SIMILAR PATTERNS OF AMINO ACIDS FOR 2AYL_B_FLPB2701_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.
1au8 CATHEPSIN G

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU A  68
ILE A  64
ALA A  85
SER A 109
LEU A 108
 None
 1.01A 2aylB-1au8A:
0.0		 2aylB-1au8A:
18.43
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.
1b43 PROTEIN (FEN-1)

(Pyrococcus
furiosus) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 VAL A 214
LEU A 218
LEU A 211
ILE A   4
GLY A   5
 None
 0.98A 2aylB-1b43A:
0.0		 2aylB-1b43A:
18.31
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.
1dq3 ENDONUCLEASE

(Pyrococcus
furiosus) 		PF09061
(Stirrup)
PF09062
(Endonuc_subdom)
PF14528
(LAGLIDADG_3)
PF14890
(Intein_splicing) 		5 LEU A 261
ILE A 243
GLY A 245
ALA A 244
LEU A 317
 None
 0.87A 2aylB-1dq3A:
0.0		 2aylB-1dq3A:
20.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		11 ARG A 120
VAL A 349
LEU A 352
TYR A 355
LEU A 359
TYR A 385
TRP A 387
ILE A 523
GLY A 526
ALA A 527
LEU A 531
 SCL  A 700 (-3.9A)
SCL  A 700 ( 4.6A)
SCL  A 700 ( 4.8A)
SCL  A 700 (-4.3A)
None
None
None
SCL  A 700 (-3.4A)
SCL  A 700 ( 4.0A)
SCL  A 700 (-2.9A)
OAS  A 530 (-4.1A)
 0.35A 2aylB-1ebvA:
63.1		 2aylB-1ebvA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i8d RIBOFLAVIN SYNTHASE

(Escherichia
coli) 		PF00677
(Lum_binding) 		5 VAL A  59
LEU A  28
GLY A  39
ALA A  40
LEU A  36
 None
 1.03A 2aylB-1i8dA:
0.0		 2aylB-1i8dA:
17.26
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.
1jgc BACTERIOFERRITIN

(Rhodobacter
capsulatus) 		PF00210
(Ferritin) 		5 VAL A 131
LEU A 134
TYR A  25
GLY A  93
LEU A  98
 None
 1.08A 2aylB-1jgcA:
undetectable		 2aylB-1jgcA:
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.
1n12 MATURE FIMBRIAL
PROTEIN PAPE

(Escherichia
coli) 		PF00419
(Fimbrial) 		5 VAL A  57
LEU A 144
ILE A 109
GLY A 107
LEU A 120
 None
 0.91A 2aylB-1n12A:
undetectable		 2aylB-1n12A:
12.70
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.
1pzx HYPOTHETICAL PROTEIN
APC36103

(Geobacillus
stearothermophilus) 		PF02645
(DegV) 		5 LEU A  91
ILE A 263
GLY A 272
ALA A 271
LEU A 169
 PLM  A 702 ( 4.5A)
PLM  A 702 (-4.4A)
None
PLM  A 702 ( 4.7A)
None
 0.99A 2aylB-1pzxA:
undetectable		 2aylB-1pzxA:
20.57
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.
1qhg ATP-DEPENDENT
HELICASE PCRA

(Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 VAL A  40
LEU A  41
GLY A 250
ALA A  31
LEU A 282
 None
 1.04A 2aylB-1qhgA:
1.3		 2aylB-1qhgA:
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.
1qhh PROTEIN (PCRA
(SUBUNIT))

(Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 VAL A  40
LEU A  41
GLY B 250
ALA A  31
LEU B 282
 None
 1.05A 2aylB-1qhhA:
undetectable		 2aylB-1qhhA:
14.78
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.
1vsq MANNOSE-SPECIFIC
PHOSPHOTRANSFERASE
ENZYME IIB COMPONENT

