SIMILAR PATTERNS OF AMINO ACIDS FOR 3LSL_D_PZID800_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.
1kae HISTIDINOL
DEHYDROGENASE

(Escherichia
coli) 		PF00815
(Histidinol_dh) 		4 ASN A  37
LEU A  40
ASP A  41
LYS A  44
 None
 1.23A 3lslA-1kaeA:
undetectable
3lslD-1kaeA:
undetectable		 3lslA-1kaeA:
20.27
3lslD-1kaeA:
20.27
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.
1ljy MGP-40

(Capra hircus) 		PF00704
(Glyco_hydro_18) 		4 TYR A   7
ASN A  51
LEU A  55
ASP A  52
 None
 1.16A 3lslA-1ljyA:
undetectable
3lslD-1ljyA:
undetectable		 3lslA-1ljyA:
22.16
3lslD-1ljyA:
22.16
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.
1nst HEPARAN SULFATE
N-DEACETYLASE/N-SULF
OTRANSFERASE

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		4 SER A 632
TYR A 804
MET A 626
LEU A 624
 None
 1.43A 3lslA-1nstA:
undetectable
3lslD-1nstA:
undetectable		 3lslA-1nstA:
21.35
3lslD-1nstA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ohe CDC14B2 PHOSPHATASE

(Homo sapiens) 		PF00782
(DSPc)
PF14671
(DSPn) 		4 TYR A 248
ASN A 217
LEU A 216
ASP A 215
 None
 1.40A 3lslA-1oheA:
undetectable
3lslD-1oheA:
undetectable		 3lslA-1oheA:
22.19
3lslD-1oheA:
22.19
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.
1szh HER-1 PROTEIN

(Caenorhabditis
elegans) 		PF09232
(Caenor_Her-1) 		4 TYR A 137
LEU A 123
ASP A 124
LYS A 127
 None
 0.94A 3lslA-1szhA:
undetectable
3lslD-1szhA:
undetectable		 3lslA-1szhA:
20.96
3lslD-1szhA:
20.96
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.
1tzq EQUINATOXIN II

(Actinia equina) 		PF06369
(Anemone_cytotox) 		4 SER A 141
TYR A 122
ASN A 118
LEU A 136
 None
 1.44A 3lslA-1tzqA:
undetectable
3lslD-1tzqA:
undetectable		 3lslA-1tzqA:
20.16
3lslD-1tzqA:
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.
1um8 ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT CLPX

(Helicobacter
pylori) 		PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 TYR A 111
ASN A 144
LEU A 274
LYS A 208
 None
 1.22A 3lslA-1um8A:
undetectable
3lslD-1um8A:
undetectable		 3lslA-1um8A:
20.20
3lslD-1um8A:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v5v AMINOMETHYLTRANSFERA
SE

(Pyrococcus
horikoshii) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 TYR A 198
ASN A 265
LEU A 262
ASP A 252
 None
 1.43A 3lslA-1v5vA:
undetectable
3lslD-1v5vA:
undetectable		 3lslA-1v5vA:
21.96
3lslD-1v5vA:
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.
1wdt ELONGATION FACTOR G
HOMOLOG

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		4 SER A 254
TYR A 164
LEU A 136
ASP A 137
 GTP  A 700 (-2.5A)
None
None
GTP  A 700 (-2.8A)
 1.34A 3lslA-1wdtA:
undetectable
3lslD-1wdtA:
undetectable		 3lslA-1wdtA:
16.52
3lslD-1wdtA:
16.52
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.
1xp4 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Streptococcus
pneumoniae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		4 SER A 175
TYR A  86
ASN A 164
LEU A 167
 None
 1.11A 3lslA-1xp4A:
undetectable
3lslD-1xp4A:
undetectable		 3lslA-1xp4A:
21.76
3lslD-1xp4A:
21.76
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.
2a5z HYPOTHETICAL PROTEIN
SO2946

(Shewanella
oneidensis) 		no annotation 4 SER A  83
TYR A  53
MET A  56
ASP A 247
 None
None
None
MG  A 701 (-3.2A)
 1.08A 3lslA-2a5zA:
undetectable
3lslD-2a5zA:
undetectable		 3lslA-2a5zA:
23.67
3lslD-2a5zA:
23.67
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.
2awa DNA POLYMERASE III,
BETA CHAIN

(Streptococcus
pneumoniae) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		4 SER A  23
TYR A 123
ASN A  26
LEU A  31
 None
 1.41A 3lslA-2awaA:
undetectable
3lslD-2awaA:
undetectable		 3lslA-2awaA:
20.90
3lslD-2awaA:
20.90
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.
2cw9 TRANSLOCASE OF INNER
MITOCHONDRIAL
MEMBRANE

