SIMILAR PATTERNS OF AMINO ACIDS FOR 4AFT_D_QMRD301_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ce7 PROTEIN
(RIBOSOME-INACTIVATI
NG PROTEIN TYPE II)

(Viscum album) 		PF00161
(RIP) 		4 TYR A 186
VAL A 230
VAL A 201
ILE A 213
 None
 1.12A 4aftD-1ce7A:
0.0
4aftE-1ce7A:
0.0		 4aftD-1ce7A:
22.90
4aftE-1ce7A:
22.90
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.
1cyg CYCLODEXTRIN
GLUCANOTRANSFERASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 TYR A  62
TYR A  15
VAL A 338
ILE A 387
 None
 1.11A 4aftD-1cygA:
1.6
4aftE-1cygA:
2.1		 4aftD-1cygA:
15.42
4aftE-1cygA:
15.42
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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		4 VAL A 439
TYR A 237
CYH A 286
VAL A 435
 None
 1.16A 4aftD-1dgjA:
0.0
4aftE-1dgjA:
0.0		 4aftD-1dgjA:
12.61
4aftE-1dgjA:
12.61
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.
1gzg DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Pseudomonas
aeruginosa) 		PF00490
(ALAD) 		4 TYR A 289
TYR A 324
VAL A 218
ILE A  54
 None
LAF  A1337 (-4.6A)
None
None
 1.10A 4aftD-1gzgA:
0.0
4aftE-1gzgA:
0.0		 4aftD-1gzgA:
21.52
4aftE-1gzgA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h79 ANAEROBIC
RIBONUCLEOTIDE-TRIPH
OSPHATE REDUCTASE
LARGE CHAIN

(Escherichia
virus T4) 		PF13597
(NRDD) 		4 VAL A 536
TYR A 533
VAL A 523
ILE A 269
 None
 1.16A 4aftD-1h79A:
0.0
4aftE-1h79A:
0.0		 4aftD-1h79A:
17.02
4aftE-1h79A:
17.02
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.
1jp4 3'(2'),5'-BISPHOSPHA
TE NUCLEOTIDASE

(Rattus
norvegicus) 		PF00459
(Inositol_P) 		4 VAL A 237
CYH A 243
TYR A 236
VAL A 203
 None
AMP  A 601 (-4.1A)
None
None
 0.99A 4aftD-1jp4A:
0.0
4aftE-1jp4A:
0.0		 4aftD-1jp4A:
21.68
4aftE-1jp4A:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k77 HYPOTHETICAL PROTEIN
YGBM

(Escherichia
coli) 		PF01261
(AP_endonuc_2) 		4 TYR A 159
TYR A 196
VAL A 203
ILE A 175
 None
 0.95A 4aftD-1k77A:
0.0
4aftE-1k77A:
0.0		 4aftD-1k77A:
21.77
4aftE-1k77A:
21.77
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.
1mpx ALPHA-AMINO ACID
ESTER HYDROLASE

(Xanthomonas
citri) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		4 VAL A 584
TYR A 523
VAL A 486
ILE A 520
 None
 1.08A 4aftD-1mpxA:
0.0
4aftE-1mpxA:
0.0		 4aftD-1mpxA:
17.74
4aftE-1mpxA:
17.74
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.
1muu GDP-MANNOSE
6-DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 TYR A 168
CYH A  83
VAL A  79
ILE A   5
 None
 1.12A 4aftD-1muuA:
undetectable
4aftE-1muuA:
undetectable		 4aftD-1muuA:
21.00
4aftE-1muuA:
21.00
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.
1q0u BSTDEAD

(Geobacillus
stearothermophilus) 		PF00270
(DEAD) 		4 VAL A  76
TYR A  58
VAL A  73
ILE A 153
 None
 1.15A 4aftD-1q0uA:
undetectable
4aftE-1q0uA:
undetectable		 4aftD-1q0uA:
23.08
4aftE-1q0uA:
23.08
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.
1sko MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1 INTERACTING
PROTEIN 1

(Homo sapiens) 		PF08923
(MAPKK1_Int) 		4 VAL A  24
TYR A  11
VAL A  91
ILE A  34
 None
 1.17A 4aftD-1skoA:
undetectable
4aftE-1skoA:
undetectable		 4aftD-1skoA:
20.87
4aftE-1skoA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wf1 RNA-BINDING PROTEIN
RALY

(Homo sapiens) 		PF00076
(RRM_1) 		4 TYR A  69
VAL A  79
TYR A  52
ILE A  32
 None
 1.10A 4aftD-1wf1A:
undetectable
4aftE-1wf1A:
undetectable		 4aftD-1wf1A:
16.44
4aftE-1wf1A:
16.44
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.
1y6j L-LACTATE
DEHYDROGENASE

