 1.44A 3u9fB-2htvA:
undetectable
3u9fC-2htvA:
undetectable		 3u9fB-2htvA:
20.21
3u9fC-2htvA:
20.21
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.
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
 1.27A 3u9fB-2lzjA:
undetectable
3u9fC-2lzjA:
undetectable		 3u9fB-2lzjA:
16.91
3u9fC-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.
2nya PERIPLASMIC NITRATE
REDUCTASE

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 THR A 489
SER A 472
LEU A 485
VAL A  90
PHE A  88
 MGD  A3001 (-3.6A)
None
None
None
None
 1.33A 3u9fB-2nyaA:
undetectable
3u9fC-2nyaA:
undetectable		 3u9fB-2nyaA:
13.29
3u9fC-2nyaA:
13.29
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.
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
 1.30A 3u9fB-2p9nC:
undetectable
3u9fC-2p9nC:
undetectable		 3u9fB-2p9nC:
21.68
3u9fC-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.
2qbu PRECORRIN-2
METHYLTRANSFERASE

(Methanothermobacter
thermautotrophicus) 		PF00590
(TP_methylase) 		5 PHE A 214
LEU A 153
VAL A 165
VAL A 155
PHE A 228
 None
 1.41A 3u9fB-2qbuA:
undetectable
3u9fC-2qbuA:
undetectable		 3u9fB-2qbuA:
20.39
3u9fC-2qbuA:
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.
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
 1.43A 3u9fB-2qvpA:
undetectable
3u9fC-2qvpA:
undetectable		 3u9fB-2qvpA:
20.70
3u9fC-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.
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
 1.37A 3u9fB-2yevB:
undetectable
3u9fC-2yevB:
undetectable		 3u9fB-2yevB:
20.23
3u9fC-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.
2yv5 YJEQ PROTEIN

(Aquifex
aeolicus) 		PF03193
(RsgA_GTPase) 		5 SER A 218
PHE A 214
LEU A 146
VAL A 148
VAL A 114
 None
 1.38A 3u9fB-2yv5A:
undetectable
3u9fC-2yv5A:
undetectable		 3u9fB-2yv5A:
22.58
3u9fC-2yv5A:
22.58
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.
3b3l KETOHEXOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 SER A 242
LEU A 268
VAL A 188
PHE A 190
VAL A 264
 None
 1.41A 3u9fB-3b3lA:
undetectable
3u9fC-3b3lA:
undetectable		 3u9fB-3b3lA:
20.98
3u9fC-3b3lA:
20.98
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.
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
 1.44A 3u9fB-3be7A:
undetectable
3u9fC-3be7A:
undetectable		 3u9fB-3be7A:
19.02
3u9fC-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.
3bgf SPIKE PROTEIN S1

(Severe acute
respiratory
syndrome-related
coronavirus) 		no annotation 5 PHE S 329
LEU S 374
VAL S 369
PHE S 501
PHE S 364
 None
 1.17A 3u9fB-3bgfS:
undetectable
3u9fC-3bgfS:
undetectable		 3u9fB-3bgfS:
21.89
3u9fC-3bgfS:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cc8 PUTATIVE
METHYLTRANSFERASE

(Bacillus cereus) 		PF13489
(Methyltransf_23) 		5 LEU A 105
VAL A 101
PHE A  98
VAL A 111
PHE A 162
 None
 1.33A 3u9fB-3cc8A:
undetectable
3u9fC-3cc8A:
undetectable		 3u9fB-3cc8A:
19.17
3u9fC-3cc8A:
19.17
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.
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
 1.04A 3u9fB-3dqqA:
undetectable
3u9fC-3dqqA:
undetectable		 3u9fB-3dqqA:
19.33
3u9fC-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
 1.08A 3u9fB-3e77A:
undetectable
3u9fC-3e77A:
undetectable		 3u9fB-3e77A:
18.26
3u9fC-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
 1.30A 3u9fB-3etcA:
undetectable
3u9fC-3etcA:
undetectable		 3u9fB-3etcA:
17.38
3u9fC-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)
 1.37A 3u9fB-3g0iA:
undetectable
3u9fC-3g0iA:
undetectable		 3u9fB-3g0iA:
19.89
3u9fC-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.
3gg9 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE
OXIDOREDUCTASE
PROTEIN