(Homo sapiens) 		PF04280
(Tim44) 		4 TYR A 348
LEU A 336
ASP A 337
LYS A 340
 None
 0.91A 3lslA-2cw9A:
undetectable
3lslD-2cw9A:
undetectable		 3lslA-2cw9A:
21.83
3lslD-2cw9A:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cyb TYROSYL-TRNA
SYNTHETASE

(Archaeoglobus
fulgidus) 		PF00579
(tRNA-synt_1b) 		4 ASN A 249
LEU A 252
ASP A 253
LYS A 256
 None
 1.37A 3lslA-2cybA:
undetectable
3lslD-2cybA:
undetectable		 3lslA-2cybA:
23.78
3lslD-2cybA:
23.78
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.
2elj TRANSCRIPTIONAL
ADAPTER 2

(Saccharomyces
cerevisiae) 		PF04433
(SWIRM) 		4 SER A  84
TYR A  41
LEU A  30
ASP A  26
 None
 1.43A 3lslA-2eljA:
undetectable
3lslD-2eljA:
undetectable		 3lslA-2eljA:
15.08
3lslD-2eljA:
15.08
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.
2i0o SER/THR PHOSPHATASE

(Anopheles
gambiae) 		PF00481
(PP2C) 		4 SER A 426
ASN A 422
ASP A 442
LYS A 444
 None
 1.39A 3lslA-2i0oA:
undetectable
3lslD-2i0oA:
undetectable		 3lslA-2i0oA:
22.07
3lslD-2i0oA:
22.07
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.
2ijr HYPOTHETICAL PROTEIN
API92

(Yersinia
pseudotuberculosis) 		PF06924
(DUF1281) 		4 SER A 192
TYR A  60
ASN A 182
LEU A 188
 None
 1.21A 3lslA-2ijrA:
undetectable
3lslD-2ijrA:
undetectable		 3lslA-2ijrA:
22.12
3lslD-2ijrA:
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.
2lll LAMIN-B2

(Homo sapiens) 		PF00932
(LTD) 		4 SER A 453
TYR A 501
ASN A 470
LEU A 503
 None
 1.44A 3lslA-2lllA:
undetectable
3lslD-2lllA:
undetectable		 3lslA-2lllA:
22.08
3lslD-2lllA:
22.08
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.
2ls6 HYALURONOGLUCOSAMINI
DASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C) 		4 SER A 164
ASN A  82
LEU A  80
ASP A 132
 None
 1.42A 3lslA-2ls6A:
undetectable
3lslD-2ls6A:
undetectable		 3lslA-2ls6A:
22.59
3lslD-2ls6A:
22.59
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.
2q86 VALPHA14 TCR

(Mus musculus) 		PF07686
(V-set)
PF09291
(DUF1968) 		4 TYR A  24
LEU A  65
ASP A  66
LYS A  70
 None
 1.32A 3lslA-2q86A:
undetectable
3lslD-2q86A:
undetectable		 3lslA-2q86A:
23.81
3lslD-2q86A:
23.81
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.
2ra1 SURFACE LAYER
PROTEIN

(Geobacillus
stearothermophilus) 		PF13205
(Big_5) 		4 TYR A 256
LEU A 220
ASP A 221
LYS A 224
 None
 0.98A 3lslA-2ra1A:
undetectable
3lslD-2ra1A:
undetectable		 3lslA-2ra1A:
21.14
3lslD-2ra1A:
21.14
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.
2v8p 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE

(Aquifex
aeolicus) 		PF00288
(GHMP_kinases_N) 		4 SER A 236
TYR A 175
ASN A 206
LEU A 208
 None
CDP  A1269 (-3.6A)
None
None
 1.35A 3lslA-2v8pA:
undetectable
3lslD-2v8pA:
undetectable		 3lslA-2v8pA:
22.62
3lslD-2v8pA:
22.62
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.
2wc7 ALPHA AMYLASE,
CATALYTIC REGION

(Nostoc
punctiforme) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		4 SER A 436
TYR A 410
ASN A 432
LEU A 415
 None
 1.26A 3lslA-2wc7A:
undetectable
3lslD-2wc7A:
undetectable		 3lslA-2wc7A:
19.17
3lslD-2wc7A:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wc7 ALPHA AMYLASE,
CATALYTIC REGION

(Nostoc
punctiforme) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		4 SER A 437
TYR A 410
ASN A 432
LEU A 415
 None
 1.39A 3lslA-2wc7A:
undetectable
3lslD-2wc7A:
undetectable		 3lslA-2wc7A:
19.17
3lslD-2wc7A:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wtk STE20-RELATED KINASE
ADAPTER PROTEIN
ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		4 SER B 195
TYR B 133
ASN B 217
LEU B 214
 None
 1.43A 3lslA-2wtkB:
undetectable
3lslD-2wtkB:
undetectable		 3lslA-2wtkB:
21.11
3lslD-2wtkB:
21.11
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.
2yp1 AROMATIC
PEROXYGENASE

