SIMILAR PATTERNS OF AMINO ACIDS FOR 5W97_C_CHDC306_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.
1a3q PROTEIN (NUCLEAR
FACTOR KAPPA-B P52)

(Homo sapiens) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		4 LYS A 310
LEU A 309
LEU A 248
PHE A 289
 None
 1.01A 5w97C-1a3qA:
undetectable
5w97J-1a3qA:
0.0		 5w97C-1a3qA:
21.92
5w97J-1a3qA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bix AP ENDONUCLEASE 1

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 LEU A 205
PHE A 165
LEU A 199
PHE A 195
 None
 1.09A 5w97C-1bixA:
1.1
5w97J-1bixA:
undetectable		 5w97C-1bixA:
18.33
5w97J-1bixA:
14.65
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.
1dml DNA POLYMERASE
PROCESSIVITY FACTOR

(Human
alphaherpesvirus
1) 		PF02282
(Herpes_UL42) 		4 LYS A 316
LEU A 315
PHE A 313
PHE A 265
 None
 1.12A 5w97C-1dmlA:
undetectable
5w97J-1dmlA:
0.0		 5w97C-1dmlA:
22.39
5w97J-1dmlA:
10.03
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.
1ehl ANTI-(6-4)
PHOTOPRODUCT
ANTIBODY 64M-2 FAB
(HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LYS H 145
LEU H 187
PHE H 174
LEU H 154
 None
 1.06A 5w97C-1ehlH:
undetectable
5w97J-1ehlH:
undetectable		 5w97C-1ehlH:
21.45
5w97J-1ehlH:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g59 GLUTAMYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00749
(tRNA-synt_1c) 		4 LYS A 149
LEU A 148
LEU A 219
PHE A 223
 None
 0.99A 5w97C-1g59A:
0.0
5w97J-1g59A:
0.0		 5w97C-1g59A:
18.76
5w97J-1g59A:
12.26
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.
1jkw CYCLIN H

(Homo sapiens) 		PF00134
(Cyclin_N)
PF16899
(Cyclin_C_2) 		4 ARG A 102
LEU A 106
PHE A 110
LEU A 129
 None
 0.84A 5w97C-1jkwA:
0.6
5w97J-1jkwA:
0.0		 5w97C-1jkwA:
20.52
5w97J-1jkwA:
13.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kaf TRANSCRIPTION
REGULATORY PROTEIN
MOTA

(Escherichia
virus T4) 		PF09158
(MotCF) 		4 LYS A 130
LEU A 128
LEU A 121
PHE A 152
 None
 1.11A 5w97C-1kafA:
undetectable
5w97J-1kafA:
0.0		 5w97C-1kafA:
14.29
5w97J-1kafA:
19.35
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.
1o12 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		4 ARG A 168
LEU A 165
PHE A 152
LEU A 140
 None
 1.01A 5w97C-1o12A:
0.0
5w97J-1o12A:
0.0		 5w97C-1o12A:
22.61
5w97J-1o12A:
10.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oj4 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE

(Escherichia
coli) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 LYS A 271
LEU A  35
PHE A  34
PHE A 245
 None
 0.92A 5w97C-1oj4A:
0.0
5w97J-1oj4A:
0.0		 5w97C-1oj4A:
23.79
5w97J-1oj4A:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ox4 IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE
HISHF

(Saccharomyces
cerevisiae) 		PF00117
(GATase)
PF00977
(His_biosynth) 		4 ARG B 238
LYS B 546
LEU B 545
LEU B 513
 None
 1.13A 5w97C-1ox4B:
undetectable
5w97J-1ox4B:
undetectable		 5w97C-1ox4B:
17.81
5w97J-1ox4B:
7.29
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.
1t90 PROBABLE
METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00171
(Aldedh) 		4 ARG A   5
LYS A   6
LEU A   7
LEU A 183
 None
 1.13A 5w97C-1t90A:
2.2
5w97J-1t90A:
undetectable		 5w97C-1t90A:
18.74
5w97J-1t90A:
9.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u8v GAMMA-AMINOBUTYRATE
METABOLISM
DEHYDRATASE/ISOMERAS
E

(Clostridium
aminobutyricum) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		4 ARG A 433
LEU A 437
LEU A 391
PHE A 422
 None
 0.85A 5w97C-1u8vA:
undetectable
5w97J-1u8vA:
undetectable		 5w97C-1u8vA:
19.70
5w97J-1u8vA:
8.93
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.
1ua2 CELL DIVISION
PROTEIN KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		4 LYS A 152
LEU A 153
PHE A 156
LEU A 125
 None
 1.03A 5w97C-1ua2A:
2.2
5w97J-1ua2A:
undetectable		 5w97C-1ua2A:
20.17
5w97J-1ua2A:
11.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ys2 LIPASE

