SIMILAR PATTERNS OF AMINO ACIDS FOR 3AG2_P_CHDP1271_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.
1914 SIGNAL RECOGNITION
PARTICLE 9/14 FUSION
PROTEIN

(Mus musculus) 		PF02290
(SRP14)
PF05486
(SRP9-21) 		4 LEU A2086
PHE A2017
LEU A2013
PHE A2009
 None
 0.89A 3ag2P-1914A:
undetectable
3ag2W-1914A:
undetectable		 3ag2P-1914A:
19.40
3ag2W-1914A:
12.86
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.
1buc BUTYRYL-COA
DEHYDROGENASE

(Megasphaera
elsdenii) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.95A 3ag2P-1bucA:
1.8
3ag2W-1bucA:
0.0		 3ag2P-1bucA:
17.69
3ag2W-1bucA:
11.04
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.
1dj3 ADENYLOSUCCINATE
SYNTHETASE

(Triticum
aestivum) 		PF00709
(Adenylsucc_synt) 		4 LEU A 164
PHE A 175
LEU A 179
PHE A 183
 None
 0.79A 3ag2P-1dj3A:
undetectable
3ag2W-1dj3A:
undetectable		 3ag2P-1dj3A:
19.00
3ag2W-1dj3A:
9.50
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.
1eco ERYTHROCRUORIN
(CARBONMONOXY)

(Chironomus
thummi) 		PF00042
(Globin) 		4 GLN A  10
PHE A  13
LEU A 125
PHE A 129
 None
 1.00A 3ag2P-1ecoA:
undetectable
3ag2W-1ecoA:
0.0		 3ag2P-1ecoA:
20.00
3ag2W-1ecoA:
15.44
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.
1fq9 FIBROBLAST GROWTH
FACTOR 2

(Homo sapiens) 		PF00167
(FGF) 		4 LEU A  53
GLN A  54
LEU A  32
PHE A 139
 None
 0.97A 3ag2P-1fq9A:
undetectable
3ag2W-1fq9A:
0.0		 3ag2P-1fq9A:
19.75
3ag2W-1fq9A:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hkk CHITOTRIOSIDASE-1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 LEU A  66
GLN A  65
LEU A  94
PHE A 132
 None
 0.86A 3ag2P-1hkkA:
undetectable
3ag2W-1hkkA:
0.0		 3ag2P-1hkkA:
21.66
3ag2W-1hkkA:
12.77
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.
1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 LEU A 137
GLN A 138
PHE A 141
PHE A 178
 None
 0.97A 3ag2P-1ji6A:
2.9
3ag2W-1ji6A:
0.0		 3ag2P-1ji6A:
19.52
3ag2W-1ji6A:
7.62
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.
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
 0.90A 3ag2P-1jkwA:
undetectable
3ag2W-1jkwA:
0.0		 3ag2P-1jkwA:
20.52
3ag2W-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.
1js6 DOPA DECARBOXYLASE

(Sus scrofa) 		PF00282
(Pyridoxal_deC) 		4 LEU A 114
PHE A 357
LEU A 360
PHE A 364
 None
 0.99A 3ag2P-1js6A:
undetectable
3ag2W-1js6A:
0.0		 3ag2P-1js6A:
19.84
3ag2W-1js6A:
7.84
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		4 LEU A  20
GLN A 159
PHE A  22
LEU A 165
 None
None
NDP  A 194 (-3.6A)
None
 0.97A 3ag2P-1juvA:
undetectable
3ag2W-1juvA:
undetectable		 3ag2P-1juvA:
18.99
3ag2W-1juvA:
16.49
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.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 ARG A 217
LEU A 221
GLN A 223
LEU A 287
 None
 0.95A 3ag2P-1lnlA:
undetectable
3ag2W-1lnlA:
undetectable		 3ag2P-1lnlA:
20.98
3ag2W-1lnlA:
7.60
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.
1ovl ORPHAN NUCLEAR
RECEPTOR NURR1 (MSE
496, 511)

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 LEU B 570
GLN B 571
PHE B 574
PHE B 592
 None
 0.65A 3ag2P-1ovlB:
undetectable
3ag2W-1ovlB:
undetectable		 3ag2P-1ovlB:
19.94
3ag2W-1ovlB:
11.79
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.
1rrh SEED LIPOXYGENASE-3

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 LEU A 130
PHE A 161
PHE A 115
LEU A  60
 None
 0.99A 3ag2P-1rrhA:
undetectable
3ag2W-1rrhA:
undetectable		 3ag2P-1rrhA:
15.87
3ag2W-1rrhA:
6.85
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.
1snx TYROSINE-PROTEIN
KINASE ITK/TSK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 418
GLN A 420
PHE A 501
LEU A 473
 None
 0.76A 3ag2P-1snxA:
2.0
3ag2W-1snxA:
undetectable		 3ag2P-1snxA:
19.44
3ag2W-1snxA:
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.
1svr SEVERIN