(Agrocybe
aegerita) 		PF01328
(Peroxidase_2) 		4 TYR A 281
ASN A 305
LEU A 308
ASP A 309
 None
 1.25A 3lslA-2yp1A:
undetectable
3lslD-2yp1A:
undetectable		 3lslA-2yp1A:
22.42
3lslD-2yp1A:
22.42
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.
2z2f LYSOZYME C-2

(Bos taurus) 		PF00062
(Lys) 		4 SER A 122
TYR A  38
LEU A  29
LYS A  33
 None
 1.11A 3lslA-2z2fA:
undetectable
3lslD-2z2fA:
undetectable		 3lslA-2z2fA:
18.78
3lslD-2z2fA:
18.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zns GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 1

(Homo sapiens) 		PF10613
(Lig_chan-Glu_bd) 		4 TYR A 448
MET A 519
LEU A 776
LYS A 780
 None
 0.43A 3lslA-2znsA:
37.3
3lslD-2znsA:
36.9		 3lslA-2znsA:
51.92
3lslD-2znsA:
51.92
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.
2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Bifidobacterium
longum) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 TYR A 873
ASN A 886
LEU A 840
ASP A 839
 None
 1.21A 3lslA-2zxqA:
undetectable
3lslD-2zxqA:
undetectable		 3lslA-2zxqA:
12.39
3lslD-2zxqA:
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.
3ai7 XYLULOSE-5-PHOSPHATE
/FRUCTOSE-6-PHOSPHAT
E PHOSPHOKETOLASE

(Bifidobacterium
longum) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		4 SER A 470
TYR A 291
ASN A 285
ASP A 455
 None
 1.19A 3lslA-3ai7A:
undetectable
3lslD-3ai7A:
undetectable		 3lslA-3ai7A:
14.75
3lslD-3ai7A:
14.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bz5 INTERNALIN-J

(Listeria
monocytogenes) 		PF12799
(LRR_4) 		4 SER A 239
ASN A 262
LEU A 259
ASP A 258
 None
 1.38A 3lslA-3bz5A:
undetectable
3lslD-3bz5A:
undetectable		 3lslA-3bz5A:
18.32
3lslD-3bz5A:
18.32
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.
3e15 GLUCOSE-6-PHOSPHATE
1-DEHYDROGENASE

(Plasmodium
vivax) 		PF01182
(Glucosamine_iso) 		4 SER A  59
TYR A 137
ASN A 102
ASP A  90
 None
 1.41A 3lslA-3e15A:
undetectable
3lslD-3e15A:
undetectable		 3lslA-3e15A:
23.81
3lslD-3e15A:
23.81
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.
3eoj BACTERIOCHLOROPHYLL
A PROTEIN

(Prosthecochloris
aestuarii) 		PF02327
(BChl_A) 		4 SER A 111
LEU A 153
ASP A 154
LYS A 215
 EDO  A 383 ( 4.3A)
None
NA  A1232 ( 4.9A)
None
 1.28A 3lslA-3eojA:
undetectable
3lslD-3eojA:
undetectable		 3lslA-3eojA:
20.97
3lslD-3eojA:
20.97
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.
3f0h AMINOTRANSFERASE

([Eubacterium]
rectale) 		PF00266
(Aminotran_5) 		4 TYR A  45
ASN A 245
LEU A 248
LYS A 252
 None
 1.10A 3lslA-3f0hA:
undetectable
3lslD-3f0hA:
undetectable		 3lslA-3f0hA:
22.28
3lslD-3f0hA:
22.28
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.
3fav 6 KDA EARLY
SECRETORY ANTIGENIC
TARGET

(Mycobacterium
tuberculosis) 		PF06013
(WXG100) 		4 ASN B  66
LEU B  29
ASP B  30
LYS B  33
 None
None
ZN  B   1 (-2.4A)
None
 1.07A 3lslA-3favB:
undetectable
3lslD-3favB:
undetectable		 3lslA-3favB:
15.77
3lslD-3favB:
15.77
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.
3gir AMINOMETHYLTRANSFERA
SE

(Bartonella
henselae) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 TYR A 194
ASN A 244
LEU A 241
ASP A 231
 None
 1.37A 3lslA-3girA:
undetectable
3lslD-3girA:
undetectable		 3lslA-3girA:
20.71
3lslD-3girA:
20.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h6t GLUTAMATE RECEPTOR 2

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 TYR A  35
MET A 107
ASP A 248
LYS A 251
 None
None
None
CYZ  A 265 ( 4.4A)
 1.08A 3lslA-3h6tA:
42.6
3lslD-3h6tA:
42.7		 3lslA-3h6tA:
99.61
3lslD-3h6tA:
99.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h6t GLUTAMATE RECEPTOR 2