(Ralstonia
solanacearum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 THR A 259
SER A 260
LEU A 172
VAL A 195
VAL A 184
 None
GOL  A 364 (-3.6A)
None
None
None
 1.43A 3u9fB-3gg9A:
undetectable
3u9fC-3gg9A:
undetectable		 3u9fB-3gg9A:
20.88
3u9fC-3gg9A:
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.
3gq9 PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		5 SER A 325
SER A 388
LEU A 406
VAL A 408
PHE A 362
 None
 1.42A 3u9fB-3gq9A:
undetectable
3u9fC-3gq9A:
undetectable		 3u9fB-3gq9A:
14.89
3u9fC-3gq9A:
14.89
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.
3k70 EXODEOXYRIBONUCLEASE
V ALPHA CHAIN

(Escherichia
coli) 		PF13538
(UvrD_C_2)
PF13604
(AAA_30) 		5 SER D 303
SER D 170
LEU D 352
PHE D 123
VAL D 168
 None
 1.15A 3u9fB-3k70D:
undetectable
3u9fC-3k70D:
undetectable		 3u9fB-3k70D:
16.14
3u9fC-3k70D:
16.14
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.
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
 1.09A 3u9fB-3mc2A:
undetectable
3u9fC-3mc2A:
undetectable		 3u9fB-3mc2A:
14.91
3u9fC-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.
3mvs CADHERIN-23

(Mus musculus) 		PF00028
(Cadherin) 		5 THR A  23
LEU A  17
VAL A  95
PHE A  82
PHE A  78
 None
 1.29A 3u9fB-3mvsA:
undetectable
3u9fC-3mvsA:
undetectable		 3u9fB-3mvsA:
21.65
3u9fC-3mvsA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nzq BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF02784
(Orn_Arg_deC_N) 		5 TYR A  49
PHE A 563
VAL A 585
VAL A  76
PHE A  92
 None
 1.41A 3u9fB-3nzqA:
undetectable
3u9fC-3nzqA:
undetectable		 3u9fB-3nzqA:
14.41
3u9fC-3nzqA:
14.41
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.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		5 TYR A  55
LEU A 348
VAL A 335
PHE A 169
VAL A 352
 ATP  A 763 (-4.5A)
None
None
None
None
 1.12A 3u9fB-3o8lA:
undetectable
3u9fC-3o8lA:
undetectable		 3u9fB-3o8lA:
15.81
3u9fC-3o8lA:
15.81
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.
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
 1.38A 3u9fB-3p1iA:
undetectable
3u9fC-3p1iA:
undetectable		 3u9fB-3p1iA:
17.94
3u9fC-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.
3qnt NIEMANN-PICK C1-LIKE
PROTEIN 1

(Homo sapiens) 		PF16414
(NPC1_N) 		5 SER A  56
PHE A  35
SER A  53
LEU A 103
VAL A 121
 None
 1.42A 3u9fB-3qntA:
undetectable
3u9fC-3qntA:
undetectable		 3u9fB-3qntA:
20.42
3u9fC-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.
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
 1.18A 3u9fB-3qntA:
undetectable
3u9fC-3qntA:
undetectable		 3u9fB-3qntA:
20.42
3u9fC-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
 1.16A 3u9fB-3r2jA:
undetectable
3u9fC-3r2jA:
undetectable		 3u9fB-3r2jA:
20.00
3u9fC-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
 1.21A 3u9fB-3r4vA:
undetectable
3u9fC-3r4vA:
undetectable		 3u9fB-3r4vA:
18.99
3u9fC-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
 1.06A 3u9fB-3rblA:
undetectable
3u9fC-3rblA:
undetectable		 3u9fB-3rblA:
18.50
3u9fC-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
 1.31A 3u9fB-3rkoN:
undetectable
3u9fC-3rkoN:
undetectable		 3u9fB-3rkoN:
20.04
3u9fC-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.
3sci SPIKE GLYCOPROTEIN

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF09408
(Spike_rec_bind) 		5 PHE E 329
SER E 353
VAL E 369
PHE E 501
PHE E 364
 None
 1.07A 3u9fB-3sciE:
undetectable
3u9fC-3sciE:
undetectable		 3u9fB-3sciE:
20.95
3u9fC-3sciE:
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.
3zph CHALCONE ISOMERASE