(Ruminiclostridium
thermocellum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 VAL A 106
TYR A 113
VAL A  80
ILE A  38
 None
 1.02A 4aftD-1y6jA:
undetectable
4aftE-1y6jA:
undetectable		 4aftD-1y6jA:
19.31
4aftE-1y6jA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yf8 BETA-GALACTOSIDE-SPE
CIFIC LECTIN 4

(Viscum album) 		PF00161
(RIP) 		4 TYR A 185
VAL A 229
VAL A 200
ILE A 212
 None
 1.14A 4aftD-1yf8A:
undetectable
4aftE-1yf8A:
undetectable		 4aftD-1yf8A:
22.87
4aftE-1yf8A:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus sp.
NCIMB 12038) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 TYR A  65
VAL A  62
CYH A  96
ILE A  72
 None
 1.16A 4aftD-2b24A:
undetectable
4aftE-2b24A:
undetectable		 4aftD-2b24A:
17.88
4aftE-2b24A:
17.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bj0 ACETYLCHOLINE-BINDIN
G PROTEIN

(Bulinus
truncatus) 		PF02931
(Neur_chan_LBD) 		4 TYR A  88
TRP A 142
TYR A 184
TYR A 191
 None
CXS  A1204 (-3.6A)
CXS  A1204 (-4.6A)
CXS  A1204 (-4.7A)
 0.32A 4aftD-2bj0A:
24.4
4aftE-2bj0A:
19.0		 4aftD-2bj0A:
31.30
4aftE-2bj0A:
31.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2csu 457AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF13380
(CoA_binding_2)
PF13607
(Succ_CoA_lig) 		4 VAL A  13
CYH A  84
VAL A  42
ILE A  70
 None
 1.09A 4aftD-2csuA:
undetectable
4aftE-2csuA:
undetectable		 4aftD-2csuA:
18.28
4aftE-2csuA:
18.28
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.
2cyg BETA-1, 3-GLUCANANSE

(Musa acuminata) 		PF00332
(Glyco_hydro_17) 		4 TYR A 116
VAL A 260
TYR A 307
VAL A 243
 None
 1.07A 4aftD-2cygA:
undetectable
4aftE-2cygA:
undetectable		 4aftD-2cygA:
22.26
4aftE-2cygA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 TYR A 721
VAL A 534
TYR A  50
ILE A 539
 None
 0.94A 4aftD-2d5lA:
undetectable
4aftE-2d5lA:
undetectable		 4aftD-2d5lA:
14.80
4aftE-2d5lA:
14.80
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.
2ejx STK_08120

(Sulfurisphaera
tokodaii) 		PF11485
(DUF3211) 		4 VAL A   4
TYR A  84
VAL A 112
ILE A  95
 None
 1.10A 4aftD-2ejxA:
undetectable
4aftE-2ejxA:
undetectable		 4aftD-2ejxA:
18.55
4aftE-2ejxA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ekd HYPOTHETICAL PROTEIN
PH0250

(Pyrococcus
horikoshii) 		PF03192
(DUF257) 		4 TYR A 100
VAL A  43
VAL A  70
ILE A  85
 None
 1.16A 4aftD-2ekdA:
undetectable
4aftE-2ekdA:
undetectable		 4aftD-2ekdA:
22.88
4aftE-2ekdA:
22.88
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.
2i4k SORTING NEXIN-1

(Homo sapiens) 		PF00787
(PX) 		4 TYR A 104
TYR A  53
VAL A  81
ILE A  76
 None
 0.71A 4aftD-2i4kA:
undetectable
4aftE-2i4kA:
undetectable		 4aftD-2i4kA:
20.98
4aftE-2i4kA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nt4 RESPONSE REGULATOR
HOMOLOG

(Myxococcus
xanthus) 		PF00072
(Response_reg) 		4 VAL A  51
CYH A  66
VAL A   8
ILE A  82
 None
 1.17A 4aftD-2nt4A:
undetectable
4aftE-2nt4A:
undetectable		 4aftD-2nt4A:
21.96
4aftE-2nt4A:
21.96
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.
2q34 CURF

(Moorea
producens) 		PF00378
(ECH_1) 		4 VAL A  64
CYH A 103
VAL A  28
ILE A 107
 None
 1.05A 4aftD-2q34A:
undetectable
4aftE-2q34A:
undetectable		 4aftD-2q34A:
24.44
4aftE-2q34A:
24.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qio ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		4 VAL A  11
CYH A  76
VAL A  90
ILE A  36
 None
 1.09A 4aftD-2qioA:
undetectable
4aftE-2qioA:
undetectable		 4aftD-2qioA:
22.76
4aftE-2qioA:
22.76
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.
2rdy BH0842 PROTEIN

(Bacillus
halodurans) 		PF14498
(Glyco_hyd_65N_2) 		4 TYR A 338
TYR A 292
VAL A 148
ILE A 122
 None
 1.07A 4aftD-2rdyA:
undetectable
4aftE-2rdyA:
undetectable		 4aftD-2rdyA:
14.68
4aftE-2rdyA:
14.68
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.
2taa TAKA-AMYLASE A