(Dictyostelium
discoideum) 		PF00626
(Gelsolin) 		4 GLN A 200
PHE A 201
PHE A 245
LEU A 249
 None
 0.85A 3ag2P-1svrA:
undetectable
3ag2W-1svrA:
undetectable		 3ag2P-1svrA:
17.37
3ag2W-1svrA:
26.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.91A 3ag2P-1u8vA:
3.8
3ag2W-1u8vA:
undetectable		 3ag2P-1u8vA:
19.70
3ag2W-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.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 LEU A  66
GLN A  65
LEU A  94
PHE A 132
 None
 0.79A 3ag2P-1wb0A:
undetectable
3ag2W-1wb0A:
undetectable		 3ag2P-1wb0A:
19.69
3ag2W-1wb0A:
9.22
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.
1xho CHORISMATE MUTASE

(Ruminiclostridium
thermocellum) 		PF07736
(CM_1) 		4 ARG A  62
GLN A  24
PHE A  46
LEU A  71
 None
 0.87A 3ag2P-1xhoA:
undetectable
3ag2W-1xhoA:
undetectable		 3ag2P-1xhoA:
17.72
3ag2W-1xhoA:
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.
1zes PHOSPHATE REGULON
TRANSCRIPTIONAL
REGULATORY PROTEIN
PHOB

(Escherichia
coli) 		PF00072
(Response_reg) 		4 LEU A  42
GLN A  41
PHE A  64
LEU A  68
 None
 0.80A 3ag2P-1zesA:
undetectable
3ag2W-1zesA:
undetectable		 3ag2P-1zesA:
16.80
3ag2W-1zesA:
20.16
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.
2buk COAT PROTEIN

(unidentified
tobacco
necrosis virus) 		PF03898
(TNV_CP) 		4 LEU A 174
GLN A  45
PHE A 172
PHE A  90
 None
 0.84A 3ag2P-2bukA:
undetectable
3ag2W-2bukA:
undetectable		 3ag2P-2bukA:
21.37
3ag2W-2bukA:
15.54
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.
2dpy FLAGELLUM-SPECIFIC
ATP SYNTHASE

(Salmonella
enterica) 		PF00006
(ATP-synt_ab) 		4 LEU A 428
PHE A 431
PHE A 391
LEU A 395
 None
 0.93A 3ag2P-2dpyA:
undetectable
3ag2W-2dpyA:
undetectable		 3ag2P-2dpyA:
20.50
3ag2W-2dpyA:
7.97
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.
2fnu AMINOTRANSFERASE

(Helicobacter
pylori) 		PF01041
(DegT_DnrJ_EryC1) 		4 LEU A 243
GLN A 242
PHE A  37
LEU A  41
 None
 0.83A 3ag2P-2fnuA:
undetectable
3ag2W-2fnuA:
undetectable		 3ag2P-2fnuA:
20.38
3ag2W-2fnuA:
10.68
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.
2gnp TRANSCRIPTIONAL
REGULATOR

(Streptococcus
pneumoniae) 		PF04198
(Sugar-bind) 		4 LEU A 258
GLN A 259
LEU A 225
PHE A 230
 None
 0.72A 3ag2P-2gnpA:
undetectable
3ag2W-2gnpA:
undetectable		 3ag2P-2gnpA:
19.19
3ag2W-2gnpA:
14.17
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.
2haj DNA PRIMASE

(Escherichia
coli) 		PF08278
(DnaG_DnaB_bind) 		4 LEU A 454
PHE A 535
LEU A 539
PHE A 543
 None
 0.95A 3ag2P-2hajA:
undetectable
3ag2W-2hajA:
undetectable		 3ag2P-2hajA:
19.01
3ag2W-2hajA:
16.89
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.
2ibd POSSIBLE
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N) 		4 LEU A 131
PHE A 135
PHE A  74
LEU A  70
 None
 0.84A 3ag2P-2ibdA:
undetectable
3ag2W-2ibdA:
undetectable		 3ag2P-2ibdA:
24.73
3ag2W-2ibdA:
12.75
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.
2iop CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		4 LEU A 382
PHE A 378
PHE A 374
LEU A 360
 None
 0.94A 3ag2P-2iopA:
undetectable
3ag2W-2iopA:
undetectable		 3ag2P-2iopA:
16.83
3ag2W-2iopA:
8.76
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.
2o3e NEUROLYSIN

(Rattus
norvegicus) 		PF01432
(Peptidase_M3) 		4 LEU A 257
GLN A 258
LEU A 602
PHE A 599
 None
 0.79A 3ag2P-2o3eA:
5.0
3ag2W-2o3eA:
undetectable		 3ag2P-2o3eA:
17.94
3ag2W-2o3eA:
6.19
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.
2oaa R.MVAI