(Escherichia
coli) 		PF03830
(PTSIIB_sorb) 		5 VAL C 250
LEU C 253
LEU C 294
ILE C 164
ALA C 167
 None
 0.91A 2aylB-1vsqC:
undetectable		 2aylB-1vsqC:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y7x MAJOR VAULT PROTEIN

(Homo sapiens) 		PF01505
(Vault) 		5 LEU A  66
LEU A  36
ILE A  59
GLY A  94
ALA A  95
 None
 0.93A 2aylB-1y7xA:
undetectable		 2aylB-1y7xA:
11.07
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.
1yfm FUMARASE

(Saccharomyces
cerevisiae) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 LEU A 185
ILE A 237
ALA A 241
SER A 243
LEU A 244
 None
 1.08A 2aylB-1yfmA:
undetectable		 2aylB-1yfmA:
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.
2a0u INITIATION FACTOR 2B

(Leishmania
major) 		PF01008
(IF-2B) 		5 VAL A 179
TYR A 294
GLY A 163
ALA A 164
LEU A 168
 None
 1.06A 2aylB-2a0uA:
1.2		 2aylB-2a0uA:
20.14
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.
2a1r POLY(A)-SPECIFIC
RIBONUCLEASE PARN

(Homo sapiens) 		PF01424
(R3H)
PF04857
(CAF1) 		5 VAL A 284
LEU A 322
ILE A 274
ALA A 278
SER A 280
 None
 0.93A 2aylB-2a1rA:
undetectable		 2aylB-2a1rA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aiz OUTER MEMBRANE
PROTEIN P6

(Haemophilus
influenzae) 		PF00691
(OmpA) 		5 VAL P  90
LEU P  49
GLY P  68
ALA P 130
LEU P 132
 None
 1.06A 2aylB-2aizP:
undetectable		 2aylB-2aizP:
12.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cu5 CONSERVED
HYPOTHETICAL PROTEIN
TT1486

(Thermus
thermophilus) 		PF01894
(UPF0047) 		5 VAL A  34
LEU A 128
LEU A  36
GLY A 101
LEU A 103
 None
 0.95A 2aylB-2cu5A:
undetectable		 2aylB-2cu5A:
14.88
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.
2gk9 PHOSPHATIDYLINOSITOL
-4-PHOSPHATE
5-KINASE, TYPE II,
GAMMA

(Homo sapiens) 		PF01504
(PIP5K) 		5 LEU A 126
TYR A 189
GLY A  54
ALA A  56
SER A  58
 None
 0.98A 2aylB-2gk9A:
undetectable		 2aylB-2gk9A:
21.84
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.
2o2c GLUCOSE-6-PHOSPHATE
ISOMERASE,
GLYCOSOMAL

(Trypanosoma
brucei) 		PF00342
(PGI) 		5 LEU A 534
ILE A 542
GLY A 540
ALA A 541
LEU A  91
 None
 0.99A 2aylB-2o2cA:
0.0		 2aylB-2o2cA:
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.
2o8s AGR_C_984P

(Agrobacterium
fabrum) 		PF06748
(DUF1217) 		5 LEU A 157
LEU A 162
TYR A  88
GLY A 175
ALA A 171
 None
 1.04A 2aylB-2o8sA:
undetectable		 2aylB-2o8sA:
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.
2pff FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00106
(adh_short)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 VAL A1538
ILE A1641
GLY A1595
ALA A1596
LEU A1600
 None
 0.90A 2aylB-2pffA:
undetectable		 2aylB-2pffA:
13.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pjr PROTEIN (HELICASE
PCRA)

(Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 VAL A  40
LEU A  41
GLY A 250
ALA A  31
LEU A 282
 None
 1.00A 2aylB-2pjrA:
undetectable		 2aylB-2pjrA:
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.
2r98 PUTATIVE
ACETYLGLUTAMATE
SYNTHASE