(Aspergillus
oryzae) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		4 TYR A 252
VAL A 293
TYR A 256
VAL A 314
 None
 1.05A 4aftD-2taaA:
undetectable
4aftE-2taaA:
undetectable		 4aftD-2taaA:
19.09
4aftE-2taaA:
19.09
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.
2taa TAKA-AMYLASE A

(Aspergillus
oryzae) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		4 VAL A 293
TYR A 256
VAL A 314
ILE A 254
 None
 1.16A 4aftD-2taaA:
undetectable
4aftE-2taaA:
undetectable		 4aftD-2taaA:
19.09
4aftE-2taaA:
19.09
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] SMALL CHAIN

(Azospirillum
brasilense) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		4 TRP G  68
VAL G 123
CYH G 104
ILE G  65
 None
None
SF4  G 482 (-2.4A)
SF4  G 483 (-4.7A)
 1.04A 4aftD-2vdcG:
undetectable
4aftE-2vdcG:
undetectable		 4aftD-2vdcG:
18.74
4aftE-2vdcG:
18.74
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.
2xsg CCMAN5

(Cellulosimicrobium
cellulans) 		PF07971
(Glyco_hydro_92) 		4 VAL A 375
TYR A 348
VAL A 412
ILE A 363
 None
 1.13A 4aftD-2xsgA:
undetectable
4aftE-2xsgA:
2.2		 4aftD-2xsgA:
14.54
4aftE-2xsgA:
14.54
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.
2yu1 JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 1A

(Homo sapiens) 		PF02373
(JmjC) 		4 VAL A 230
TYR A 274
VAL A 286
ILE A 268
 None
None
AKG  A 701 (-4.2A)
None
 1.15A 4aftD-2yu1A:
undetectable
4aftE-2yu1A:
undetectable		 4aftD-2yu1A:
18.81
4aftE-2yu1A:
18.81
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.
3ail 303AA LONG
HYPOTHETICAL
ESTERASE

(Sulfurisphaera
tokodaii) 		PF07859
(Abhydrolase_3) 		4 TYR A 109
TYR A  76
VAL A 131
ILE A  57
 None
 1.11A 4aftD-3ailA:
undetectable
4aftE-3ailA:
undetectable		 4aftD-3ailA:
20.25
4aftE-3ailA:
20.25
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.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		4 TYR A  65
TYR A  18
VAL A 342
ILE A 391
 None
 1.17A 4aftD-3bmwA:
undetectable
4aftE-3bmwA:
undetectable		 4aftD-3bmwA:
15.20
4aftE-3bmwA:
15.20
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.
3cyq CHEMOTAXIS PROTEIN
MOTB

(Helicobacter
pylori) 		no annotation 4 VAL B 187
TYR B 194
VAL B 159
ILE B 144
 None
 1.12A 4aftD-3cyqB:
undetectable
4aftE-3cyqB:
undetectable		 4aftD-3cyqB:
21.96
4aftE-3cyqB:
21.96
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.
3e9y ACETOLACTATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 TYR A 498
VAL A 533
VAL A 558
ILE A 480
 None
 1.12A 4aftD-3e9yA:
undetectable
4aftE-3e9yA:
undetectable		 4aftD-3e9yA:
19.43
4aftE-3e9yA:
19.43
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.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		4 TYR A 386
VAL A 484
VAL A 475
ILE A 448
 None
 1.08A 4aftD-3eqnA:
undetectable
4aftE-3eqnA:
undetectable		 4aftD-3eqnA:
13.72
4aftE-3eqnA:
13.72
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.
3flj UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA WITH A
CYSTATIN-LIKE FOLD

(Ruegeria
pomeroyi) 		PF12680
(SnoaL_2) 		4 VAL A  87
TYR A  61
VAL A 103
ILE A  90
 None
 1.05A 4aftD-3fljA:
undetectable
4aftE-3fljA:
undetectable		 4aftD-3fljA:
22.12
4aftE-3fljA:
22.12
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.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		4 VAL A 327
TYR A 165
VAL A 276
ILE A 273
 None
 1.14A 4aftD-3i58A:
undetectable
4aftE-3i58A:
undetectable		 4aftD-3i58A:
22.30
4aftE-3i58A:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i7a PUTATIVE
METAL-DEPENDENT
PHOSPHOHYDROLASE

(Shewanella
amazonensis) 		PF08668
(HDOD) 		4 TRP A 212
VAL A 209
VAL A 205
ILE A 228
 None
 1.10A 4aftD-3i7aA:
undetectable
4aftE-3i7aA:
undetectable		 4aftD-3i7aA:
22.57
4aftE-3i7aA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ld3 INORGANIC
PYROPHOSPHATASE