(Kocuria varians) 		PF15515
(MvaI_BcnI) 		4 LEU A 156
GLN A 155
LEU A 190
PHE A 187
 None
 0.94A 3ag2P-2oaaA:
undetectable
3ag2W-2oaaA:
undetectable		 3ag2P-2oaaA:
20.00
3ag2W-2oaaA:
13.96
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.
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
 0.71A 3ag2P-2optA:
3.1
3ag2W-2optA:
undetectable		 3ag2P-2optA:
23.19
3ag2W-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.
2pn1 CARBAMOYLPHOSPHATE
SYNTHASE LARGE
SUBUNIT

(Exiguobacterium
sibiricum) 		PF02655
(ATP-grasp_3) 		4 LEU A 289
GLN A 288
PHE A  21
LEU A  76
 None
 0.84A 3ag2P-2pn1A:
undetectable
3ag2W-2pn1A:
undetectable		 3ag2P-2pn1A:
20.12
3ag2W-2pn1A:
9.61
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.
2riu 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE

(Candida
albicans) 		PF00926
(DHBP_synthase) 		4 LEU A 113
PHE A  93
PHE A 123
LEU A  70
 None
 0.93A 3ag2P-2riuA:
undetectable
3ag2W-2riuA:
undetectable		 3ag2P-2riuA:
21.66
3ag2W-2riuA:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xt6 2-OXOGLUTARATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00198
(2-oxoacid_dh)
PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		4 LEU A1146
GLN A1142
PHE A1180
LEU A1184
 None
 0.86A 3ag2P-2xt6A:
undetectable
3ag2W-2xt6A:
undetectable		 3ag2P-2xt6A:
12.79
3ag2W-2xt6A:
4.88
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.
3ay5 CYCLIN-D1-BINDING
PROTEIN 1

(Homo sapiens) 		PF13324
(GCIP) 		4 GLN A 161
PHE A  99
LEU A  56
PHE A  52
 None
 1.01A 3ag2P-3ay5A:
4.8
3ag2W-3ay5A:
undetectable		 3ag2P-3ay5A:
21.94
3ag2W-3ay5A:
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.
3ba3 PYRIDOXAMINE
5'-PHOSPHATE
OXIDASE-LIKE PROTEIN

(Lactobacillus
plantarum) 		no annotation 5 LEU A 123
GLN A  87
PHE A 121
PHE A  45
LEU A  18
 None
 0.92A 3ag2P-3ba3A:
undetectable
3ag2W-3ba3A:
undetectable		 3ag2P-3ba3A:
21.19
3ag2W-3ba3A:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3deg GTP-BINDING PROTEIN
LEPA

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF06421
(LepA_C) 		4 LEU C  73
PHE C  75
PHE C   7
LEU C 176
 None
 0.98A 3ag2P-3degC:
undetectable
3ag2W-3degC:
undetectable		 3ag2P-3degC:
17.43
3ag2W-3degC:
7.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eyk HEMAGGLUTININ HA1
CHAIN

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 LEU A 118
GLN A  80
PHE A 120
LEU A 112
 None
 0.98A 3ag2P-3eykA:
undetectable
3ag2W-3eykA:
undetectable		 3ag2P-3eykA:
21.21
3ag2W-3eykA:
11.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g1z PUTATIVE LYSYL-TRNA
SYNTHETASE

(Salmonella
enterica) 		PF00152
(tRNA-synt_2) 		5 ARG A 188
LEU A 192
GLN A 193
PHE A 196
PHE A 153
 None
 0.97A 3ag2P-3g1zA:
undetectable
3ag2W-3g1zA:
undetectable		 3ag2P-3g1zA:
20.94
3ag2W-3g1zA:
9.85
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.
3gkj NIEMANN-PICK C1
PROTEIN

(Homo sapiens) 		PF16414
(NPC1_N) 		4 LEU A  87
GLN A  88
PHE A 101
LEU A 105
 None
 0.96A 3ag2P-3gkjA:
undetectable
3ag2W-3gkjA:
undetectable		 3ag2P-3gkjA:
19.23
3ag2W-3gkjA:
12.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hjr EXTRACELLULAR SERINE
PROTEASE

(Aeromonas
sobria) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		4 LEU A 196
GLN A 193
PHE A 200
LEU A 162
 None
 0.99A 3ag2P-3hjrA:
undetectable
3ag2W-3hjrA:
undetectable		 3ag2P-3hjrA:
17.67
3ag2W-3hjrA:
6.00
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.
3i3t UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 21

(Homo sapiens) 		PF00443
(UCH) 		4 LEU A 378
GLN A 453
PHE A 397
LEU A 400
 None
 1.00A 3ag2P-3i3tA:
undetectable
3ag2W-3i3tA:
undetectable		 3ag2P-3i3tA:
21.07
3ag2W-3i3tA:
9.68
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.
3jd8 NIEMANN-PICK C1
PROTEIN