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 TYR A  35
MET A 107
LEU A 247
LYS A 251
 None
None
CYZ  A 265 (-4.3A)
CYZ  A 265 ( 4.4A)
 0.49A 3lslA-3h6tA:
42.6
3lslD-3h6tA:
42.7		 3lslA-3h6tA:
99.61
3lslD-3h6tA:
99.61
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.
3hjb GLUCOSE-6-PHOSPHATE
ISOMERASE

(Vibrio cholerae) 		PF00342
(PGI) 		4 TYR A 288
ASN A 122
LEU A 125
LYS A 129
 None
 1.43A 3lslA-3hjbA:
undetectable
3lslD-3hjbA:
undetectable		 3lslA-3hjbA:
17.74
3lslD-3hjbA:
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.
3kl9 GLUTAMYL
AMINOPEPTIDASE

(Streptococcus
pneumoniae) 		PF05343
(Peptidase_M42) 		4 SER A 307
TYR A 354
LEU A 266
LYS A 352
 None
 0.92A 3lslA-3kl9A:
undetectable
3lslD-3kl9A:
undetectable		 3lslA-3kl9A:
21.82
3lslD-3kl9A:
21.82
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.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		4 SER A 194
TYR A 206
LEU A 165
ASP A 170
 None
 1.34A 3lslA-3lezA:
undetectable
3lslD-3lezA:
undetectable		 3lslA-3lezA:
22.18
3lslD-3lezA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mgx PUTATIVE P450
MONOOXYGENASE

(Amycolatopsis
balhimycina) 		PF00067
(p450) 		4 SER A  41
TYR A  15
LEU A   9
ASP A   8
 None
 1.35A 3lslA-3mgxA:
undetectable
3lslD-3mgxA:
undetectable		 3lslA-3mgxA:
20.67
3lslD-3mgxA:
20.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qxm GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2

(Homo sapiens) 		PF10613
(Lig_chan-Glu_bd) 		4 TYR A 431
MET A 503
LEU A 760
LYS A 764
 None
 0.48A 3lslA-3qxmA:
13.3
3lslD-3qxmA:
37.1		 3lslA-3qxmA:
51.92
3lslD-3qxmA:
51.92
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.
3sze SERINE PROTEASE ESPP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		4 SER A 505
ASN A 503
LEU A 482
ASP A 481
 None
 1.07A 3lslA-3szeA:
undetectable
3lslD-3szeA:
undetectable		 3lslA-3szeA:
16.07
3lslD-3szeA:
16.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u92 GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 3

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 TYR A  35
MET A 106
LEU A 242
LYS A 246
 None
None
None
ZN  A 259 (-3.5A)
 0.43A 3lslA-3u92A:
36.9
3lslD-3u92A:
36.8		 3lslA-3u92A:
51.34
3lslD-3u92A:
51.34
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.
3w1g DNA LIGASE 4

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 TYR A  82
ASN A 149
LEU A 152
ASP A 153
 None
 1.21A 3lslA-3w1gA:
undetectable
3lslD-3w1gA:
undetectable		 3lslA-3w1gA:
17.51
3lslD-3w1gA:
17.51
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.
4buo NEUROTENSIN RECEPTOR
TYPE 1

(Rattus
norvegicus) 		PF00001
(7tm_1) 		4 SER A 361
ASN A 365
LEU A 109
ASP A 113
 None
 1.06A 3lslA-4buoA:
undetectable
3lslD-4buoA:
undetectable		 3lslA-4buoA:
21.70
3lslD-4buoA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cj0 ENDOGLUCANASE D

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		4 SER A 240
LEU A 245
ASP A 246
LYS A 249
 None
None
CA  A1577 (-3.0A)
None
 0.85A 3lslA-4cj0A:
undetectable
3lslD-4cj0A:
undetectable		 3lslA-4cj0A:
18.02
3lslD-4cj0A:
18.02
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.
4cj0 ENDOGLUCANASE D

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		4 TYR A 139
ASN A 484
LEU A 487
ASP A 488
 None
 1.31A 3lslA-4cj0A:
undetectable
3lslD-4cj0A:
undetectable		 3lslA-4cj0A:
18.02
3lslD-4cj0A:
18.02
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.
4erv RYANODINE RECEPTOR 3

(Homo sapiens) 		PF02026
(RyR) 		4 SER A2625
TYR A2743
LEU A2787
ASP A2786
 None
 1.41A 3lslA-4ervA:
undetectable
3lslD-4ervA:
undetectable		 3lslA-4ervA:
21.92
3lslD-4ervA:
21.92
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.
4f3m BH0337 PROTEIN