(Neisseria
gonorrhoeae) 		PF00583
(Acetyltransf_1)
PF00696
(AA_kinase) 		5 VAL A 203
LEU A  26
ILE A  30
GLY A 261
LEU A 267
 None
 1.08A 2aylB-2r98A:
undetectable		 2aylB-2r98A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vlc TYPE 2
RIBOSOME-INACTIVATIN
G PROTEIN CINNAMOMIN
III

(Cinnamomum
camphora) 		PF00161
(RIP)
PF00652
(Ricin_B_lectin) 		5 ARG A 170
VAL A  69
LEU A  67
ILE A 162
ALA A 166
 None
 1.09A 2aylB-2vlcA:
undetectable		 2aylB-2vlcA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w48 SORBITOL OPERON
REGULATOR

(Klebsiella
pneumoniae) 		PF04198
(Sugar-bind)
PF13936
(HTH_38) 		5 VAL A 304
LEU A 303
LEU A 102
GLY A 211
LEU A 124
 None
None
None
GOL  A1316 (-3.1A)
None
 0.97A 2aylB-2w48A:
undetectable		 2aylB-2w48A:
21.42
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.
2xu2 UPF0271 PROTEIN
PA4511

(Pseudomonas
aeruginosa) 		PF03746
(LamB_YcsF) 		5 VAL A 149
LEU A 150
LEU A 169
GLY A 126
LEU A 131
 None
 1.05A 2aylB-2xu2A:
undetectable		 2aylB-2xu2A:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xz8 PEPTIDOGLYCAN-RECOGN
ITION PROTEIN LF

(Drosophila
melanogaster) 		no annotation 5 LEU A 328
LEU A 362
TRP A 315
ALA A 343
LEU A 344
 None
 1.04A 2aylB-2xz8A:
undetectable		 2aylB-2xz8A:
13.20
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.
2y2w ARABINOFURANOSIDASE

(Bifidobacterium
longum) 		PF06964
(Alpha-L-AF_C) 		5 VAL A 108
LEU A 410
GLY A 160
ALA A 159
SER A 156
 None
 1.07A 2aylB-2y2wA:
undetectable		 2aylB-2y2wA:
20.34
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.
2yva DNAA
INITIATOR-ASSOCIATIN
G PROTEIN DIAA

(Escherichia
coli) 		PF13580
(SIS_2) 		5 VAL A 140
LEU A 114
ILE A  27
ALA A  31
LEU A  34
 None
 0.93A 2aylB-2yvaA:
undetectable		 2aylB-2yvaA:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ywd GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Thermus
thermophilus) 		PF01174
(SNO) 		6 VAL A 161
LEU A 160
LEU A 144
GLY A  79
ALA A  84
LEU A 103
 None
 1.20A 2aylB-2ywdA:
undetectable		 2aylB-2ywdA:
16.00
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.
3a3u MENAQUINONE
BIOSYNTHETIC ENZYME

(Thermus
thermophilus) 		PF02621
(VitK2_biosynth) 		5 VAL A 250
LEU A 253
LEU A 270
GLY A 177
ALA A 178
 None
None
None
TLA  A 401 ( 4.4A)
None
 1.01A 2aylB-3a3uA:
undetectable		 2aylB-3a3uA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d45 POLY(A)-SPECIFIC
RIBONUCLEASE PARN

(Mus musculus) 		PF01424
(R3H)
PF04857
(CAF1)
PF08675
(RNA_bind) 		5 VAL A 277
LEU A 315
ILE A 267
ALA A 271
SER A 273
 None
 0.95A 2aylB-3d45A:
undetectable		 2aylB-3d45A:
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.
3e7w D-ALANINE--POLY(PHOS
PHORIBITOL) LIGASE
SUBUNIT 1

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		6 LEU A   4
TYR A 203
LEU A 206
GLY A  71
SER A  36
LEU A  32
 None
 1.43A 2aylB-3e7wA:
undetectable		 2aylB-3e7wA:
20.75
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.
3efb PROBABLE SOR-OPERON
REGULATOR