(Burkholderia
cepacia) 		PF00561
(Abhydrolase_1) 		4 LEU X 167
PHE X 119
LEU X  17
PHE X  52
 2HS  X 600 ( 4.5A)
None
2HS  X 600 (-4.1A)
None
 0.92A 5w97C-1ys2X:
undetectable
5w97J-1ys2X:
undetectable		 5w97C-1ys2X:
22.32
5w97J-1ys2X:
11.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		4 LEU A 184
PHE A 158
LEU A 176
PHE A 172
 None
 0.89A 5w97C-1yw6A:
undetectable
5w97J-1yw6A:
undetectable		 5w97C-1yw6A:
20.54
5w97J-1yw6A:
11.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bec CALCINEURIN B
HOMOLOGOUS PROTEIN 2

(Homo sapiens) 		PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		4 ARG A 112
LEU A 116
PHE A 120
LEU A 181
 None
 1.05A 5w97C-2becA:
undetectable
5w97J-2becA:
undetectable		 5w97C-2becA:
25.67
5w97J-2becA:
12.38
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.
2bgs ALDOSE REDUCTASE

(Hordeum vulgare) 		PF00248
(Aldo_ket_red) 		4 LYS A  19
LEU A  18
PHE A  16
LEU A 117
 None
 1.11A 5w97C-2bgsA:
undetectable
5w97J-2bgsA:
undetectable		 5w97C-2bgsA:
21.71
5w97J-2bgsA:
9.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ghb MALTOSE ABC
TRANSPORTER,
PERIPLASMIC
MALTOSE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF13416
(SBP_bac_8) 		4 LEU A 103
PHE A  97
LEU A  86
PHE A  83
 None
 1.06A 5w97C-2ghbA:
undetectable
5w97J-2ghbA:
undetectable		 5w97C-2ghbA:
19.69
5w97J-2ghbA:
9.45
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.
2jek RV1873

(Mycobacterium
tuberculosis) 		PF08837
(DUF1810) 		4 LEU A 125
PHE A 122
LEU A 105
PHE A  97
 None
 1.11A 5w97C-2jekA:
undetectable
5w97J-2jekA:
undetectable		 5w97C-2jekA:
19.92
5w97J-2jekA:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jjy ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE

(Francisella
tularensis) 		PF13561
(adh_short_C2) 		4 LEU A  60
PHE A  37
LEU A  73
PHE A  74
 None
 1.12A 5w97C-2jjyA:
undetectable
5w97J-2jjyA:
undetectable		 5w97C-2jjyA:
21.14
5w97J-2jjyA:
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.
2lqn CRK-LIKE PROTEIN

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07653
(SH3_2) 		4 LEU A  84
PHE A  71
LEU A  85
PHE A  36
 None
 1.14A 5w97C-2lqnA:
undetectable
5w97J-2lqnA:
undetectable		 5w97C-2lqnA:
19.49
5w97J-2lqnA:
12.20
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.
2opt ACTII PROTEIN

(Streptomyces
coelicolor) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		4 ARG A  75
LEU A  79
PHE A  83
LEU A  49
 None
 0.65A 5w97C-2optA:
3.1
5w97J-2optA:
undetectable		 5w97C-2optA:
23.19
5w97J-2optA:
12.39
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.
2otn DIAMINOPIMELATE
EPIMERASE

(Bacillus
anthracis) 		PF01678
(DAP_epimerase) 		4 ARG A  81
LYS A 271
LEU A 258
LEU A  12
 None
 0.70A 5w97C-2otnA:
undetectable
5w97J-2otnA:
undetectable		 5w97C-2otnA:
21.78
5w97J-2otnA:
14.93
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.
2pkg SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
65 KDA REGULATORY
SUBUNIT A ALPHA
ISOFORM

(Homo sapiens) 		PF02985
(HEAT)
PF13646
(HEAT_2) 		4 LYS A 163
LEU A 166
PHE A 170
PHE A 128
 None
 0.96A 5w97C-2pkgA:
2.4
5w97J-2pkgA:
undetectable		 5w97C-2pkgA:
18.53
5w97J-2pkgA:
8.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pyu INOSINE TRIPHOSPHATE
PYROPHOSPHATASE RDGB

(Escherichia
coli) 		PF01725
(Ham1p_like) 		4 ARG A 126
LEU A  -6
PHE A  24
LEU A 134
 None
 1.09A 5w97C-2pyuA:
undetectable
5w97J-2pyuA:
undetectable		 5w97C-2pyuA:
21.93
5w97J-2pyuA:
14.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q2r GLUCOKINASE 1,
PUTATIVE

(Trypanosoma
cruzi) 		PF02685
(Glucokinase) 		4 ARG A  83
LEU A  24
PHE A  26
LEU A  15
 None
 1.04A 5w97C-2q2rA:
undetectable
5w97J-2q2rA:
undetectable		 5w97C-2q2rA:
21.78
5w97J-2q2rA:
10.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qp2 UNKNOWN PROTEIN