(Homo sapiens) 		PF02460
(Patched)
PF12349
(Sterol-sensing)
PF16414
(NPC1_N) 		4 LEU A  87
GLN A  88
PHE A 101
LEU A 105
 None
NAG  A1305 (-2.9A)
None
None
 0.97A 3ag2P-3jd8A:
3.5
3ag2W-3jd8A:
undetectable		 3ag2P-3jd8A:
10.18
3ag2W-3jd8A:
4.75
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.
3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2

(Homo sapiens) 		PF02020
(W2)
PF02847
(MA3) 		4 LEU A 106
GLN A 108
PHE A  85
LEU A  89
 None
 0.90A 3ag2P-3l6aA:
undetectable
3ag2W-3l6aA:
undetectable		 3ag2P-3l6aA:
20.70
3ag2W-3l6aA:
9.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lcr TAUTOMYCETIN
BIOSYNTHETIC PKS

(Streptomyces
sp. CK4412) 		PF00975
(Thioesterase) 		4 LEU A 229
PHE A 174
LEU A 178
PHE A 182
 None
 0.90A 3ag2P-3lcrA:
undetectable
3ag2W-3lcrA:
undetectable		 3ag2P-3lcrA:
20.45
3ag2W-3lcrA:
9.09
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.
3lg6 PUTATIVE GLUTATHIONE
TRANSFERASE

(Coccidioides
immitis) 		PF13409
(GST_N_2)
PF14497
(GST_C_3) 		4 LEU A   8
PHE A   6
PHE A  24
LEU A  20
 None
 0.92A 3ag2P-3lg6A:
2.5
3ag2W-3lg6A:
undetectable		 3ag2P-3lg6A:
20.29
3ag2W-3lg6A:
15.23
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.
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF00342
(PGI) 		4 LEU A  15
GLN A  16
PHE A  19
LEU A  66
 None
 0.68A 3ag2P-3nbuA:
undetectable
3ag2W-3nbuA:
undetectable		 3ag2P-3nbuA:
18.63
3ag2W-3nbuA:
8.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oun PUTATIVE
UNCHARACTERIZED
PROTEIN TB39.8

(Mycobacterium
tuberculosis) 		PF00498
(FHA) 		4 LEU A  24
GLN A  23
PHE A  49
LEU A  51
 None
 0.91A 3ag2P-3ounA:
undetectable
3ag2W-3ounA:
undetectable		 3ag2P-3ounA:
19.85
3ag2W-3ounA:
15.29
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.
3poa PUTATIVE
UNCHARACTERIZED
PROTEIN TB39.8

(Mycobacterium
tuberculosis) 		PF00498
(FHA) 		4 LEU A  10
GLN A   9
PHE A  35
LEU A  37
 None
 1.00A 3ag2P-3poaA:
undetectable
3ag2W-3poaA:
undetectable		 3ag2P-3poaA:
17.99
3ag2W-3poaA:
14.42
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.
3rd5 MYPAA.01249.C

(Mycobacterium
avium) 		PF00106
(adh_short) 		4 ARG A 131
LEU A 191
PHE A 246
LEU A 241
 None
 1.01A 3ag2P-3rd5A:
undetectable
3ag2W-3rd5A:
undetectable		 3ag2P-3rd5A:
21.79
3ag2W-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.
3tcm ALANINE
AMINOTRANSFERASE 2

(Hordeum vulgare) 		PF00155
(Aminotran_1_2) 		4 ARG A 214
LEU A 210
GLN A 209
PHE A 247
 None
 1.00A 3ag2P-3tcmA:
undetectable
3ag2W-3tcmA:
undetectable		 3ag2P-3tcmA:
18.40
3ag2W-3tcmA:
9.03
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.
3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME

(Mycolicibacterium
smegmatis) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		4 LEU A1146
GLN A1142
PHE A1180
LEU A1184
 None
MPD  A2228 (-3.2A)
None
None
 0.84A 3ag2P-3zhrA:
undetectable
3ag2W-3zhrA:
undetectable		 3ag2P-3zhrA:
14.22
3ag2W-3zhrA:
6.02
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.
4c8q DNA TOPOISOMERASE
2-ASSOCIATED PROTEIN
PAT1

(Saccharomyces
cerevisiae) 		PF09770
(PAT1) 		4 LEU H 562
PHE H 587
LEU H 527
PHE H 523
 None
 0.82A 3ag2P-4c8qH:
undetectable
3ag2W-4c8qH:
undetectable		 3ag2P-4c8qH:
19.40
3ag2W-4c8qH:
9.88
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.
4d0o A-KINASE ANCHOR
PROTEIN 13