(Shigella
flexneri) 		PF04198
(Sugar-bind) 		5 VAL A 254
LEU A 253
LEU A  52
GLY A 161
LEU A  74
 None
 0.94A 2aylB-3efbA:
undetectable		 2aylB-3efbA:
19.85
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.
3f2i ALR0221 PROTEIN

(Nostoc sp. PCC
7120) 		PF00300
(His_Phos_1) 		5 LEU A  40
TRP A 156
ILE A   6
GLY A 136
ALA A 135
 None
 1.05A 2aylB-3f2iA:
undetectable		 2aylB-3f2iA:
17.09
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.
3g6l CHITINASE

(Clonostachys
rosea) 		PF00704
(Glyco_hydro_18) 		5 VAL A  70
LEU A  71
LEU A 115
ALA A 383
LEU A  62
 None
 1.08A 2aylB-3g6lA:
undetectable		 2aylB-3g6lA:
21.51
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.
3gi8 UNCHARACTERIZED
PROTEIN MJ0609

(Methanocaldococcus
jannaschii) 		PF13520
(AA_permease_2) 		5 LEU C 162
ILE C 276
GLY C 279
ALA C 280
SER C 283
 None
 0.92A 2aylB-3gi8C:
undetectable		 2aylB-3gi8C:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hhf TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY

(Neisseria
meningitidis) 		no annotation 5 VAL B 237
LEU B 191
LEU B 239
GLY B 233
LEU B 253
 None
 0.94A 2aylB-3hhfB:
undetectable		 2aylB-3hhfB:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hhg TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY

(Neisseria
meningitidis) 		PF00126
(HTH_1)
PF03466
(LysR_substrate) 		5 VAL A 237
LEU A 191
LEU A 239
GLY A 233
LEU A 253
 None
 0.96A 2aylB-3hhgA:
undetectable		 2aylB-3hhgA:
18.89
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.
3ib7 ICC PROTEIN

(Mycobacterium
tuberculosis) 		PF00149
(Metallophos) 		5 VAL A 252
LEU A  16
ALA A 202
SER A 222
LEU A 204
 None
 1.05A 2aylB-3ib7A:
undetectable		 2aylB-3ib7A:
21.08
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.
3la2 GLOBAL NITROGEN
REGULATOR

(Nostoc sp. PCC
7120) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		5 VAL A 108
LEU A 112
GLY A  76
SER A  79
LEU A  80
 None
None
AKG  A 224 (-3.1A)
None
None
 0.99A 2aylB-3la2A:
undetectable		 2aylB-3la2A:
18.51
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.
3lfu DNA HELICASE II

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 VAL A  38
LEU A  39
GLY A 247
ALA A  29
LEU A 279
 None
 1.06A 2aylB-3lfuA:
undetectable		 2aylB-3lfuA:
20.81
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.
3nix FLAVOPROTEIN/DEHYDRO
GENASE

(Cytophaga
hutchinsonii) 		PF01494
(FAD_binding_3) 		5 ARG A 105
LEU A  56
GLY A 307
ALA A 308
LEU A  48
 FAD  A 501 (-2.6A)
None
FAD  A 501 (-3.0A)
FAD  A 501 (-3.0A)
None
 1.02A 2aylB-3nixA:
undetectable		 2aylB-3nixA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p8l GERANYLTRANSTRANSFER
ASE

(Enterococcus
faecalis) 		PF00348
(polyprenyl_synt) 		5 LEU A 135
LEU A 123
ILE A 186
GLY A 189
ALA A 187
 None
 1.08A 2aylB-3p8lA:
undetectable		 2aylB-3p8lA:
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.
3pov ORF 37