(Photorhabdus
laumondii) 		PF01823
(MACPF) 		4 LYS A 335
LEU A 338
PHE A 342
LEU A 194
 None
 1.04A 5w97C-2qp2A:
undetectable
5w97J-2qp2A:
undetectable		 5w97C-2qp2A:
18.59
5w97J-2qp2A:
7.05
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.
2qx2 SEX PHEROMONE
STAPH-CAM373

(Staphylococcus
aureus) 		PF07537
(CamS) 		4 LYS A 323
LEU A 287
PHE A 306
LEU A 299
 None
 1.12A 5w97C-2qx2A:
undetectable
5w97J-2qx2A:
undetectable		 5w97C-2qx2A:
19.43
5w97J-2qx2A:
12.45
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.
2xgo XCOGT

(Xanthomonas
campestris) 		PF13432
(TPR_16)
PF13844
(Glyco_transf_41) 		4 ARG A 532
LEU A 536
PHE A 543
LEU A 501
 None
 1.06A 5w97C-2xgoA:
undetectable
5w97J-2xgoA:
undetectable		 5w97C-2xgoA:
16.90
5w97J-2xgoA:
7.00
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.
2xn6 THYROXINE-BINDING
GLOBULIN

(Homo sapiens) 		PF00079
(Serpin) 		4 LEU A 180
PHE A 349
LEU A  60
PHE A 315
 None
 1.02A 5w97C-2xn6A:
undetectable
5w97J-2xn6A:
undetectable		 5w97C-2xn6A:
20.83
5w97J-2xn6A:
11.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xsw 72 KDA INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 ARG A 557
PHE A 523
LEU A 510
PHE A 480
 None
 1.11A 5w97C-2xswA:
undetectable
5w97J-2xswA:
undetectable		 5w97C-2xswA:
21.62
5w97J-2xswA:
10.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yu6 YTH
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF04146
(YTH) 		4 LEU A  40
PHE A  44
LEU A  52
PHE A  54
 None
 1.14A 5w97C-2yu6A:
undetectable
5w97J-2yu6A:
undetectable		 5w97C-2yu6A:
18.56
5w97J-2yu6A:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z66 VARIABLE LYMPHOCYTE
RECEPTOR B,
TOLL-LIKE RECEPTOR 4

(Eptatretus
burgeri;
Homo sapiens) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		4 LEU A 424
PHE A 443
LEU A 404
PHE A 396
 None
 1.11A 5w97C-2z66A:
undetectable
5w97J-2z66A:
undetectable		 5w97C-2z66A:
21.77
5w97J-2z66A:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b86 GENERAL
ODORANT-BINDING
PROTEIN LUSH

(Drosophila
melanogaster) 		PF01395
(PBP_GOBP) 		4 LEU A  44
PHE A  21
LEU A  31
PHE A  36
 None
 0.97A 5w97C-3b86A:
undetectable
5w97J-3b86A:
undetectable		 5w97C-3b86A:
17.60
5w97J-3b86A:
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.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 ARG A 144
LEU A 151
PHE A 152
LEU A 266
 None
 1.12A 5w97C-3cttA:
undetectable
5w97J-3cttA:
undetectable		 5w97C-3cttA:
14.24
5w97J-3cttA:
5.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e2s PROLINE
DEHYDROGENASE

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 ARG A 569
LEU A 575
LEU A 580
PHE A 566
 None
 1.13A 5w97C-3e2sA:
undetectable
5w97J-3e2sA:
undetectable		 5w97C-3e2sA:
18.23
5w97J-3e2sA:
8.29
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.
3e4e CYTOCHROME P450 2E1

(Homo sapiens) 		PF00067
(p450) 		4 LYS A 461
LEU A 460
PHE A 458
LEU A 312
 None
 1.03A 5w97C-3e4eA:
undetectable
5w97J-3e4eA:
undetectable		 5w97C-3e4eA:
19.83
5w97J-3e4eA:
7.98
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.
3evz METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF05175
(MTS) 		4 LEU A 202
PHE A 153
LEU A 186
PHE A 182
 None
 1.06A 5w97C-3evzA:
undetectable
5w97J-3evzA:
undetectable		 5w97C-3evzA:
19.78
5w97J-3evzA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ewe NUCLEOPORIN NUP85

(Saccharomyces
cerevisiae) 		PF07575
(Nucleopor_Nup85) 		4 LEU B 362
PHE B 360
LEU B 208
PHE B 204
 None
 1.13A 5w97C-3eweB:
undetectable
5w97J-3eweB:
undetectable		 5w97C-3eweB:
18.94
5w97J-3eweB:
7.80
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.
3exn PROBABLE
ACETYLTRANSFERASE