(Homo sapiens) 		PF00621
(RhoGEF) 		4 GLN A2008
PHE A2011
PHE A2057
LEU A2061
 None
 0.62A 3ag2P-4d0oA:
3.5
3ag2W-4d0oA:
undetectable		 3ag2P-4d0oA:
17.79
3ag2W-4d0oA:
13.75
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.
4dpz HRAS-LIKE SUPPRESSOR
2

(Homo sapiens) 		PF04970
(LRAT) 		4 ARG X2095
GLN X2102
PHE X2116
LEU X2120
 None
 0.99A 3ag2P-4dpzX:
undetectable
3ag2W-4dpzX:
undetectable		 3ag2P-4dpzX:
18.93
3ag2W-4dpzX:
17.99
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.
4e1e FARNESYL
PYROPHOSPHATE
SYNTHASE

(Trypanosoma
cruzi) 		PF00348
(polyprenyl_synt) 		4 LEU A 215
PHE A 210
LEU A 155
PHE A 222
 None
 0.98A 3ag2P-4e1eA:
1.7
3ag2W-4e1eA:
undetectable		 3ag2P-4e1eA:
20.44
3ag2W-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.
4e5t MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME, C-TERMINAL
DOMAIN PROTEIN

(Labrenzia
alexandrii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A 321
PHE A  23
PHE A  25
LEU A 376
 None
 0.91A 3ag2P-4e5tA:
undetectable
3ag2W-4e5tA:
undetectable		 3ag2P-4e5tA:
21.58
3ag2W-4e5tA:
9.37
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.
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)
 0.93A 3ag2P-4flxA:
2.6
3ag2W-4flxA:
undetectable		 3ag2P-4flxA:
13.49
3ag2W-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.
4fqg TRANSCRIPTION
ELONGATION REGULATOR
1

(Homo sapiens) 		PF01846
(FF) 		4 LEU A 160
GLN A 161
PHE A 128
LEU A 132
 None
 0.78A 3ag2P-4fqgA:
undetectable
3ag2W-4fqgA:
undetectable		 3ag2P-4fqgA:
18.08
3ag2W-4fqgA:
16.13
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.
4hdo KREV INTERACTION
TRAPPED PROTEIN 1

(Homo sapiens) 		PF00373
(FERM_M) 		4 LEU A 621
GLN A 622
PHE A 625
LEU A 608
 None
 0.94A 3ag2P-4hdoA:
undetectable
3ag2W-4hdoA:
undetectable		 3ag2P-4hdoA:
20.67
3ag2W-4hdoA:
14.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hqf THROMBOSPONDIN-RELAT
ED ANONYMOUS
PROTEIN, TRAP

(Plasmodium
falciparum) 		PF00092
(VWA) 		4 ARG A 176
LEU A 172
PHE A 198
LEU A 202
 None
 1.00A 3ag2P-4hqfA:
undetectable
3ag2W-4hqfA:
undetectable		 3ag2P-4hqfA:
20.74
3ag2W-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.
4ma5 PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Francisella
tularensis) 		PF02222
(ATP-grasp) 		4 LEU A 137
GLN A 149
PHE A 150
LEU A 124
 None
ANP  A 401 ( 4.5A)
None
None
 0.91A 3ag2P-4ma5A:
undetectable
3ag2W-4ma5A:
undetectable		 3ag2P-4ma5A:
22.16
3ag2W-4ma5A:
13.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oca UDP-4-AMINO-4-DEOXY-
L-ARABINOSE--OXOGLUT
ARATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF01041
(DegT_DnrJ_EryC1) 		4 LEU A 256
GLN A 255
PHE A  48
LEU A  51
 None
 0.89A 3ag2P-4ocaA:
undetectable
3ag2W-4ocaA:
undetectable		 3ag2P-4ocaA:
21.12
3ag2W-4ocaA:
10.46
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.
4r0m MCYG PROTEIN

(Microcystis
aeruginosa) 		no annotation 5 LEU B  75
GLN B  76
PHE B  83
LEU B  87
PHE B  91
 None
 1.30A 3ag2P-4r0mB:
undetectable
3ag2W-4r0mB:
undetectable		 3ag2P-4r0mB:
17.42
3ag2W-4r0mB:
7.39
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.
4rgp CSM6_III-A

(Streptococcus
mutans) 		PF09659
(Cas_Csm6) 		4 LEU A 221
PHE A 220
PHE A  98
LEU A  86
 None
 0.94A 3ag2P-4rgpA:
2.1
3ag2W-4rgpA:
undetectable		 3ag2P-4rgpA:
20.82
3ag2W-4rgpA:
13.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rnc ESTERASE

(Rhodococcus sp.
ECU1013) 		PF12697
(Abhydrolase_6) 		4 ARG A 196
LEU A 163
PHE A 185
LEU A 189
 None
 0.87A 3ag2P-4rncA:
undetectable
3ag2W-4rncA:
undetectable		 3ag2P-4rncA:
21.32
3ag2W-4rncA:
10.39
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.
4roa SERPIN 2