(Human
gammaherpesvirus
8) 		PF01771
(Herpes_alk_exo) 		5 LEU A 453
LEU A 478
ILE A 143
GLY A 217
SER A 210
 None
 0.82A 2aylB-3povA:
undetectable		 2aylB-3povA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q1y LIN2199 PROTEIN

(Listeria
innocua) 		PF00294
(PfkB) 		5 LEU A  41
ILE A  59
GLY A  61
ALA A  60
LEU A  68
 None
 1.05A 2aylB-3q1yA:
undetectable		 2aylB-3q1yA:
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.
3r5g CYAB

(Pseudomonas
aeruginosa) 		PF00211
(Guanylate_cyc) 		5 LEU A 228
TYR A 336
GLY A 291
ALA A 292
LEU A 381
 None
 1.07A 2aylB-3r5gA:
undetectable		 2aylB-3r5gA:
17.72
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.
3s2u UDP-N-ACETYLGLUCOSAM
INE--N-ACETYLMURAMYL
-(PENTAPEPTIDE)
PYROPHOSPHORYL-UNDEC
APRENOL
N-ACETYLGLUCOSAMINE
TRANSFERASE

(Pseudomonas
aeruginosa) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		5 VAL A  47
LEU A  46
LEU A  52
GLY A  10
ALA A   9
 None
 1.08A 2aylB-3s2uA:
undetectable		 2aylB-3s2uA:
20.14
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.
3tfy N-ALPHA-ACETYLTRANSF
ERASE 50, NATE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00583
(Acetyltransf_1) 		5 VAL A  11
TYR A  36
TYR A  50
GLY A  57
ALA A  58
 None
 1.03A 2aylB-3tfyA:
undetectable		 2aylB-3tfyA:
14.60
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.
3tw8 DENN
DOMAIN-CONTAINING
PROTEIN 1B

(Homo sapiens) 		PF02141
(DENN)
PF03455
(dDENN)
PF03456
(uDENN) 		5 LEU A 186
ILE A 210
GLY A 212
ALA A 214
LEU A 217
 None
 1.04A 2aylB-3tw8A:
undetectable		 2aylB-3tw8A:
21.51
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.
3u4a JMB19063

(compost
metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 VAL A 518
LEU A 517
LEU A 555
GLY A 387
LEU A 412
 None
 1.00A 2aylB-3u4aA:
undetectable		 2aylB-3u4aA:
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.
3wig DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A 192
LEU A 207
ILE A 247
GLY A 251
SER A 253
 None
 0.98A 2aylB-3wigA:
undetectable		 2aylB-3wigA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wp5 CDBFV

(Neocallimastix
patriciarum) 		PF00457
(Glyco_hydro_11) 		5 LEU A  59
GLY A 204
ALA A 203
SER A  95
LEU A 117
 None
 1.06A 2aylB-3wp5A:
undetectable		 2aylB-3wp5A:
17.77
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.
4asi ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		5 LEU A1737
GLY A1842
ALA A1841
SER A1844
LEU A1868
 None
 1.03A 2aylB-4asiA:
undetectable		 2aylB-4asiA:
21.39
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.
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 0.91A 2aylB-4c13A:
undetectable		 2aylB-4c13A:
20.28
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.
4df1 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Pyrobaculum
neutrophilum) 		PF00215
(OMPdecase) 		5 LEU A   7
ILE A 176
GLY A 178
ALA A  10
LEU A  11
 None
BMP  A 301 ( 4.6A)
BMP  A 301 (-3.4A)
BMP  A 301 ( 3.9A)
None
 1.05A 2aylB-4df1A:
undetectable		 2aylB-4df1A:
15.76
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.
4dwq TRNA-SPLICING LIGASE
RTCB

(Pyrococcus
horikoshii) 		PF01139
(RtcB) 		5 VAL A 147
LEU A 148
GLY A 191
ALA A 192
LEU A 139
 None
 1.03A 2aylB-4dwqA:
undetectable		 2aylB-4dwqA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eel BETA-PHOSPHOGLUCOMUT
ASE-RELATED PROTEIN