(Thermus
thermophilus) 		PF00583
(Acetyltransf_1) 		4 LEU A  63
PHE A  62
LEU A  22
PHE A  26
 None
 0.80A 5w97C-3exnA:
undetectable
5w97J-3exnA:
undetectable		 5w97C-3exnA:
23.02
5w97J-3exnA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gzg MOLYBDATE-BINDING
PERIPLASMIC PROTEIN
PERMEASE

(Xanthomonas
citri) 		PF13531
(SBP_bac_11) 		4 LEU A  80
PHE A 230
LEU A 216
PHE A 212
 None
 0.89A 5w97C-3gzgA:
undetectable
5w97J-3gzgA:
undetectable		 5w97C-3gzgA:
24.09
5w97J-3gzgA:
12.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB7

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF00575
(S1)
PF03876
(SHS2_Rpb7-N) 		4 LYS G   3
LEU G   5
PHE A1496
LEU G  50
 None
 0.87A 5w97C-3h0gG:
undetectable
5w97J-3h0gG:
undetectable		 5w97C-3h0gG:
22.22
5w97J-3h0gG:
16.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hrt METALLOREGULATOR
SCAR

(Streptococcus
gordonii) 		PF01325
(Fe_dep_repress)
PF02742
(Fe_dep_repr_C)
PF04023
(FeoA) 		4 ARG A  74
LYS A  75
LEU A  78
PHE A  82
 None
 0.69A 5w97C-3hrtA:
undetectable
5w97J-3hrtA:
undetectable		 5w97C-3hrtA:
18.61
5w97J-3hrtA:
14.49
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.
3iiw POLYCOMB PROTEIN EED

(Homo sapiens) 		PF00400
(WD40) 		4 LYS A 385
LEU A 386
LEU A 425
PHE A  82
 None
 1.12A 5w97C-3iiwA:
undetectable
5w97J-3iiwA:
undetectable		 5w97C-3iiwA:
19.63
5w97J-3iiwA:
12.54
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.
3jb4 VP3

(Parechovirus B) 		PF00073
(Rhv) 		4 LYS C 132
PHE C 129
LEU C 201
PHE C 103
 None
 1.12A 5w97C-3jb4C:
undetectable
5w97J-3jb4C:
undetectable		 5w97C-3jb4C:
19.72
5w97J-3jb4C:
12.97
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.
3ju5 ARGININE KINASE

(Apostichopus
japonicus) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		4 LEU A  79
PHE A  76
LEU A  25
PHE A  18
 None
 1.09A 5w97C-3ju5A:
undetectable
5w97J-3ju5A:
undetectable		 5w97C-3ju5A:
20.42
5w97J-3ju5A:
10.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jv5 NUCLEAR FACTOR
NF-KAPPA-B P100
SUBUNIT

(Mus musculus) 		PF16179
(RHD_dimer) 		4 LYS A 310
LEU A 309
LEU A 248
PHE A 289
 None
 1.13A 5w97C-3jv5A:
undetectable
5w97J-3jv5A:
undetectable		 5w97C-3jv5A:
14.56
5w97J-3jv5A:
24.04
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.
3kyf PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
putida) 		PF07238
(PilZ)
PF07317
(YcgR) 		4 ARG A 174
LYS A 146
LEU A 145
PHE A 167
 None
 1.10A 5w97C-3kyfA:
undetectable
5w97J-3kyfA:
undetectable		 5w97C-3kyfA:
23.31
5w97J-3kyfA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lmm UNCHARACTERIZED
PROTEIN

(Corynebacterium
diphtheriae) 		PF04326
(AlbA_2)
PF13749
(HATPase_c_4) 		4 ARG A 197
LEU A 193
LEU A 211
PHE A 203
 None
 1.04A 5w97C-3lmmA:
undetectable
5w97J-3lmmA:
undetectable		 5w97C-3lmmA:
17.18
5w97J-3lmmA:
6.64
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.
3mvu TENA FAMILY
TRANSCRIPTIONAL
REGULATOR

(Ruegeria sp.
TM1040) 		PF03070
(TENA_THI-4) 		4 LEU A 204
PHE A 208
LEU A 187
PHE A 195
 None
None
None
EDO  A 231 (-3.8A)
 0.91A 5w97C-3mvuA:
3.1
5w97J-3mvuA:
undetectable		 5w97C-3mvuA:
20.30
5w97J-3mvuA:
14.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q8i ODORANT BINDING
PROTEIN

(Anopheles
gambiae) 		PF01395
(PBP_GOBP) 		4 LEU A  44
PHE A  21
LEU A  31
PHE A  36
 None
 1.00A 5w97C-3q8iA:
undetectable
5w97J-3q8iA:
undetectable		 5w97C-3q8iA:
17.72
5w97J-3q8iA:
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.
3rd5 MYPAA.01249.C