(Eubacterium
ramulus) 		no annotation 5 SER A  37
TYR A  48
PHE A  41
PHE A 135
PHE A  50
 None
None
None
GOL  A 301 ( 4.9A)
None
 1.33A 3u9fB-3zphA:
undetectable
3u9fC-3zphA:
undetectable		 3u9fB-3zphA:
22.18
3u9fC-3zphA:
22.18
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.
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 3u9fB-4c2fA:
undetectable
3u9fC-4c2fA:
undetectable		 3u9fB-4c2fA:
20.19
3u9fC-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
 1.17A 3u9fB-4gelA:
undetectable
3u9fC-4gelA:
undetectable		 3u9fB-4gelA:
19.03
3u9fC-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
 1.29A 3u9fB-4heaN:
undetectable
3u9fC-4heaN:
undetectable		 3u9fB-4heaN:
16.36
3u9fC-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.
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
 1.27A 3u9fB-4itxA:
2.5
3u9fC-4itxA:
2.4		 3u9fB-4itxA:
22.00
3u9fC-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.
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)
 1.09A 3u9fB-4j2hA:
undetectable
3u9fC-4j2hA:
undetectable		 3u9fB-4j2hA:
23.36
3u9fC-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.
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
 1.30A 3u9fB-4mfiA:
undetectable
3u9fC-4mfiA:
undetectable		 3u9fB-4mfiA:
18.92
3u9fC-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
LEU A  34
VAL A  35
PHE A  43
CYH A  38
 None
 1.11A 3u9fB-4mj7A:
undetectable
3u9fC-4mj7A:
undetectable		 3u9fB-4mj7A:
18.94
3u9fC-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.
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
 1.19A 3u9fB-4mj7A:
undetectable
3u9fC-4mj7A:
undetectable		 3u9fB-4mj7A:
18.94
3u9fC-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
 1.17A 3u9fB-4nlbA:
undetectable
3u9fC-4nlbA:
undetectable		 3u9fB-4nlbA:
21.49
3u9fC-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.
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
 1.38A 3u9fB-4od7A:
undetectable
3u9fC-4od7A:
undetectable		 3u9fB-4od7A:
24.44
3u9fC-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
 1.23A 3u9fB-4opuA:
undetectable
3u9fC-4opuA:
undetectable		 3u9fB-4opuA:
17.65
3u9fC-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.
4p3m SERINE
HYDROXYMETHYLTRANSFE
RASE

(Psychromonas
ingrahamii) 		PF00464
(SHMT) 		5 SER A 301
SER A 379
LEU A  32
VAL A 344
PHE A 319
 None
 1.33A 3u9fB-4p3mA:
1.7
3u9fC-4p3mA:
undetectable		 3u9fB-4p3mA:
18.53
3u9fC-4p3mA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.34A 3u9fB-4q73A:
undetectable
3u9fC-4q73A:
undetectable		 3u9fB-4q73A:
11.97
3u9fC-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.
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 935
PHE A 799
 None
 1.28A 3u9fB-4q73A:
undetectable
3u9fC-4q73A:
undetectable		 3u9fB-4q73A:
11.97
3u9fC-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.
4u28 PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
sviceus) 		PF00977
(His_biosynth) 		5 THR A 170
SER A 200
LEU A  58
VAL A  22
VAL A  56
 None
PO4  A 301 ( 4.4A)
None
None
None
 1.42A 3u9fB-4u28A:
undetectable
3u9fC-4u28A:
undetectable		 3u9fB-4u28A:
19.84
3u9fC-4u28A:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wcj POLYSACCHARIDE
DEACETYLASE

(Ammonifex
degensii) 		PF01522
(Polysacc_deac_1) 		5 THR A 265
SER A 268
LEU A  33
VAL A 250
VAL A 272
 None
 1.40A 3u9fB-4wcjA:
undetectable
3u9fC-4wcjA:
undetectable		 3u9fB-4wcjA:
18.52
3u9fC-4wcjA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x2r 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)METHYLIDENEAM
INO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Actinomyces
urogenitalis) 		PF00977
(His_biosynth) 		5 THR A 164
SER A 194
LEU A  52
VAL A  16
VAL A  50
 None
PO4  A 303 ( 4.2A)
None
None
PO4  A 303 (-4.7A)
 1.38A 3u9fB-4x2rA:
undetectable
3u9fC-4x2rA:
undetectable		 3u9fB-4x2rA:
21.37
3u9fC-4x2rA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.20A 3u9fB-4xg0A:
undetectable
3u9fC-4xg0A:
undetectable		 3u9fB-4xg0A:
18.86
3u9fC-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.
4y9w ASPARTIC ACID
ENDOPEPTIDASE SAPP2