(Anaplasma
phagocytophilum) 		PF00719
(Pyrophosphatase) 		4 TYR A 142
TYR A  52
VAL A  93
ILE A 135
 PO4  A 200 (-4.6A)
None
None
None
 1.12A 4aftD-3ld3A:
undetectable
4aftE-3ld3A:
undetectable		 4aftD-3ld3A:
23.11
4aftE-3ld3A:
23.11
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.
3moi PROBABLE
DEHYDROGENASE

(Bordetella
bronchiseptica) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 TYR A 230
CYH A 214
VAL A 371
ILE A 175
 None
 1.03A 4aftD-3moiA:
undetectable
4aftE-3moiA:
undetectable		 4aftD-3moiA:
20.16
4aftE-3moiA:
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.
3os6 ISOCHORISMATE
SYNTHASE DHBC

(Bacillus
anthracis) 		PF00425
(Chorismate_bind) 		4 VAL A 249
TYR A 256
CYH A 257
VAL A 262
 None
 1.09A 4aftD-3os6A:
undetectable
4aftE-3os6A:
undetectable		 4aftD-3os6A:
17.93
4aftE-3os6A:
17.93
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.
3pl1 PYRAZINAMIDASE/NICOT
INAMIDASE PNCA
(PZASE)

(Mycobacterium
tuberculosis) 		PF00857
(Isochorismatase) 		5 TYR A  41
VAL A 130
TYR A  34
VAL A 139
ILE A   6
 None
 0.88A 4aftD-3pl1A:
undetectable
4aftE-3pl1A:
undetectable		 4aftD-3pl1A:
21.37
4aftE-3pl1A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pvl MYOSIN VIIA ISOFORM
1
USHER SYNDROME
TYPE-1G PROTEIN

(Homo sapiens;
Mus musculus) 		PF00784
(MyTH4)
no annotation 		4 VAL A1309
CYH A1326
VAL B 316
ILE A1303
 None
 1.01A 4aftD-3pvlA:
undetectable
4aftE-3pvlA:
undetectable		 4aftD-3pvlA:
17.64
4aftE-3pvlA:
17.64
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.
3rrt FUSION GLYCOPROTEIN
F0

(Human
orthopneumovirus) 		PF00523
(Fusion_gly) 		4 VAL B 450
TYR B 458
VAL B 442
ILE B 407
 None
 0.98A 4aftD-3rrtB:
undetectable
4aftE-3rrtB:
undetectable		 4aftD-3rrtB:
20.74
4aftE-3rrtB:
20.74
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.
3sd7 PUTATIVE PHOSPHATASE

(Clostridioides
difficile) 		PF13419
(HAD_2) 		4 VAL A   8
CYH A 155
VAL A 163
ILE A 104
 None
 1.10A 4aftD-3sd7A:
undetectable
4aftE-3sd7A:
undetectable		 4aftD-3sd7A:
21.60
4aftE-3sd7A:
21.60
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.
3t34 DYNAMIN-RELATED
PROTEIN 1A, LINKER,
DYNAMIN-RELATED
PROTEIN 1A

(Arabidopsis
thaliana) 		PF00350
(Dynamin_N)
PF01031
(Dynamin_M) 		4 VAL A 166
CYH A 175
VAL A  40
ILE A 141
 None
 0.89A 4aftD-3t34A:
undetectable
4aftE-3t34A:
undetectable		 4aftD-3t34A:
20.05
4aftE-3t34A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tr4 INORGANIC
PYROPHOSPHATASE

(Coxiella
burnetii) 		PF00719
(Pyrophosphatase) 		4 TYR A 140
TYR A  50
CYH A  52
ILE A 133
 None
 0.90A 4aftD-3tr4A:
undetectable
4aftE-3tr4A:
undetectable		 4aftD-3tr4A:
25.00
4aftE-3tr4A:
25.00
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.
3ufx SUCCINYL-COA
SYNTHETASE BETA
SUBUNIT

(Thermus
aquaticus) 		PF00549
(Ligase_CoA)
PF08442
(ATP-grasp_2) 		4 VAL B 296
TYR B 243
VAL B 302
ILE B 252
 None
 1.16A 4aftD-3ufxB:
undetectable
4aftE-3ufxB:
undetectable		 4aftD-3ufxB:
17.33
4aftE-3ufxB:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vbj GALACTOSIDE
O-ACETYLTRANSFERASE

(Bacillus cereus) 		PF00132
(Hexapep) 		4 VAL A 118
TYR A  78
VAL A  89
ILE A 138
 None
 1.12A 4aftD-3vbjA:
undetectable
4aftE-3vbjA:
undetectable		 4aftD-3vbjA:
19.75
4aftE-3vbjA:
19.75
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.
3vqi ATG5