(Mycobacterium
avium) 		PF00106
(adh_short) 		4 ARG A 131
LEU A 191
PHE A 246
LEU A 241
 None
 0.94A 5w97C-3rd5A:
undetectable
5w97J-3rd5A:
undetectable		 5w97C-3rd5A:
21.79
5w97J-3rd5A:
12.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vga ANTIBODY FAB
FRAGMENT HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LYS C 154
LEU C 188
PHE C 177
LEU C 163
 None
 1.10A 5w97C-3vgaC:
undetectable
5w97J-3vgaC:
undetectable		 5w97C-3vgaC:
22.42
5w97J-3vgaC:
15.91
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.
4a8e PROBABLE TYROSINE
RECOMBINASE
XERC-LIKE

(Pyrococcus
abyssi) 		PF00589
(Phage_integrase)
PF02899
(Phage_int_SAM_1) 		4 ARG A 184
LEU A 181
LEU A 191
PHE A 192
 None
 0.89A 5w97C-4a8eA:
undetectable
5w97J-4a8eA:
undetectable		 5w97C-4a8eA:
19.68
5w97J-4a8eA:
12.25
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.
4abn TETRATRICOPEPTIDE
REPEAT PROTEIN 5

(Mus musculus) 		PF16669
(TTC5_OB) 		4 LYS A 281
PHE A 355
LEU A 274
PHE A 405
 None
 0.99A 5w97C-4abnA:
3.3
5w97J-4abnA:
undetectable		 5w97C-4abnA:
19.53
5w97J-4abnA:
9.02
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.
4c0g CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 3

(Homo sapiens) 		PF04153
(NOT2_3_5) 		4 LEU A 671
PHE A 673
LEU A 666
PHE A 662
 None
 1.06A 5w97C-4c0gA:
undetectable
5w97J-4c0gA:
undetectable		 5w97C-4c0gA:
19.83
5w97J-4c0gA:
16.09
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.
4cbv COME

(Streptococcus
pneumoniae) 		PF00072
(Response_reg)
PF04397
(LytTR) 		4 ARG A 217
LYS A 218
LEU A 220
LEU A 235
 None
 1.13A 5w97C-4cbvA:
undetectable
5w97J-4cbvA:
undetectable		 5w97C-4cbvA:
16.54
5w97J-4cbvA:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cnm TROPHOBLAST
GLYCOPROTEIN

(Homo sapiens) 		PF01462
(LRRNT)
PF01463
(LRRCT)
PF13855
(LRR_8) 		4 LYS A 172
LEU A 175
LEU A 147
PHE A 138
 None
 1.13A 5w97C-4cnmA:
undetectable
5w97J-4cnmA:
undetectable		 5w97C-4cnmA:
21.14
5w97J-4cnmA:
12.98
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.
4d7q RALF,
PROLINE/BETAINE
TRANSPORTER

(Legionella
pneumophila;
Rickettsia
prowazekii) 		PF01369
(Sec7) 		4 LEU A 110
PHE A 114
LEU A 100
PHE A 196
 None
None
None
EPE  A1347 (-3.5A)
 1.13A 5w97C-4d7qA:
undetectable
5w97J-4d7qA:
undetectable		 5w97C-4d7qA:
19.79
5w97J-4d7qA:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e1e FARNESYL
PYROPHOSPHATE
SYNTHASE

(Trypanosoma
cruzi) 		PF00348
(polyprenyl_synt) 		4 LEU A 215
PHE A 210
LEU A 155
PHE A 222
 None
 1.14A 5w97C-4e1eA:
2.7
5w97J-4e1eA:
undetectable		 5w97C-4e1eA:
20.44
5w97J-4e1eA:
10.92
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.
4eco UNCHARACTERIZED
PROTEIN

(Bacteroides
eggerthii) 		no annotation 4 LYS A 613
LEU A 614
LEU A 628
PHE A 652
 None
 0.91A 5w97C-4ecoA:
undetectable
5w97J-4ecoA:
undetectable		 5w97C-4ecoA:
16.35
5w97J-4ecoA:
6.14
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.
4fd0 LEUCINE RICH
HYPOTHETICAL PROTEIN

(Bacteroides
caccae) 		PF07523
(Big_3)
PF13306
(LRR_5) 		4 LEU A 300
PHE A 272
LEU A 323
PHE A 332
 None
 1.11A 5w97C-4fd0A:
undetectable
5w97J-4fd0A:
undetectable		 5w97C-4fd0A:
20.25
5w97J-4fd0A:
8.48
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.
4fdw LEUCINE RICH
HYPOTHETICAL PROTEIN

(Bacteroides
ovatus) 		PF07523
(Big_3)
PF13306
(LRR_5) 		4 LEU A 300
PHE A 272
LEU A 323
PHE A 332
 None
 1.13A 5w97C-4fdwA:
undetectable
5w97J-4fdwA:
undetectable		 5w97C-4fdwA:
19.90
5w97J-4fdwA:
11.36
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.
4flx DNA POLYMERASE 1