(Candida
parapsilosis) 		PF00026
(Asp) 		5 SER A 217
LEU A 304
VAL A 309
PHE A 311
PHE A 261
 None
 1.23A 3u9fB-4y9wA:
undetectable
3u9fC-4y9wA:
undetectable		 3u9fB-4y9wA:
18.97
3u9fC-4y9wA:
18.97
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.
4yah D-METHIONINE-BINDING
LIPOPROTEIN METQ

(Escherichia
coli) 		PF03180
(Lipoprotein_9) 		5 PHE X 110
LEU X  63
VAL X  61
PHE X 246
VAL X  37
 None
 1.44A 3u9fB-4yahX:
undetectable
3u9fC-4yahX:
undetectable		 3u9fB-4yahX:
21.24
3u9fC-4yahX:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ypt REPLICASE
POLYPROTEIN 1AB

(Murine
coronavirus) 		PF08715
(Viral_protease) 		5 THR A1814
LEU A1790
VAL A1835
PHE A1840
CYH A1788
 None
 1.40A 3u9fB-4yptA:
undetectable
3u9fC-4yptA:
undetectable		 3u9fB-4yptA:
18.49
3u9fC-4yptA:
18.49
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.
5d9t DEHYDROASCORBATE
REDUCTASE

(Oryza sativa) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 THR A  92
SER A 148
LEU A 131
VAL A 180
HIS A 134
 None
 1.40A 3u9fB-5d9tA:
undetectable
3u9fC-5d9tA:
undetectable		 3u9fB-5d9tA:
20.24
3u9fC-5d9tA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.43A 3u9fB-5dy1A:
undetectable
3u9fC-5dy1A:
undetectable		 3u9fB-5dy1A:
20.82
3u9fC-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.
5elg GLUTATHIONE
S-TRANSFERASE DHAR1,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 THR A  91
SER A 148
LEU A 130
VAL A 180
HIS A 133
 None
 1.40A 3u9fB-5elgA:
undetectable
3u9fC-5elgA:
undetectable		 3u9fB-5elgA:
23.77
3u9fC-5elgA:
23.77
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.
5eur UNCHARACTERIZED
PROTEIN

(Shigella
flexneri) 		no annotation 5 THR A  43
SER A  42
LEU A   8
VAL A  21
PHE A  31
 None
 1.07A 3u9fB-5eurA:
undetectable
3u9fC-5eurA:
undetectable		 3u9fB-5eurA:
19.63
3u9fC-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.
5gkv ESTERASE A

(Caulobacter
vibrioides) 		PF00144
(Beta-lactamase) 		5 THR A  69
SER A 329
LEU A 300
VAL A 299
PHE A 229
 None
 1.32A 3u9fB-5gkvA:
undetectable
3u9fC-5gkvA:
undetectable		 3u9fB-5gkvA:
20.94
3u9fC-5gkvA:
20.94
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.
5hdi CYTOCHROME P450 144

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 THR A 280
SER A 279
PHE A 322
VAL A 136
VAL A 184
 HEM  A 501 (-4.3A)
HEM  A 501 (-3.3A)
HEM  A 501 (-4.6A)
None
None
 1.24A 3u9fB-5hdiA:
undetectable
3u9fC-5hdiA:
undetectable		 3u9fB-5hdiA:
19.26
3u9fC-5hdiA:
19.26
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.
5hdt SISTER CHROMATID
COHESION PROTEIN
PDS5 HOMOLOG B

(Homo sapiens) 		no annotation 5 LEU A  35
VAL A  80
PHE A  68
PHE A  42
CYH A  83
 None
 1.16A 3u9fB-5hdtA:
undetectable
3u9fC-5hdtA:
undetectable		 3u9fB-5hdtA:
11.48
3u9fC-5hdtA:
11.48
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
 1.01A 3u9fB-5hkjA:
undetectable
3u9fC-5hkjA:
undetectable		 3u9fB-5hkjA:
20.76
3u9fC-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.
5hkj COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
A,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
C,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
B