(Bacillus
halodurans) 		PF09704
(Cas_Cas5d) 		4 TYR A  46
ASN A 113
ASP A 111
LYS A  48
 None
 1.42A 3lslA-4f3mA:
undetectable
3lslD-4f3mA:
undetectable		 3lslA-4f3mA:
21.58
3lslD-4f3mA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fye SIDF, INHIBITOR OF
GROWTH FAMILY,
MEMBER 3

(Legionella
pneumophila) 		no annotation 4 TYR A 508
LEU A 524
ASP A 525
LYS A 528
 None
 0.97A 3lslA-4fyeA:
undetectable
3lslD-4fyeA:
undetectable		 3lslA-4fyeA:
16.16
3lslD-4fyeA:
16.16
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.
4htp DNA LIGASE 4

(Homo sapiens) 		PF04675
(DNA_ligase_A_N) 		4 TYR A  82
ASN A 149
LEU A 152
ASP A 153
 None
 1.15A 3lslA-4htpA:
undetectable
3lslD-4htpA:
undetectable		 3lslA-4htpA:
20.38
3lslD-4htpA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i97 DELTA CLASS 1
GLUTATHIONE
S-TRANSFERASE

(Scaptomyza
nigrita) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 SER A  11
MET A 164
ASN A 197
LEU A 161
 None
 1.12A 3lslA-4i97A:
undetectable
3lslD-4i97A:
undetectable		 3lslA-4i97A:
22.01
3lslD-4i97A:
22.01
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.
4im7 HYPOTHETICAL
OXIDOREDUCTASE YDFI

(Escherichia
coli) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		4 TYR A 347
MET A 288
ASN A 294
LEU A 293
 None
None
CS2  A 501 (-3.0A)
CS2  A 501 ( 4.5A)
 1.45A 3lslA-4im7A:
undetectable
3lslD-4im7A:
undetectable		 3lslA-4im7A:
19.01
3lslD-4im7A:
19.01
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.
4im7 HYPOTHETICAL
OXIDOREDUCTASE YDFI

(Escherichia
coli) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		4 TYR A 347
MET A 292
ASN A 294
LEU A 293
 None
None
CS2  A 501 (-3.0A)
CS2  A 501 ( 4.5A)
 1.43A 3lslA-4im7A:
undetectable
3lslD-4im7A:
undetectable		 3lslA-4im7A:
19.01
3lslD-4im7A:
19.01
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.
4qgu GAMMA-INTERFERON-IND
UCIBLE PROTEIN 16

(Homo sapiens) 		PF02760
(HIN) 		4 TYR A 218
ASN A 274
LEU A 245
LYS A 226
 None
 1.27A 3lslA-4qguA:
undetectable
3lslD-4qguA:
undetectable		 3lslA-4qguA:
19.41
3lslD-4qguA:
19.41
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.
4ufc GH95

(Bacteroides
ovatus) 		PF14498
(Glyco_hyd_65N_2) 		4 SER A 737
TYR A 456
ASN A 762
LEU A 764
 None
 1.38A 3lslA-4ufcA:
undetectable
3lslD-4ufcA:
undetectable		 3lslA-4ufcA:
15.04
3lslD-4ufcA:
15.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uxv SEPTATION RING
FORMATION REGULATOR
EZRA

(Bacillus
subtilis) 		PF06160
(EzrA) 		4 ASN A 204
LEU A 168
ASP A 171
LYS A 170
 None
 0.88A 3lslA-4uxvA:
undetectable
3lslD-4uxvA:
undetectable		 3lslA-4uxvA:
18.85
3lslD-4uxvA:
18.85
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.
4uzs BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 SER A 668
TYR A 357
LEU A 391
ASP A 387
 None
 1.41A 3lslA-4uzsA:
undetectable
3lslD-4uzsA:
undetectable		 3lslA-4uzsA:
17.57
3lslD-4uzsA:
17.57
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.
4wzb NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		4 SER A 165
LEU A 131
ASP A 128
LYS A 129
 None
 1.16A 3lslA-4wzbA:
undetectable
3lslD-4wzbA:
undetectable		 3lslA-4wzbA:
19.01
3lslD-4wzbA:
19.01
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 MET A 843
ASN A 703
ASP A 850
LYS A 854
 None
 1.08A 3lslA-4xgtA:
undetectable
3lslD-4xgtA:
undetectable		 3lslA-4xgtA:
15.12
3lslD-4xgtA:
15.12
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.
5a21 PORTAL PROTEIN

(Bacillus phage
SPP1) 		PF05133
(Phage_prot_Gp6) 		4 SER A 312
TYR A 286
ASN A 290
LEU A 288
 None
 1.45A 3lslA-5a21A:
undetectable
3lslD-5a21A:
undetectable		 3lslA-5a21A:
21.37
3lslD-5a21A:
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.
5c3o THYMINE DIOXYGENASE