(Pyrococcus
abyssi) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.95A 5w97C-4flxA:
undetectable
5w97J-4flxA:
undetectable		 5w97C-4flxA:
13.49
5w97J-4flxA:
6.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fqn MALCAVERNIN

(Homo sapiens) 		PF16545
(CCM2_C) 		5 ARG A 354
LEU A 351
PHE A 348
LEU A 369
PHE A 365
 None
 1.50A 5w97C-4fqnA:
undetectable
5w97J-4fqnA:
undetectable		 5w97C-4fqnA:
14.18
5w97J-4fqnA:
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.
4g2b SECRETED EFFECTOR
PROTEIN SSEI

(Salmonella
enterica) 		PF15645
(Tox-PLDMTX) 		4 LYS A 267
LEU A 268
PHE A 203
PHE A 311
 None
 1.01A 5w97C-4g2bA:
undetectable
5w97J-4g2bA:
undetectable		 5w97C-4g2bA:
19.71
5w97J-4g2bA:
13.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hqf THROMBOSPONDIN-RELAT
ED ANONYMOUS
PROTEIN, TRAP

(Plasmodium
falciparum) 		PF00092
(VWA) 		4 ARG A 176
LYS A 173
LEU A 172
LEU A 202
 None
 1.08A 5w97C-4hqfA:
undetectable
5w97J-4hqfA:
undetectable		 5w97C-4hqfA:
20.74
5w97J-4hqfA:
10.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j0m SERINE/THREONINE-PRO
TEIN KINASE
BRI1-LIKE 1

(Arabidopsis
thaliana) 		PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 LEU A 228
PHE A 230
LEU A 203
PHE A 199
 None
 0.99A 5w97C-4j0mA:
undetectable
5w97J-4j0mA:
undetectable		 5w97C-4j0mA:
16.01
5w97J-4j0mA:
5.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kpr THIOREDOXIN
REDUCTASE 1,
CYTOPLASMIC

(Rattus
norvegicus) 		no annotation 4 LYS E 255
PHE E 251
LEU E 194
PHE E 284
 None
 1.10A 5w97C-4kprE:
undetectable
5w97J-4kprE:
undetectable		 5w97C-4kprE:
19.52
5w97J-4kprE:
8.02
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.
4lnq INTERFERON-ACTIVABLE
PROTEIN 202

(Mus musculus) 		PF02760
(HIN) 		4 LEU A 218
PHE A 239
LEU A 216
PHE A 188
 None
 1.09A 5w97C-4lnqA:
undetectable
5w97J-4lnqA:
undetectable		 5w97C-4lnqA:
19.62
5w97J-4lnqA:
14.29
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.
4n6q VOSA

(Aspergillus
nidulans) 		PF11754
(Velvet) 		4 LYS A 132
LEU A 131
PHE A 129
LEU A 121
 None
 0.84A 5w97C-4n6qA:
undetectable
5w97J-4n6qA:
undetectable		 5w97C-4n6qA:
22.18
5w97J-4n6qA:
16.48
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.
4ol8 REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Saccharomyces
cerevisiae) 		PF00078
(RVT_1) 		4 LEU A 368
PHE A 384
LEU A 416
PHE A 421
 None
 1.09A 5w97C-4ol8A:
undetectable
5w97J-4ol8A:
undetectable		 5w97C-4ol8A:
17.66
5w97J-4ol8A:
9.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ud4 POLY(A) RNA
POLYMERASE PROTEIN
CID1

(Schizosaccharomyces
pombe) 		PF01909
(NTP_transf_2)
PF03828
(PAP_assoc) 		4 LYS A 144
LEU A 145
LEU A 125
PHE A 121
 None
 0.80A 5w97C-4ud4A:
undetectable
5w97J-4ud4A:
undetectable		 5w97C-4ud4A:
19.95
5w97J-4ud4A:
10.26
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.
4uft NUCLEOPROTEIN

(Measles
morbillivirus) 		PF00973
(Paramyxo_ncap) 		4 ARG B 220
LYS B 180
LEU B 177
LEU B 216
 None
C  R  10 ( 3.0A)
None
None
 1.04A 5w97C-4uftB:
undetectable
5w97J-4uftB:
undetectable		 5w97C-4uftB:
20.64
5w97J-4uftB:
13.97
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.
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		4 LYS A 331
LEU A 334
LEU A 503
PHE A 499
 None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
 0.61A 5w97C-4wn9A:
undetectable
5w97J-4wn9A:
undetectable		 5w97C-4wn9A:
17.15
5w97J-4wn9A:
8.88
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.
4xpf ANTIBODY FRAGMENT
LIGHT CHAIN-PROTEIN,
9D5-LIGHT CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LYS H 149
LEU H 183
PHE H 172
LEU H 158
 None
 0.94A 5w97C-4xpfH:
undetectable
5w97J-4xpfH:
undetectable		 5w97C-4xpfH:
21.11
5w97J-4xpfH:
15.09
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.
4y99 TROPONIN T, CARDIAC
MUSCLE
TROPONIN I, CARDIAC
MUSCLE