(Deinococcus
radiodurans) 		PF13419
(HAD_2) 		5 LEU A 189
ILE A  90
GLY A  92
ALA A  93
LEU A  97
 None
 0.65A 2aylB-4eelA:
undetectable		 2aylB-4eelA:
19.42
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.
4etz PELD

(Pseudomonas
aeruginosa) 		PF13492
(GAF_3)
PF16963
(PelD_GGDEF) 		5 VAL A 188
LEU A 191
LEU A 203
ALA A 300
LEU A 267
 None
 1.01A 2aylB-4etzA:
undetectable		 2aylB-4etzA:
20.83
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.
4f6c AUSA REDUCTASE
DOMAIN PROTEIN

(Staphylococcus
aureus) 		PF07993
(NAD_binding_4) 		5 VAL A2229
TYR A2203
GLY A2133
ALA A2132
LEU A2056
 None
 1.08A 2aylB-4f6cA:
undetectable		 2aylB-4f6cA:
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.
4heq FLAVODOXIN

(Desulfovibrio
gigas) 		PF00258
(Flavodoxin_1) 		5 VAL A  53
LEU A   5
GLY A  45
ALA A  81
LEU A  83
 None
 1.01A 2aylB-4heqA:
undetectable		 2aylB-4heqA:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hqn SPOROZOITE SURFACE
PROTEIN 2

(Plasmodium
vivax) 		PF00090
(TSP_1)
PF00092
(VWA) 		5 LEU A 168
LEU A 133
GLY A 200
ALA A 199
LEU A 181
 None
 1.09A 2aylB-4hqnA:
undetectable		 2aylB-4hqnA:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ict CYTOCHROME P450 121

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 VAL A 149
LEU A 150
LEU A 109
GLY A 234
LEU A 350
 None
None
None
HEM  A 405 (-3.5A)
HEM  A 405 ( 4.6A)
 1.05A 2aylB-4ictA:
1.9		 2aylB-4ictA:
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.
4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE

([Bacillus]
clarkii) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		6 VAL A 479
TYR A 411
LEU A 420
ILE A 424
ALA A 337
LEU A 384
 None
 1.31A 2aylB-4jcmA:
undetectable		 2aylB-4jcmA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jxt REGULATION OF
NUCLEAR PRE-MRNA
DOMAIN-CONTAINING
PROTEIN 1A

(Homo sapiens) 		PF04818
(CTD_bind) 		5 TYR A 117
LEU A 125
ILE A  67
ALA A  63
LEU A  60
 UNX  A 202 ( 4.9A)
None
None
None
None
 1.05A 2aylB-4jxtA:
undetectable		 2aylB-4jxtA:
12.84
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.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 VAL A3299
LEU A3063
LEU A3301
TYR A3067
GLY A3413
 None
 0.88A 2aylB-4kc5A:
undetectable		 2aylB-4kc5A:
20.09
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.
4kl0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Xanthomonas
oryzae) 		PF01156
(IU_nuc_hydro) 		5 VAL A 253
LEU A 227
GLY A 246
ALA A 245
LEU A 241
 None
 1.05A 2aylB-4kl0A:
undetectable		 2aylB-4kl0A:
21.25
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.
4ky0 PROTON/GLUTAMATE
SYMPORTER, SDF
FAMILY

(Thermococcus
kodakarensis) 		PF00375
(SDF) 		5 VAL A 153
LEU A 154
GLY A 309
ALA A 310
LEU A 284
 None
 1.00A 2aylB-4ky0A:
undetectable		 2aylB-4ky0A:
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.
4luj OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Methanocaldococcus
jannaschii) 		PF00215
(OMPdecase) 		5 VAL A  47
LEU A  24
ILE A 209
GLY A 211
ALA A  27
 None
None
BMP  A 301 ( 4.4A)
BMP  A 301 (-3.5A)
BMP  A 301 ( 3.7A)
 1.07A 2aylB-4lujA:
undetectable		 2aylB-4lujA:
16.42
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.
4mxw LYMPHOTOXIN-BETA