(Homo sapiens) 		PF00386
(C1q) 		5 THR A 366
SER A 229
VAL A  97
PHE A 265
VAL A 194
 None
 1.28A 3u9fB-5hkjA:
undetectable
3u9fC-5hkjA:
undetectable		 3u9fB-5hkjA:
20.76
3u9fC-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.
5ijg CYS/MET METABOLISM
PYRIDOXAL-PHOSPHATE-
DEPENDENT ENZYME

(Brucella
melitensis) 		PF01053
(Cys_Met_Meta_PP) 		5 SER A 100
LEU A 234
PHE A 118
VAL A 260
PHE A 104
 None
 1.41A 3u9fB-5ijgA:
undetectable
3u9fC-5ijgA:
undetectable		 3u9fB-5ijgA:
17.95
3u9fC-5ijgA:
17.95
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.
5nuv AUTOPHAGY-RELATED
PROTEIN 16-1

(Homo sapiens) 		PF00400
(WD40) 		5 PHE A 374
SER A 586
LEU A 603
VAL A 593
CYH A 356
 None
 1.14A 3u9fB-5nuvA:
undetectable
3u9fC-5nuvA:
undetectable		 3u9fB-5nuvA:
19.68
3u9fC-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.
5nuv AUTOPHAGY-RELATED
PROTEIN 16-1

(Homo sapiens) 		PF00400
(WD40) 		5 SER A 331
PHE A 374
SER A 586
LEU A 603
VAL A 593
 None
 1.43A 3u9fB-5nuvA:
undetectable
3u9fC-5nuvA:
undetectable		 3u9fB-5nuvA:
19.68
3u9fC-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.
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
 1.36A 3u9fB-5nuvA:
undetectable
3u9fC-5nuvA:
undetectable		 3u9fB-5nuvA:
19.68
3u9fC-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
 1.32A 3u9fB-5o4mA:
undetectable
3u9fC-5o4mA:
undetectable		 3u9fB-5o4mA:
22.26
3u9fC-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.
5w21 KLOTHO

(Homo sapiens) 		no annotation 5 THR A  76
SER A 128
TYR A 172
SER A  71
VAL A 185
 None
 1.39A 3u9fB-5w21A:
undetectable
3u9fC-5w21A:
undetectable		 3u9fB-5w21A:
undetectable
3u9fC-5w21A:
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.
5x2o TASTE RECEPTOR, TYPE
1, MEMBER 3

(Oryzias latipes) 		PF01094
(ANF_receptor) 		5 SER B 169
PHE B 170
SER B 150
LEU B 276
VAL B 277
 None
None
ARG  B 951 (-2.8A)
ARG  B 951 (-4.5A)
None
 1.27A 3u9fB-5x2oB:
undetectable
3u9fC-5x2oB:
undetectable		 3u9fB-5x2oB:
15.21
3u9fC-5x2oB:
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.
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
 1.27A 3u9fB-5x49A:
undetectable
3u9fC-5x49A:
undetectable		 3u9fB-5x49A:
16.92
3u9fC-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.
5xyb -

(-) 		no annotation 5 SER A 358
PHE A 167
SER A 351
LEU A 366
PHE A 276
 None
 1.36A 3u9fB-5xybA:
undetectable
3u9fC-5xybA:
undetectable		 3u9fB-5xybA:
undetectable
3u9fC-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.
6a91 -

(-) 		no annotation 5 SER A 870
LEU A 962
VAL A 965
PHE A1304
VAL A1308
 None
 1.43A 3u9fB-6a91A:
undetectable
3u9fC-6a91A:
undetectable		 3u9fB-6a91A:
undetectable
3u9fC-6a91A:
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
 1.23A 3u9fB-6c9dA:
undetectable
3u9fC-6c9dA:
undetectable		 3u9fB-6c9dA:
undetectable
3u9fC-6c9dA:
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.
6caj TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT BETA

(Homo sapiens) 		no annotation 5 THR C 173
SER C 171
LEU C 245
VAL C 316
VAL C 267
 None
 1.41A 3u9fB-6cajC:
undetectable
3u9fC-6cajC:
undetectable		 3u9fB-6cajC:
undetectable
3u9fC-6cajC:
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.
6coy CHLORIDE CHANNEL
PROTEIN 1

(Homo sapiens) 		no annotation 5 THR A 539
SER A 537
TYR A 578
SER A 541
PHE A 279
 None
 1.36A 3u9fB-6coyA:
undetectable
3u9fC-6coyA:
undetectable		 3u9fB-6coyA:
undetectable
3u9fC-6coyA:
undetectable