(Anopheles
gambiae) 		PF00079
(Serpin) 		4 ARG A 384
LEU A 262
PHE A 260
PHE A 380
 None
 0.99A 3ag2P-4roaA:
undetectable
3ag2W-4roaA:
undetectable		 3ag2P-4roaA:
20.50
3ag2W-4roaA:
10.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rph UDP-GALACTOPYRANOSE
MUTASE

(Mycobacterium
tuberculosis) 		no annotation 4 LEU B 108
GLN B 101
PHE B 157
LEU B 153
 None
 0.97A 3ag2P-4rphB:
undetectable
3ag2W-4rphB:
undetectable		 3ag2P-4rphB:
19.55
3ag2W-4rphB:
9.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4us5 LUCIFERASE-LIKE
MONOOXYGENASE

(Streptomyces
bottropensis) 		PF00296
(Bac_luciferase) 		4 LEU A 140
GLN A 139
LEU A 103
PHE A  90
 None
 0.98A 3ag2P-4us5A:
undetectable
3ag2W-4us5A:
undetectable		 3ag2P-4us5A:
20.29
3ag2W-4us5A:
10.81
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.
4x00 PUTATIVE HYDROLASE

(Burkholderia
cenocepacia) 		PF12697
(Abhydrolase_6) 		4 LEU A  59
GLN A  60
LEU A 273
PHE A 269
 None
 0.91A 3ag2P-4x00A:
undetectable
3ag2W-4x00A:
undetectable		 3ag2P-4x00A:
21.50
3ag2W-4x00A:
12.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgt FRQ-INTERACTING RNA
HELICASE

(Neurospora
crassa) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF08148
(DSHCT)
PF13234
(rRNA_proc-arch) 		4 LEU A 524
GLN A 526
PHE A 525
LEU A 502
 None
 0.91A 3ag2P-4xgtA:
undetectable
3ag2W-4xgtA:
undetectable		 3ag2P-4xgtA:
12.69
3ag2W-4xgtA:
6.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a7d INSCUTEABLE

(Drosophila
melanogaster) 		no annotation 5 LEU L 356
GLN L 357
PHE L 399
LEU L 403
PHE L 410
 None
 1.21A 3ag2P-5a7dL:
6.6
3ag2W-5a7dL:
undetectable		 3ag2P-5a7dL:
19.25
3ag2W-5a7dL:
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.
5ady GTPASE HFLX

(Escherichia
coli) 		PF01926
(MMR_HSR1)
PF13167
(GTP-bdg_N)
PF16360
(GTP-bdg_M) 		4 LEU 6 402
GLN 6 403
PHE 6 383
LEU 6 379
 None
 0.82A 3ag2P-5ady6:
3.1
3ag2W-5ady6:
undetectable		 3ag2P-5ady6:
18.29
3ag2W-5ady6:
10.34
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.
5aox SIGNAL RECOGNITION
PARTICLE 14 KDA
PROTEIN

(Homo sapiens) 		PF02290
(SRP14) 		4 LEU B  86
PHE B  17
LEU B  13
PHE B   9
 None
 0.90A 3ag2P-5aoxB:
undetectable
3ag2W-5aoxB:
undetectable		 3ag2P-5aoxB:
17.86
3ag2W-5aoxB:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bza BETA-N-ACETYLHEXOSAM
INIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3) 		4 GLN A 460
PHE A 459
PHE A 378
LEU A 343
 None
 0.83A 3ag2P-5bzaA:
undetectable
3ag2W-5bzaA:
undetectable		 3ag2P-5bzaA:
17.12
3ag2W-5bzaA:
10.24
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.
5bza BETA-N-ACETYLHEXOSAM
INIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3) 		4 LEU A 463
GLN A 460
PHE A 378
LEU A 343
 None
 0.88A 3ag2P-5bzaA:
undetectable
3ag2W-5bzaA:
undetectable		 3ag2P-5bzaA:
17.12
3ag2W-5bzaA:
10.24
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.
5ckm MANNAN-BINDING
LECTIN SERINE
PEPTIDASE 2

(Rattus
norvegicus) 		PF00431
(CUB)
PF07645
(EGF_CA) 		4 ARG A  80
LEU A  70
PHE A 111
PHE A  42
 None
 0.97A 3ag2P-5ckmA:
undetectable
3ag2W-5ckmA:
undetectable		 3ag2P-5ckmA:
22.33
3ag2W-5ckmA:
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.
5du9 CDA PEPTIDE
SYNTHETASE I

(Streptomyces
coelicolor) 		PF00668
(Condensation) 		4 LEU A 423
GLN A 424
PHE A 427
LEU A 229
 None
 0.68A 3ag2P-5du9A:
undetectable
3ag2W-5du9A:
undetectable		 3ag2P-5du9A:
20.97
3ag2W-5du9A:
7.92
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.
5e0c CELLULASE