(Homo sapiens) 		no annotation 5 VAL Y 219
LEU Y 163
LEU Y 135
GLY Y 216
LEU Y 127
 None
 1.08A 2aylB-4mxwY:
undetectable		 2aylB-4mxwY:
18.17
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.
4oye 425AA LONG
HYPOTHETICAL PROTON
GLUTAMATE SYMPORT
PROTEIN

(Pyrococcus
horikoshii) 		PF00375
(SDF) 		5 VAL A 151
LEU A 152
GLY A 306
ALA A 307
LEU A 282
 None
 1.01A 2aylB-4oyeA:
undetectable		 2aylB-4oyeA:
21.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		10 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.57A 2aylB-4ph9A:
59.4		 2aylB-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		10 ARG A 121
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
GLY A 527
ALA A 528
LEU A 532
 BOG  A 604 ( 3.7A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
 0.32A 2aylB-4ph9A:
59.4		 2aylB-4ph9A:
64.31
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.
4rni MOTILITY REGULATOR

(Pseudomonas
aeruginosa) 		PF00563
(EAL) 		5 LEU A 169
ILE A 203
ALA A 207
SER A 209
LEU A 210
 None
 1.09A 2aylB-4rniA:
undetectable		 2aylB-4rniA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v2i ESTERASE/LIPASE

(Thalassospira
sp. GB04J01) 		PF07859
(Abhydrolase_3) 		5 LEU A 207
LEU A 290
GLY A  87
ALA A  86
LEU A  35
 None
 1.04A 2aylB-4v2iA:
undetectable		 2aylB-4v2iA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yj1 UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF09818
(ABC_ATPase) 		5 LEU A  72
ILE A 207
GLY A 205
ALA A 206
LEU A 194
 None
 0.98A 2aylB-4yj1A:
undetectable		 2aylB-4yj1A:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yry DIHYDROPYRIMIDINE
DEHYDROGENASE
SUBUNIT A

(Thermotoga
maritima) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 VAL B 261
LEU B 258
ILE B 388
ALA B 298
LEU B 301
 None
 0.92A 2aylB-4yryB:
undetectable		 2aylB-4yryB:
22.72
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.
5a33 RNA2 POLYPROTEIN

(Cowpea mosaic
virus) 		PF02248
(Como_SCP) 		5 VAL A 161
LEU A  74
ILE A  39
GLY A  37
LEU A  34
 None
 0.97A 2aylB-5a33A:
undetectable		 2aylB-5a33A:
16.27
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.
5che PROTEIN FLUORESCENT
IN BLUE LIGHT,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF13424
(TPR_12) 		5 VAL E 270
LEU E 271
ILE E 290
GLY E 288
ALA E 289
 None
 0.83A 2aylB-5cheE:
undetectable		 2aylB-5cheE:
15.37
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.
5dus ORF1A

(Middle East
respiratory
syndrome-related
coronavirus) 		PF01661
(Macro) 		5 VAL A 158
LEU A 162
GLY A 128
ALA A 127
LEU A 124
 None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.9A)
None
 0.89A 2aylB-5dusA:
undetectable		 2aylB-5dusA:
15.58
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.
5ex2 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Hirschia
baltica) 		PF00160
(Pro_isomerase) 		5 TYR A  58
LEU A 211
ILE A  49
GLY A 187
LEU A 171
 None
 0.96A 2aylB-5ex2A:
undetectable		 2aylB-5ex2A:
18.17
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.
5foe GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
2,THROMBOSPONDIN-1