(Kluyveromyces
marxianus) 		PF04106
(APG5) 		4 VAL A  38
CYH A  86
TYR A  48
ILE A  13
 None
 0.96A 4aftD-3vqiA:
undetectable
4aftE-3vqiA:
undetectable		 4aftD-3vqiA:
19.79
4aftE-3vqiA:
19.79
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.
3w9a PUTATIVE
UNCHARACTERIZED
PROTEIN

(Coprinopsis
cinerea) 		no annotation 4 TYR A 179
VAL A 219
VAL A  82
ILE A 118
 None
 1.16A 4aftD-3w9aA:
undetectable
4aftE-3w9aA:
undetectable		 4aftD-3w9aA:
21.17
4aftE-3w9aA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wh9 ENDO-BETA-1,4-MANNAN
ASE

(Aspergillus
niger) 		PF00150
(Cellulase) 		4 TYR A 146
TYR A  70
VAL A  93
ILE A 106
 None
 1.12A 4aftD-3wh9A:
undetectable
4aftE-3wh9A:
undetectable		 4aftD-3wh9A:
22.02
4aftE-3wh9A:
22.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zdh ACETYLCHOLINE
BINDING PROTEIN

(Lymnaea
stagnalis) 		PF02931
(Neur_chan_LBD) 		4 TYR A  89
TRP A 143
TYR A 185
TYR A 192
 None
XRS  A 301 (-3.6A)
XRS  A 301 ( 4.1A)
XRS  A 301 (-3.8A)
 0.44A 4aftD-3zdhA:
25.3
4aftE-3zdhA:
18.5		 4aftD-3zdhA:
35.32
4aftE-3zdhA:
35.32
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.
3zph CHALCONE ISOMERASE

(Eubacterium
ramulus) 		no annotation 4 TYR A 275
VAL A  32
TYR A 278
ILE A  29
 None
 1.04A 4aftD-3zphA:
undetectable
4aftE-3zphA:
undetectable		 4aftD-3zphA:
22.30
4aftE-3zphA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b5d CAPITELLA TELETA
ACHBP

(Capitella
teleta) 		PF02931
(Neur_chan_LBD) 		4 TRP A 153
VAL A 154
TYR A 194
TYR A 201
 SW4  A1213 (-4.0A)
SW4  A1213 (-4.5A)
SW4  A1213 ( 3.8A)
SW4  A1213 (-3.7A)
 0.36A 4aftD-4b5dA:
21.9
4aftE-4b5dA:
17.6		 4aftD-4b5dA:
29.88
4aftE-4b5dA:
29.88
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.
4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE

(Bacillus
megaterium) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		4 VAL A 747
TYR A 753
VAL A 715
ILE A 819
 None
 1.02A 4aftD-4dqkA:
undetectable
4aftE-4dqkA:
undetectable		 4aftD-4dqkA:
19.14
4aftE-4dqkA:
19.14
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.
4dsq PEROXIREDOXIN TYPE-2

(Saccharomyces
cerevisiae) 		PF08534
(Redoxin) 		4 TYR A  70
VAL A 145
VAL A 151
ILE A  51
 None
 1.10A 4aftD-4dsqA:
undetectable
4aftE-4dsqA:
undetectable		 4aftD-4dsqA:
22.81
4aftE-4dsqA:
22.81
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.
4es1 BH0342 PROTEIN

(Bacillus
halodurans) 		PF09827
(CRISPR_Cas2) 		4 VAL A  23
TYR A  30
CYH A  41
ILE A   5
 None
 1.04A 4aftD-4es1A:
undetectable
4aftE-4es1A:
undetectable		 4aftD-4es1A:
17.97
4aftE-4es1A:
17.97
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.
4f82 THIOREDOXIN
REDUCTASE

(Burkholderia
cenocepacia) 		PF08534
(Redoxin) 		4 TYR A  63
VAL A 137
VAL A 143
ILE A  44
 None
 1.15A 4aftD-4f82A:
undetectable
4aftE-4f82A:
undetectable		 4aftD-4f82A:
20.59
4aftE-4f82A:
20.59
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.
4g59 M152 PROTEIN

(Murid
betaherpesvirus
1) 		PF11624
(M157) 		4 VAL C 249
TYR C 184
CYH C 197
ILE C 209
 None
 0.94A 4aftD-4g59C:
undetectable
4aftE-4g59C:
undetectable		 4aftD-4g59C:
20.36
4aftE-4g59C:
20.36
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.
4gvl TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 TYR A 119
VAL A 178
TYR A 163
VAL A 187
ILE A 123
 None
 1.48A 4aftD-4gvlA:
undetectable
4aftE-4gvlA:
undetectable		 4aftD-4gvlA:
16.59
4aftE-4gvlA:
16.59
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.
4jkx BETA-GALACTOSIDE-SPE
CIFIC LECTIN 1 A
CHAIN