(Neurospora
crassa) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		4 TYR A 291
ASN A 150
ASP A 154
LYS A 157
 None
 1.32A 3lslA-5c3oA:
undetectable
3lslD-5c3oA:
undetectable		 3lslA-5c3oA:
23.32
3lslD-5c3oA:
23.32
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.
5d6n ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		4 SER A 188
TYR A 343
LEU A 345
ASP A 232
 None
 1.06A 3lslA-5d6nA:
undetectable
3lslD-5d6nA:
undetectable		 3lslA-5d6nA:
19.09
3lslD-5d6nA:
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.
5d9a POLYMERASE ACIDIC
PROTEIN

(Influenza C
virus) 		PF00603
(Flu_PA) 		4 SER A  54
TYR A  83
ASP A  96
LYS A 100
 None
 1.39A 3lslA-5d9aA:
undetectable
3lslD-5d9aA:
undetectable		 3lslA-5d9aA:
17.23
3lslD-5d9aA:
17.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dtb CG3822

(Drosophila
melanogaster) 		PF10613
(Lig_chan-Glu_bd) 		4 TYR A  39
MET A 111
LEU A 250
LYS A 254
 None
 0.53A 3lslA-5dtbA:
38.0
3lslD-5dtbA:
37.8		 3lslA-5dtbA:
54.79
3lslD-5dtbA:
54.79
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.
5fei DISTAL TUBE PROTEIN

(Bacillus virus
phi29) 		PF16838
(Caud_tail_N) 		4 SER A 247
TYR A 210
ASN A 194
ASP A 251
 None
 1.28A 3lslA-5feiA:
undetectable
3lslD-5feiA:
undetectable		 3lslA-5feiA:
17.28
3lslD-5feiA:
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.
5fww KREMEN PROTEIN 1
DICKKOPF-RELATED
PROTEIN 1

(Homo sapiens;
Homo sapiens) 		PF00051
(Kringle)
PF00431
(CUB)
PF01822
(WSC)
no annotation 		4 SER C 193
TYR B 165
LEU C 190
LYS C 208
 None
 1.32A 3lslA-5fwwC:
undetectable
3lslD-5fwwC:
undetectable		 3lslA-5fwwC:
13.95
3lslD-5fwwC:
13.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g5d CELLULOSOMAL-SCAFFOL
DING PROTEIN A

(Ruminiclostridium
thermocellum) 		PF00404
(Dockerin_1)
PF13620
(CarboxypepD_reg) 		4 TYR B 161
MET B  98
LEU B  74
ASP B  75
 None
 1.38A 3lslA-5g5dB:
undetectable
3lslD-5g5dB:
undetectable		 3lslA-5g5dB:
21.88
3lslD-5g5dB:
21.88
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.
5hoe HYDROLASE

(Sinorhizobium
meliloti) 		PF13472
(Lipase_GDSL_2) 		4 SER A  61
TYR A 170
MET A 113
ASP A  97
 None
 1.43A 3lslA-5hoeA:
undetectable
3lslD-5hoeA:
undetectable		 3lslA-5hoeA:
21.79
3lslD-5hoeA:
21.79
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.
5hyh UNCHARACTERIZED
PROTEIN

(Streptomyces
venezuelae) 		PF11583
(AurF) 		4 TYR A 101
ASN A 233
LEU A 212
ASP A 213
 None
None
None
TLA  A 403 (-3.2A)
 1.19A 3lslA-5hyhA:
undetectable
3lslD-5hyhA:
undetectable		 3lslA-5hyhA:
23.44
3lslD-5hyhA:
23.44
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.
5il7 RAB FAMILY PROTEIN

(Chlorobaculum
tepidum) 		PF12799
(LRR_4)
PF13516
(LRR_6) 		4 SER A  72
ASN A  95
LEU A  92
ASP A  93
 None
 1.32A 3lslA-5il7A:
undetectable
3lslD-5il7A:
undetectable		 3lslA-5il7A:
19.95
3lslD-5il7A:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jm6 AMINOPEPTIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF02127
(Peptidase_M18) 		4 SER A 390
TYR A  58
LEU A 309
ASP A 307
 None
None
None
ZN  A 602 ( 4.3A)
 1.29A 3lslA-5jm6A:
undetectable
3lslD-5jm6A:
undetectable		 3lslA-5jm6A:
18.52
3lslD-5jm6A:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kuf GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		4 TYR A 431
MET A 503
LEU A 760
LYS A 764
 None
 0.86A 3lslA-5kufA:
34.4
3lslD-5kufA:
33.9		 3lslA-5kufA:
18.46
3lslD-5kufA:
18.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l1b GLUTAMATE RECEPTOR
2,GLUTAMATE RECEPTOR
2