(Homo sapiens;
Homo sapiens) 		PF00992
(Troponin)
PF00992
(Troponin)
PF11636
(Troponin-I_N) 		4 ARG C 111
LYS B 247
LEU B 250
PHE B 254
 None
 1.08A 5w97C-4y99C:
undetectable
5w97J-4y99C:
3.0		 5w97C-4y99C:
15.15
5w97J-4y99C:
14.49
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.
4zkt BOTULINUM NEUROTOXIN
TYPE E,
NONTOXIC-NONHEMAGGLU
TININ COMPONENT,
NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		4 LEU B 615
PHE B 616
LEU B 763
PHE B 608
 None
 1.04A 5w97C-4zktB:
3.9
5w97J-4zktB:
undetectable		 5w97C-4zktB:
10.56
5w97J-4zktB:
3.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c7m E3 UBIQUITIN-PROTEIN
LIGASE ITCHY HOMOLOG

(Homo sapiens) 		PF00632
(HECT) 		4 LEU A 649
PHE A 650
LEU A 781
PHE A 773
 None
 0.96A 5w97C-5c7mA:
undetectable
5w97J-5c7mA:
undetectable		 5w97C-5c7mA:
19.45
5w97J-5c7mA:
8.88
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.
5cww NUCLEOPORIN NUP82
NUCLEOPORIN NUP159

(Chaetomium
thermophilum;
Chaetomium
thermophilum) 		no annotation
no annotation 		4 ARG C1447
LYS C1448
LEU C1451
LEU B 425
 None
 0.91A 5w97C-5cwwC:
undetectable
5w97J-5cwwC:
undetectable		 5w97C-5cwwC:
8.89
5w97J-5cwwC:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d7w SERRALYSIN

(Serratia
marcescens) 		PF00353
(HemolysinCabind)
PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		4 LYS A  57
LEU A  58
PHE A  60
LEU A 182
 LYS  A  57 ( 0.0A)
LEU  A  58 ( 0.6A)
PHE  A  60 ( 1.3A)
LEU  A 182 ( 0.6A)
 0.93A 5w97C-5d7wA:
undetectable
5w97J-5d7wA:
undetectable		 5w97C-5d7wA:
19.92
5w97J-5d7wA:
8.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e32 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 LEU A 179
PHE A 233
LEU A  71
PHE A 148
 None
 1.09A 5w97C-5e32A:
undetectable
5w97J-5e32A:
undetectable		 5w97C-5e32A:
20.47
5w97J-5e32A:
10.21
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.
5fdk HOLLIDAY JUNCTION
RESOLVASE RECU

(Bacillus
subtilis) 		PF03838
(RecU) 		4 LYS A 151
LEU A 152
PHE A 135
PHE A 111
 None
 1.09A 5w97C-5fdkA:
undetectable
5w97J-5fdkA:
undetectable		 5w97C-5fdkA:
21.58
5w97J-5fdkA:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fn3 PRESENILIN-1

(Homo sapiens) 		PF01080
(Presenilin) 		4 LEU B 392
PHE B 388
LEU B 443
PHE B 447
 None
 1.00A 5w97C-5fn3B:
undetectable
5w97J-5fn3B:
undetectable		 5w97C-5fn3B:
20.04
5w97J-5fn3B:
7.86
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.
5fu6 CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 3

(Homo sapiens) 		PF04153
(NOT2_3_5) 		4 LEU C 671
PHE C 673
LEU C 666
PHE C 662
 None
 0.93A 5w97C-5fu6C:
undetectable
5w97J-5fu6C:
undetectable		 5w97C-5fu6C:
18.59
5w97J-5fu6C:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h55 MITOCHONDRIAL
DISTRIBUTION AND
MORPHOLOGY PROTEIN
12

(Kluyveromyces
lactis) 		no annotation 4 LYS A  41
LEU A  28
LEU A 216
PHE A 212
 None
 1.11A 5w97C-5h55A:
undetectable
5w97J-5h55A:
undetectable		 5w97C-5h55A:
20.86
5w97J-5h55A:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom)
PF11865
(DUF3385) 		4 LYS A2187
LEU A2186
PHE A2184
LEU A2230
 None
 0.98A 5w97C-5h64A:
5.8
5w97J-5h64A:
undetectable		 5w97C-5h64A:
6.94
5w97J-5h64A:
2.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5iy5 CYTOCHROME C OXIDASE
SUBUNIT 3