(Viscum album) 		PF00161
(RIP) 		4 TYR A 191
VAL A 236
VAL A 206
ILE A 218
 None
 1.12A 4aftD-4jkxA:
undetectable
4aftE-4jkxA:
undetectable		 4aftD-4jkxA:
22.78
4aftE-4jkxA:
22.78
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.
4jzn ANTI-HCV E2 FAB
HC84-1 HEAVY CHAIN
ANTI-HCV E2 FAB
HC84-1 LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR A  95
TRP A 109
VAL B  44
VAL B  46
 None
 1.15A 4aftD-4jznA:
undetectable
4aftE-4jznA:
undetectable		 4aftD-4jznA:
22.51
4aftE-4jznA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oe1 CHLOROPLAST
PENTATRICOPEPTIDE
REPEAT PROTEIN 10

(Zea mays) 		PF01535
(PPR)
PF12854
(PPR_1)
PF13041
(PPR_2)
PF13812
(PPR_3) 		4 VAL A 265
TYR A 283
VAL A 261
ILE A 252
 None
 1.14A 4aftD-4oe1A:
undetectable
4aftE-4oe1A:
undetectable		 4aftD-4oe1A:
15.19
4aftE-4oe1A:
15.19
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.
4oj5 TAILSPIKE PROTEIN

(Escherichia
virus CBA120) 		no annotation 4 TYR A 705
CYH A 726
VAL A 743
ILE A 752
 None
 1.07A 4aftD-4oj5A:
undetectable
4aftE-4oj5A:
undetectable		 4aftD-4oj5A:
14.42
4aftE-4oj5A:
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.
4pvv ADENOSINE KINASE

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		4 VAL A   5
CYH A 159
VAL A  67
ILE A 144
 None
 1.05A 4aftD-4pvvA:
undetectable
4aftE-4pvvA:
undetectable		 4aftD-4pvvA:
20.19
4aftE-4pvvA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q2e PHOSPHATIDATE
CYTIDYLYLTRANSFERASE

(Thermotoga
maritima) 		PF01148
(CTP_transf_1) 		4 TYR A 206
VAL A 156
TYR A 202
VAL A 274
 None
 1.04A 4aftD-4q2eA:
undetectable
4aftE-4q2eA:
undetectable		 4aftD-4q2eA:
22.30
4aftE-4q2eA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qhx UNCHARACTERIZED
PROTEIN

(Bacteroides
caccae) 		PF11958
(DUF3472)
PF16871
(DUF5077) 		4 TYR A  60
VAL A  33
TYR A 330
ILE A  56
 None
 1.14A 4aftD-4qhxA:
undetectable
4aftE-4qhxA:
undetectable		 4aftD-4qhxA:
19.27
4aftE-4qhxA:
19.27
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.
4wts BETA-1,3-GLUCANOSYLT
RANSFERASE

(Rhizomucor
miehei) 		PF00332
(Glyco_hydro_17) 		4 VAL A 129
TYR A  61
VAL A 118
ILE A 127
 None
 0.78A 4aftD-4wtsA:
undetectable
4aftE-4wtsA:
undetectable		 4aftD-4wtsA:
23.89
4aftE-4wtsA:
23.89
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.
4x00 PUTATIVE HYDROLASE

(Burkholderia
cenocepacia) 		PF12697
(Abhydrolase_6) 		4 TYR A 226
VAL A 139
TYR A 135
VAL A 209
 None
 1.14A 4aftD-4x00A:
undetectable
4aftE-4x00A:
undetectable		 4aftD-4x00A:
21.62
4aftE-4x00A:
21.62
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.
4xpr ALPHA-GLUCOSIDASE

(Pseudopedobacter
saltans) 		PF01055
(Glyco_hydro_31)
PF17137
(DUF5110) 		4 TYR A 274
TRP A 305
VAL A 417
ILE A 306
 None
EDO  A1005 (-4.6A)
None
None
 1.15A 4aftD-4xprA:
undetectable
4aftE-4xprA:
undetectable		 4aftD-4xprA:
15.35
4aftE-4xprA:
15.35
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.
4xul MG662

(Megavirus
chiliensis) 		no annotation 4 TYR A 203
VAL A  59
VAL A  56
ILE A  20
 None
 1.08A 4aftD-4xulA:
undetectable
4aftE-4xulA:
undetectable		 4aftD-4xulA:
20.00
4aftE-4xulA:
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.
5d3m ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA1
ENERGY-COUPLING
FACTOR TRANSPORTER
TRANSMEMBRANE
PROTEIN ECFT

(Lactobacillus
delbrueckii) 		PF00005
(ABC_tran)
PF02361
(CbiQ) 		4 VAL A 106
TYR D 236
VAL A 128
ILE A 123
 None
 1.12A 4aftD-5d3mA:
undetectable
4aftE-5d3mA:
undetectable		 4aftD-5d3mA:
18.33
4aftE-5d3mA:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5esa ANTI-HCV E2
GLYCOPROTEIN FAB
HEAVY CHAIN
ANTI-HCV E2
GLYCOPROTEIN FAB
LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR A  95
TRP A 109
VAL B  44
VAL B  46
 None
 1.14A 4aftD-5esaA:
undetectable
4aftE-5esaA:
undetectable		 4aftD-5esaA:
24.90
4aftE-5esaA:
24.90
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.
5f7u CYCLOALTERNAN-FORMIN
G ENZYME