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 TYR A 424
MET A 496
LEU A 759
ASP A 760
LYS A 763
 None
 0.64A 3lslA-5l1bA:
22.2
3lslD-5l1bA:
22.4		 3lslA-5l1bA:
70.17
3lslD-5l1bA:
70.17
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.
5l56 PLEXIN-A1

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI)
PF01833
(TIG) 		4 TYR A  62
ASN A 123
LEU A 141
ASP A 142
 None
 1.15A 3lslA-5l56A:
undetectable
3lslD-5l56A:
undetectable		 3lslA-5l56A:
12.11
3lslD-5l56A:
12.11
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.
5low RABPHILIN-3A

(Rattus
norvegicus) 		PF00168
(C2) 		4 SER A 628
TYR A 613
LEU A 625
ASP A 626
 None
 1.43A 3lslA-5lowA:
undetectable
3lslD-5lowA:
undetectable		 3lslA-5lowA:
20.85
3lslD-5lowA:
20.85
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.
5lt1 KINESIN-LIKE PROTEIN

(Homo sapiens) 		PF00225
(Kinesin) 		4 TYR A 118
ASN A 216
LEU A 126
ASP A 123
 None
 1.11A 3lslA-5lt1A:
undetectable
3lslD-5lt1A:
undetectable		 3lslA-5lt1A:
22.26
3lslD-5lt1A:
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.
5m8t 5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE

(Homo sapiens) 		PF00264
(Tyrosinase) 		4 TYR A 185
LEU A 148
ASP A 149
LYS A 152
 None
 1.34A 3lslA-5m8tA:
undetectable
3lslD-5m8tA:
undetectable		 3lslA-5m8tA:
20.80
3lslD-5m8tA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mi0 RETICULOCYTE
BINDING-LIKE PROTEIN
5,RETICULOCYTE
BINDING PROTEIN 5

(Plasmodium
falciparum) 		no annotation 4 TYR A 184
LEU A 460
ASP A 461
LYS A 464
 None
 1.06A 3lslA-5mi0A:
undetectable
3lslD-5mi0A:
undetectable		 3lslA-5mi0A:
21.64
3lslD-5mi0A:
21.64
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.
5my0 FATTY ACID SYNTHASE

(Mus musculus) 		no annotation 4 SER B 114
MET B 139
LEU B  79
ASP B  76
 None
 1.45A 3lslA-5my0B:
undetectable
3lslD-5my0B:
undetectable		 3lslA-5my0B:
undetectable
3lslD-5my0B:
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.
5nkz PEROXIN 22

(Ogataea angusta) 		no annotation 4 SER D 121
ASN D 124
LEU D 143
ASP D 144
 None
 1.34A 3lslA-5nkzD:
2.7
3lslD-5nkzD:
2.8		 3lslA-5nkzD:
undetectable
3lslD-5nkzD:
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 4 SER A  41
MET A  31
ASN A  53
LEU A  43
 None
 1.44A 3lslA-5no8A:
undetectable
3lslD-5no8A:
undetectable		 3lslA-5no8A:
18.84
3lslD-5no8A:
18.84
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.
5ns8 -

(-) 		no annotation 4 ASN A  60
LEU A  63
ASP A  64
LYS A  67
 None
 0.97A 3lslA-5ns8A:
undetectable
3lslD-5ns8A:
undetectable		 3lslA-5ns8A:
undetectable
3lslD-5ns8A:
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.
5u70 POTASSIUM CHANNEL
SUBFAMILY T MEMBER 1

(Gallus gallus) 		PF03493
(BK_channel_a)
PF07885
(Ion_trans_2) 		4 SER A 779
MET A 832
LEU A 811
ASP A 812
 None
 1.41A 3lslA-5u70A:
undetectable
3lslD-5u70A:
undetectable		 3lslA-5u70A:
13.21
3lslD-5u70A:
13.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5um6 UBIQUITIN-ACTIVATING
ENZYME E1 1

(Schizosaccharomyces
pombe) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		4 TYR A 383
ASN A 140
LEU A 268
ASP A 165
 None
 1.27A 3lslA-5um6A:
undetectable
3lslD-5um6A:
undetectable		 3lslA-5um6A:
14.19
3lslD-5um6A:
14.19
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.
5vxl INVASIN IPAD

(Shigella
flexneri) 		PF06511
(IpaD) 		4 SER A  86
TYR A 301
ASN A 146
LEU A 150
 None
 1.43A 3lslA-5vxlA:
undetectable
3lslD-5vxlA:
undetectable		 3lslA-5vxlA:
21.36
3lslD-5vxlA:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wel CHIMERA OF GLUTAMATE
RECEPTOR 2, GERM
CELL-SPECIFIC GENE
1-LIKE PROTEIN