(Bacillus sp.
BG-CS10) 		PF00150
(Cellulase)
PF03442
(CBM_X2) 		4 LEU A 429
GLN A 428
PHE A 427
LEU A 400
 None
 1.00A 3ag2P-5e0cA:
undetectable
3ag2W-5e0cA:
undetectable		 3ag2P-5e0cA:
20.19
3ag2W-5e0cA:
8.37
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.
5eyt ADENYLOSUCCINATE
LYASE

(Schistosoma
mansoni) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		4 LEU A  47
PHE A  49
PHE A 207
LEU A 217
 None
 0.95A 3ag2P-5eytA:
3.8
3ag2W-5eytA:
undetectable		 3ag2P-5eytA:
18.88
3ag2W-5eytA:
9.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g4q DNA POLYMERASE III
SUBUNIT BETA

(Helicobacter
pylori) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		4 LEU A 183
GLN A 182
LEU A 134
PHE A 138
 None
 0.96A 3ag2P-5g4qA:
undetectable
3ag2W-5g4qA:
undetectable		 3ag2P-5g4qA:
20.21
3ag2W-5g4qA:
9.36
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.
5gsm EXO-BETA-D-GLUCOSAMI
NIDASE

(Thermococcus
kodakarensis) 		PF02449
(Glyco_hydro_42) 		4 LEU A  25
GLN A  26
PHE A  27
LEU A  39
 None
 0.94A 3ag2P-5gsmA:
undetectable
3ag2W-5gsmA:
undetectable		 3ag2P-5gsmA:
16.50
3ag2W-5gsmA:
6.61
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.
5ipx ORF49 PROTEIN

(Human
gammaherpesvirus
8) 		PF04793
(Herpes_BBRF1) 		4 LEU A  87
PHE A 204
LEU A 208
PHE A 212
 None
 0.93A 3ag2P-5ipxA:
7.2
3ag2W-5ipxA:
undetectable		 3ag2P-5ipxA:
20.47
3ag2W-5ipxA:
11.04
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
LEU C 160
PHE C 164
PHE C 219
LEU C 223
 CHD  C 307 (-4.0A)
CHD  C 307 ( 3.9A)
CHD  C 307 (-3.9A)
None
None
 0.13A 3ag2P-5iy5C:
37.4
3ag2W-5iy5C:
undetectable		 3ag2P-5iy5C:
100.00
3ag2W-5iy5C:
10.36
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 LEU C 160
GLN C 161
PHE C 164
PHE C 219
LEU C 223
 CHD  C 307 ( 3.9A)
CHD  C 307 (-4.3A)
CHD  C 307 (-3.9A)
None
None
 0.51A 3ag2P-5iy5C:
37.4
3ag2W-5iy5C:
undetectable		 3ag2P-5iy5C:
100.00
3ag2W-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.
5jbg LGP2

(Gallus gallus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		4 LEU A 335
GLN A 336
PHE A 229
LEU A 233
 None
 0.65A 3ag2P-5jbgA:
undetectable
3ag2W-5jbgA:
undetectable		 3ag2P-5jbgA:
15.81
3ag2W-5jbgA:
6.45
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.
5jbg LGP2

(Gallus gallus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		4 LEU A 385
PHE A 434
LEU A 432
PHE A 360
 None
 0.86A 3ag2P-5jbgA:
undetectable
3ag2W-5jbgA:
undetectable		 3ag2P-5jbgA:
15.81
3ag2W-5jbgA:
6.45
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.
5jcv LMO2181 PROTEIN

(Listeria
monocytogenes) 		PF04203
(Sortase) 		4 LEU A 223
GLN A 240
PHE A 159
LEU A  78
 None
 0.98A 3ag2P-5jcvA:
undetectable
3ag2W-5jcvA:
undetectable		 3ag2P-5jcvA:
18.77
3ag2W-5jcvA:
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.
5ju6 BETA-GLUCOSIDASE

(Rasamsonia
emersonii) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ARG A  82
LEU A  83
PHE A  50
LEU A  54
 None
 0.87A 3ag2P-5ju6A:
undetectable
3ag2W-5ju6A:
undetectable		 3ag2P-5ju6A:
13.89
3ag2W-5ju6A:
5.28
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.
5lmg DNA TOPOISOMERASE
2-ASSOCIATED PROTEIN
PAT1

(Saccharomyces
cerevisiae) 		PF09770
(PAT1) 		4 LEU A 562
PHE A 587
LEU A 527
PHE A 523
 None
 0.96A 3ag2P-5lmgA:
1.9
3ag2W-5lmgA:
undetectable		 3ag2P-5lmgA:
18.33
3ag2W-5lmgA:
11.23
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.
5lsk PROTEIN MIS12
HOMOLOG
POLYAMINE-MODULATED
FACTOR 1