(Listeria
monocytogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF16990
(CBM_35) 		4 VAL A 960
TYR A 937
VAL A 893
ILE A 916
 None
 1.07A 4aftD-5f7uA:
undetectable
4aftE-5f7uA:
undetectable		 4aftD-5f7uA:
11.45
4aftE-5f7uA:
11.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fjv NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-2

(Homo sapiens) 		PF02931
(Neur_chan_LBD) 		4 TYR A 122
TRP A 178
TYR A 219
TYR A 226
 EPJ  A 300 (-4.6A)
EPJ  A 300 (-3.7A)
EPJ  A 300 (-3.7A)
EPJ  A 300 (-3.7A)
 0.48A 4aftD-5fjvA:
22.6
4aftE-5fjvA:
15.1		 4aftD-5fjvA:
31.39
4aftE-5fjvA:
31.39
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.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		4 VAL N  51
TYR N 160
VAL N 234
ILE N  21
 None
 1.05A 4aftD-5fmgN:
undetectable
4aftE-5fmgN:
undetectable		 4aftD-5fmgN:
17.28
4aftE-5fmgN:
17.28
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.
5gp4 GLUTAMATE
DECARBOXYLASE

(Lactobacillus
brevis) 		no annotation 4 VAL C 194
TYR C 200
VAL C 229
ILE C 208
 None
 0.97A 4aftD-5gp4C:
undetectable
4aftE-5gp4C:
undetectable		 4aftD-5gp4C:
18.68
4aftE-5gp4C:
18.68
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.
5gxd AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Dinoroseobacter
shibae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		4 VAL A 361
TYR A 268
VAL A 382
ILE A 385
 None
 1.10A 4aftD-5gxdA:
undetectable
4aftE-5gxdA:
undetectable		 4aftD-5gxdA:
17.76
4aftE-5gxdA:
17.76
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.
5it9 RIBOSOMAL PROTEIN
RACK1

(Kluyveromyces
lactis) 		PF01092
(Ribosomal_S6e) 		4 TRP g 186
TYR g 143
VAL g 157
ILE g 132
 None
 0.98A 4aftD-5it9g:
undetectable
4aftE-5it9g:
undetectable		 4aftD-5it9g:
22.12
4aftE-5it9g:
22.12
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.
5iuj SENSOR HISTIDINE
KINASE DESK

(Bacillus
subtilis) 		PF07730
(HisKA_3) 		4 VAL A 318
TYR A 266
VAL A 294
ILE A 253
 None
None
ACP  A 401 ( 4.0A)
None
 1.15A 4aftD-5iujA:
undetectable
4aftE-5iujA:
undetectable		 4aftD-5iujA:
19.92
4aftE-5iujA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jt8 BLO T 1 ALLERGEN

(Blomia
tropicalis) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 VAL A 268
TYR A 278
VAL A 232
ILE A 281
 None
 1.05A 4aftD-5jt8A:
undetectable
4aftE-5jt8A:
undetectable		 4aftD-5jt8A:
21.69
4aftE-5jt8A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4

(Homo sapiens) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		4 TYR A 100
TRP A 156
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.57A 4aftD-5kxiA:
24.3
4aftE-5kxiA:
17.1		 4aftD-5kxiA:
19.00
4aftE-5kxiA:
19.00
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.
5mp2 CAMELID NANOBODY
VHH04
TYPE II SECRETION
SYSTEM PROTEIN D

(Lama glama;
Pseudomonas
aeruginosa) 		no annotation 4 TYR C  59
VAL A  90
TYR C  52
ILE A  55
 None
 1.11A 4aftD-5mp2C:
undetectable
4aftE-5mp2C:
undetectable		 4aftD-5mp2C:
17.37
4aftE-5mp2C:
17.37
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.
5opt 40S RIBOSOMAL
PROTEIN S5, PUTATIVE

(Trypanosoma
cruzi) 		no annotation 4 VAL O  55
CYH O 141
VAL O  98
ILE O 137
 None
 1.08A 4aftD-5optO:
undetectable
4aftE-5optO:
undetectable		 4aftD-5optO:
21.72
4aftE-5optO:
21.72
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.
5t13 CYANURIC ACID
AMIDOHYDROLASE

(Enterobacter
cloacae) 		PF09663
(Amido_AtzD_TrzD) 		4 TYR A 347
VAL A 162
CYH A  35
ILE A 244
 None
 1.07A 4aftD-5t13A:
undetectable
4aftE-5t13A:
undetectable		 4aftD-5t13A:
19.74
4aftE-5t13A:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tr1 CHLORIDE CHANNEL
PROTEIN