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF07803
(GSG-1)
PF10613
(Lig_chan-Glu_bd) 		4 TYR A 424
MET A 496
LEU A 759
ASP A 760
 None
 0.50A 3lslA-5welA:
32.2
3lslD-5welA:
32.5		 3lslA-5welA:
66.67
3lslD-5welA:
66.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wel CHIMERA OF GLUTAMATE
RECEPTOR 2, GERM
CELL-SPECIFIC GENE
1-LIKE PROTEIN

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF07803
(GSG-1)
PF10613
(Lig_chan-Glu_bd) 		4 TYR A 424
MET A 496
LEU A 759
LYS A 763
 None
 0.92A 3lslA-5welA:
32.2
3lslD-5welA:
32.5		 3lslA-5welA:
66.67
3lslD-5welA:
66.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		4 TYR A 424
MET A 496
LEU A 759
ASP A 760
 None
CYZ  A1302 (-4.3A)
None
CYZ  A1302 (-3.8A)
 0.50A 3lslA-5weoA:
25.4
3lslD-5weoA:
25.3		 3lslA-5weoA:
66.67
3lslD-5weoA:
66.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		4 TYR A 424
MET A 496
LEU A 759
LYS A 763
 None
CYZ  A1302 (-4.3A)
None
CYZ  A1302 (-2.9A)
 1.20A 3lslA-5weoA:
25.4
3lslD-5weoA:
25.3		 3lslA-5weoA:
66.67
3lslD-5weoA:
66.67
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.
5xbl CRISPR-ASSOCIATED
ENDONUCLEASE
CAS9/CSN1

(Streptococcus
pyogenes) 		PF13395
(HNH_4)
PF16592
(Cas9_REC)
PF16593
(Cas9-BH)
PF16595
(Cas9_PI) 		4 TYR A 521
ASN A 668
LEU A 680
ASP A 681
 None
 1.27A 3lslA-5xblA:
undetectable
3lslD-5xblA:
undetectable		 3lslA-5xblA:
11.93
3lslD-5xblA:
11.93
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.
5y33 ALGINATE LYASE

(Flavobacterium
sp. UMI-01) 		no annotation 4 TYR A 115
ASN A 193
LEU A 192
ASP A 106
 None
 1.40A 3lslA-5y33A:
undetectable
3lslD-5y33A:
undetectable		 3lslA-5y33A:
undetectable
3lslD-5y33A:
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.
5yeu -

(-) 		no annotation 4 TYR A 252
ASN A 163
LEU A 166
ASP A 167
 None
 1.09A 3lslA-5yeuA:
undetectable
3lslD-5yeuA:
undetectable		 3lslA-5yeuA:
undetectable
3lslD-5yeuA:
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.
5z9x SMALL RNA DEGRADING
NUCLEASE 1

(Arabidopsis
thaliana) 		no annotation 4 SER A 125
TYR A 109
ASN A  78
ASP A 235
 None
 1.21A 3lslA-5z9xA:
undetectable
3lslD-5z9xA:
undetectable		 3lslA-5z9xA:
undetectable
3lslD-5z9xA:
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.
6bm7 S-ADENOSYLMETHIONINE
DECARBOXYLASE BETA
CHAIN

(Trypanosoma
brucei) 		no annotation 4 MET A  13
LEU A  10
ASP A   6
LYS A   5
 None
 1.30A 3lslA-6bm7A:
undetectable
3lslD-6bm7A:
undetectable		 3lslA-6bm7A:
undetectable
3lslD-6bm7A:
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.
6bnl NKT VALPHA14 (MOUSE)
- 2C12 TCR - HYBRID
MOUSE VARIABLE AND
HUMAN CONSTANT
DOMAINS

(Homo sapiens) 		no annotation 4 TYR C  24
LEU C  66
ASP C  67
LYS C  71
 None
 1.45A 3lslA-6bnlC:
undetectable
3lslD-6bnlC:
undetectable		 3lslA-6bnlC:
undetectable
3lslD-6bnlC:
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC2

(Saccharomyces
cerevisiae) 		no annotation 4 SER B 222
TYR B 348
ASN B 203
LEU B 335
 None
 1.45A 3lslA-6f42B:
undetectable
3lslD-6f42B:
undetectable		 3lslA-6f42B:
undetectable
3lslD-6f42B:
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC2

(Saccharomyces
cerevisiae) 		no annotation 4 SER B 223
TYR B 348
ASN B 203
LEU B 335
 None
 1.39A 3lslA-6f42B:
undetectable
3lslD-6f42B:
undetectable		 3lslA-6f42B:
undetectable
3lslD-6f42B:
undetectable