(Homo sapiens;
Homo sapiens) 		PF05859
(Mis12)
PF03980
(Nnf1) 		4 LEU A  78
PHE A  79
PHE B  45
LEU B  49
 None
 0.88A 3ag2P-5lskA:
2.7
3ag2W-5lskA:
2.7		 3ag2P-5lskA:
21.82
3ag2W-5lskA:
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.
5m30 TYPE VI SECRETION
PROTEIN

(Escherichia
coli) 		PF05936
(T6SS_VasE) 		4 LEU A  54
GLN A 177
LEU A  59
PHE A  49
 None
 1.00A 3ag2P-5m30A:
2.1
3ag2W-5m30A:
undetectable		 3ag2P-5m30A:
17.82
3ag2W-5m30A:
8.25
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.
5m7o NITROGEN
ASSIMILATION
REGULATORY PROTEIN

(Brucella
abortus) 		PF00072
(Response_reg)
PF00158
(Sigma54_activat)
PF02954
(HTH_8) 		4 LEU A 358
GLN A 357
PHE A 323
LEU A 319
 None
 0.95A 3ag2P-5m7oA:
undetectable
3ag2W-5m7oA:
undetectable		 3ag2P-5m7oA:
17.83
3ag2W-5m7oA:
7.59
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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN5

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		4 LEU P 181
GLN P 183
PHE P 179
LEU P 216
 None
 0.99A 3ag2P-5mpdP:
undetectable
3ag2W-5mpdP:
undetectable		 3ag2P-5mpdP:
19.87
3ag2W-5mpdP:
8.24
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.
5nbs BETA-GLUCOSIDASE

(Neurospora
crassa) 		no annotation 4 ARG A  78
LEU A  79
PHE A  46
LEU A  50
 None
 0.94A 3ag2P-5nbsA:
undetectable
3ag2W-5nbsA:
undetectable		 3ag2P-5nbsA:
undetectable
3ag2W-5nbsA:
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.
5uvn PARAQUAT-INDUCIBLE
PROTEIN B

(Escherichia
coli) 		PF02470
(MlaD) 		4 LEU A 202
GLN A 201
PHE A 203
PHE A 250
 None
 0.96A 3ag2P-5uvnA:
undetectable
3ag2W-5uvnA:
undetectable		 3ag2P-5uvnA:
20.54
3ag2W-5uvnA:
11.78
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.
5uxx RNA POLYMERASE SIGMA
FACTOR

(Bartonella
quintana) 		no annotation 4 LEU A 156
GLN A 157
PHE A 106
LEU A 110
 None
 0.91A 3ag2P-5uxxA:
undetectable
3ag2W-5uxxA:
undetectable		 3ag2P-5uxxA:
undetectable
3ag2W-5uxxA:
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.
5xgu RIBONUCLEASE R

(Escherichia
coli) 		no annotation 4 LEU B 449
GLN B 450
PHE B 411
LEU B 415
 None
 0.82A 3ag2P-5xguB:
undetectable
3ag2W-5xguB:
undetectable		 3ag2P-5xguB:
15.24
3ag2W-5xguB:
6.59
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.
5xjj MULTI DRUG EFFLUX
TRANSPORTER

(Camelina sativa) 		PF01554
(MatE) 		4 LEU A 348
PHE A 344
PHE A 380
LEU A 376
 None
 0.88A 3ag2P-5xjjA:
3.3
3ag2W-5xjjA:
undetectable		 3ag2P-5xjjA:
22.22
3ag2W-5xjjA:
8.46
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT

(Komagataella
phaffii) 		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) 		4 LEU A 868
GLN A 866
PHE A 867
LEU A1002
 None
 0.82A 3ag2P-5xogA:
3.9
3ag2W-5xogA:
undetectable		 3ag2P-5xogA:
9.55
3ag2W-5xogA:
3.28
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.
5xp0 PROBABLE CSGAB
OPERON
TRANSCRIPTIONAL
REGULATORY PROTEIN

(Salmonella
enterica) 		no annotation 4 LEU A 121
GLN A 122
PHE A 108
LEU A  85
 None
 0.97A 3ag2P-5xp0A:
undetectable
3ag2W-5xp0A:
undetectable		 3ag2P-5xp0A:
undetectable
3ag2W-5xp0A:
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.
6cc4 SOLUBLE CYTOCHROME
B562, LIPID II
FLIPPASE MURJ
CHIMERA

(Escherichia
coli) 		no annotation 4 LEU A 271
PHE A 274
PHE A  22
LEU A 336
 None
 0.85A 3ag2P-6cc4A:
2.7
3ag2W-6cc4A:
undetectable		 3ag2P-6cc4A:
undetectable
3ag2W-6cc4A:
undetectable