(Bos taurus) 		PF00654
(Voltage_CLC) 		4 TYR A 531
VAL A 227
VAL A 202
ILE A 129
 None
 1.13A 4aftD-5tr1A:
undetectable
4aftE-5tr1A:
undetectable		 4aftD-5tr1A:
14.90
4aftE-5tr1A:
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.
5u4n FRUCTOSE-1

(Neisseria
gonorrhoeae) 		PF01116
(F_bP_aldolase) 		4 VAL A 128
CYH A 135
VAL A 139
ILE A  95
 None
 1.05A 4aftD-5u4nA:
undetectable
4aftE-5u4nA:
undetectable		 4aftD-5u4nA:
18.73
4aftE-5u4nA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u7s FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE

(Acinetobacter
baumannii) 		PF01116
(F_bP_aldolase) 		4 VAL A 128
CYH A 135
VAL A 139
ILE A  95
 None
 1.11A 4aftD-5u7sA:
undetectable
4aftE-5u7sA:
undetectable		 4aftD-5u7sA:
18.26
4aftE-5u7sA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vye L-THREONINE ALDOLASE

(Pseudomonas
putida) 		no annotation 4 TYR A 152
CYH A 164
VAL A  82
ILE A 122
 None
 1.16A 4aftD-5vyeA:
undetectable
4aftE-5vyeA:
undetectable		 4aftD-5vyeA:
18.78
4aftE-5vyeA:
18.78
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.
5wsy UNCHARACTERIZED
PROTEIN

(Streptomyces
avermitilis) 		PF10862
(FcoT) 		4 TYR A  53
CYH A  68
VAL A 118
ILE A  48
 7UC  A 201 (-4.7A)
None
None
None
 1.04A 4aftD-5wsyA:
undetectable
4aftE-5wsyA:
undetectable		 4aftD-5wsyA:
17.78
4aftE-5wsyA:
17.78
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.
5wvo DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		no annotation 4 VAL C 513
TYR C 507
VAL C 561
ILE C 466
 None
 1.06A 4aftD-5wvoC:
undetectable
4aftE-5wvoC:
undetectable		 4aftD-5wvoC:
22.61
4aftE-5wvoC:
22.61
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.
5wwp ORF1AB

(Middle East
respiratory
syndrome-related
coronavirus) 		no annotation 4 TYR B 457
VAL B 563
VAL B 533
ILE B 565
 None
 1.16A 4aftD-5wwpB:
undetectable
4aftE-5wwpB:
undetectable		 4aftD-5wwpB:
17.12
4aftE-5wwpB:
17.12
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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		4 VAL A1258
TYR A1232
VAL A1275
ILE A1246
 None
 0.95A 4aftD-5x7sA:
undetectable
4aftE-5x7sA:
undetectable		 4aftD-5x7sA:
11.41
4aftE-5x7sA:
11.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y1g NAD DEPENDENT
EPIMERASE/DEHYDRATAS
E FAMILY

(uncultured
archaeon
MedDCM-OCT-S05-C57) 		no annotation 4 TYR A  39
VAL A   4
VAL A  66
ILE A  29
 None
 1.03A 4aftD-5y1gA:
undetectable
4aftE-5y1gA:
undetectable		 4aftD-5y1gA:
19.82
4aftE-5y1gA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z5d BETA-XYLOSIDASE

(Geobacillus
thermoleovorans) 		no annotation 4 VAL A 242
TYR A 182
VAL A 252
ILE A 276
 None
 1.07A 4aftD-5z5dA:
undetectable
4aftE-5z5dA:
undetectable		 4aftD-5z5dA:
16.02
4aftE-5z5dA:
16.02
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.
5zxd -

(-) 		no annotation 4 VAL A 497
CYH A 509
VAL A 359
ILE A 356
 None
 1.12A 4aftD-5zxdA:
undetectable
4aftE-5zxdA:
undetectable		 4aftD-5zxdA:
undetectable
4aftE-5zxdA:
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.
6b2w PUTATIVE
PEPTIDYL-ARGININE
DEIMINASE FAMILY
PROTEIN

(Campylobacter
jejuni) 		no annotation 4 TYR A 277
TYR A 262
CYH A 215
ILE A 191
 None
 0.94A 4aftD-6b2wA:
undetectable
4aftE-6b2wA:
undetectable		 4aftD-6b2wA:
17.37
4aftE-6b2wA:
17.37
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.
6f9n CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 1

(Homo sapiens) 		no annotation 4 VAL A 788
TYR A 797
CYH A 785
VAL A 849
 None
 1.13A 4aftD-6f9nA:
undetectable
4aftE-6f9nA:
undetectable		 4aftD-6f9nA:
15.35
4aftE-6f9nA:
15.35