(Bos taurus) 		PF00510
(COX3) 		5 ARG C 156
LYS C 157
LEU C 160
PHE C 164
LEU C 223
 CHD  C 307 (-4.0A)
None
CHD  C 307 ( 3.9A)
CHD  C 307 (-3.9A)
None
 0.23A 5w97C-5iy5C:
36.6
5w97J-5iy5C:
undetectable		 5w97C-5iy5C:
100.00
5w97J-5iy5C:
10.36
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.
5jlt MIDDLE TRANSCRIPTION
REGULATORY PROTEIN
MOTA

(Escherichia
virus T4) 		PF09158
(MotCF) 		4 LYS A 130
LEU A 128
LEU A 121
PHE A 152
 None
 1.04A 5w97C-5jltA:
undetectable
5w97J-5jltA:
undetectable		 5w97C-5jltA:
16.67
5w97J-5jltA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		4 ARG A 254
LYS A  59
LEU A  58
PHE A 576
 None
 1.06A 5w97C-5jxkA:
1.9
5w97J-5jxkA:
undetectable		 5w97C-5jxkA:
14.94
5w97J-5jxkA:
5.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jxu DYP-TYPE PEROXIDASE
FAMILY

(Thermomonospora
curvata) 		PF04261
(Dyp_perox) 		4 LEU A  75
PHE A 189
LEU A 163
PHE A 125
 None
 1.13A 5w97C-5jxuA:
undetectable
5w97J-5jxuA:
undetectable		 5w97C-5jxuA:
20.49
5w97J-5jxuA:
10.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k04 UNCHARACTERIZED
PROTEIN

(Candida
albicans) 		PF09797
(NatB_MDM20) 		4 ARG A 138
LEU A 142
PHE A 146
PHE A 177
 None
 1.08A 5w97C-5k04A:
undetectable
5w97J-5k04A:
undetectable		 5w97C-5k04A:
16.13
5w97J-5k04A:
7.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kis RHS2

(Yersinia
entomophaga) 		no annotation 4 ARG B 529
LYS B 515
LEU B 514
LEU B 199
 None
 1.08A 5w97C-5kisB:
undetectable
5w97J-5kisB:
undetectable		 5w97C-5kisB:
12.64
5w97J-5kisB:
5.14
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.
5ksw DIHYDROOROTATE
DEHYDROGENASE

(Lactococcus
lactis) 		PF01180
(DHO_dh) 		4 LYS A 170
LEU A 131
LEU A 155
PHE A 145
 FMN  A 401 (-2.9A)
None
None
None
 1.00A 5w97C-5kswA:
undetectable
5w97J-5kswA:
undetectable		 5w97C-5kswA:
19.93
5w97J-5kswA:
14.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nvr TELOMERE LENGTH
REGULATOR PROTEIN
RIF1

(Saccharomyces
cerevisiae) 		PF12231
(Rif1_N) 		4 LYS A1159
LEU A1162
PHE A1166
LEU A1227
 None
 1.05A 5w97C-5nvrA:
undetectable
5w97J-5nvrA:
undetectable		 5w97C-5nvrA:
12.42
5w97J-5nvrA:
4.95
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.
5ojq HAEMOLYSIN
CO-REGULATED PROTEIN

(Vibrio cholerae) 		PF05638
(T6SS_HCP) 		4 LYS 1 114
LEU 1 115
LEU 1 146
PHE 1  70
 None
 1.05A 5w97C-5ojq1:
undetectable
5w97J-5ojq1:
undetectable		 5w97C-5ojq1:
21.66
5w97J-5ojq1:
17.45
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.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		4 LYS A 167
LEU A 170
LEU A 130
PHE A 155
 None
 0.85A 5w97C-5u47A:
undetectable
5w97J-5u47A:
undetectable		 5w97C-5u47A:
13.82
5w97J-5u47A:
6.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ulu CADHERIN-23

(Mus musculus) 		no annotation 4 LEU A2032
PHE A2033
LEU A1955
PHE A1987
 None
 1.14A 5w97C-5uluA:
undetectable
5w97J-5uluA:
undetectable		 5w97C-5uluA:
undetectable
5w97J-5uluA:
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.
5xmc E3 UBIQUITIN-PROTEIN
LIGASE ITCHY

(Mus musculus) 		PF00397
(WW)
PF00632
(HECT) 		4 LEU A 610
PHE A 611
LEU A 742
PHE A 734
 None
 1.08A 5w97C-5xmcA:
undetectable
5w97J-5xmcA:
undetectable		 5w97C-5xmcA:
15.72
5w97J-5xmcA:
5.38
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.
6c0m HEMAGGLUTININ-NEURAM
INIDASE

(Human
respirovirus 3) 		no annotation 4 LYS A 395
LEU A 394
LEU A 268
PHE A 334
 None
 1.10A 5w97C-6c0mA:
undetectable
5w97J-6c0mA:
undetectable		 5w97C-6c0mA:
undetectable
5w97J-6c0mA:
undetectable