(Caenorhabditis
elegans;
Homo sapiens) 		PF00090
(TSP_1)
PF10250
(O-FucT) 		5 LEU A 326
ILE A 305
GLY A 307
ALA A 309
LEU A 312
 None
 1.05A 2aylB-5foeA:
undetectable		 2aylB-5foeA:
19.93
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.
5i47 RIMK DOMAIN PROTEIN
ATP-GRASP

(Sphaerobacter
thermophilus) 		PF08443
(RimK) 		5 VAL A 234
LEU A 180
TYR A 232
ILE A 224
LEU A  96
 None
 1.09A 2aylB-5i47A:
undetectable		 2aylB-5i47A:
21.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		11 ARG A 120
VAL A 349
LEU A 352
TYR A 355
LEU A 359
TYR A 385
TRP A 387
GLY A 526
ALA A 527
SER A 530
LEU A 531
 ID8  A 601 ( 4.4A)
ID8  A 601 (-3.9A)
ID8  A 601 (-4.1A)
ID8  A 601 (-3.8A)
None
ID8  A 601 ( 3.5A)
COH  A 602 (-4.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-2.7A)
ID8  A 601 (-3.5A)
 0.44A 2aylB-5ikrA:
59.4		 2aylB-5ikrA:
63.88
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.
5jir OOP FAMILY OMPA-OMPF
PORIN

(Treponema
pallidum) 		no annotation 5 LEU B 273
LEU B 308
ILE B 290
ALA B 295
LEU B 299
 None
 1.02A 2aylB-5jirB:
undetectable		 2aylB-5jirB:
22.92
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.
5jkj ESTERASE E22

(uncultured
bacterium) 		PF00561
(Abhydrolase_1) 		5 LEU A 304
LEU A 117
GLY A 239
SER A 243
LEU A 244
 None
 1.04A 2aylB-5jkjA:
undetectable		 2aylB-5jkjA:
19.44
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.
5jxr CHROMATIN-REMODELING
COMPLEX ATPASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF00176
(SNF2_N)
PF00271
(Helicase_C) 		5 VAL A 174
LEU A 594
ILE A 191
GLY A 193
ALA A 192
 None
 0.85A 2aylB-5jxrA:
0.1		 2aylB-5jxrA:
20.32
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.
5k7l POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY H
MEMBER 1

(Rattus
norvegicus) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF13426
(PAS_9) 		5 LEU A 580
ILE A 602
ALA A 632
SER A 630
LEU A 674
 None
 0.92A 2aylB-5k7lA:
undetectable		 2aylB-5k7lA:
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.
5kin TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Streptococcus
pneumoniae) 		PF00290
(Trp_syntA) 		5 VAL A 208
LEU A 209
LEU A 200
ILE A 151
GLY A 172
 None
 1.08A 2aylB-5kinA:
undetectable		 2aylB-5kinA:
20.55
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.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT

(Escherichia
coli) 		PF03814
(KdpA) 		5 LEU A 416
LEU A 388
ALA A 504
SER A 506
LEU A 507
 BOG  A 604 (-4.5A)
None
None
BOG  A 604 ( 4.0A)
None
 1.04A 2aylB-5mrwA:
1.4		 2aylB-5mrwA:
21.97
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.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 VAL A4309
LEU A4312
TRP A4320
GLY A4152
ALA A4155
 None
 1.08A 2aylB-5nugA:
undetectable		 2aylB-5nugA:
8.17
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.
5vae ACCESSORY SEC SYSTEM
PROTEIN ASP1

(Streptococcus
gordonii) 		no annotation 5 LEU A 422
GLY A 451
ALA A 450
SER A 449
LEU A 312
 None
 1.01A 2aylB-5vaeA:
undetectable		 2aylB-5vaeA:
9.20
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.
5vym BETA-GALACTOSIDASE
BGAB

(Bifidobacterium
adolescentis) 		PF08532
(Glyco_hydro_42M) 		6 LEU A 119
LEU A  77
TYR A 107
GLY A 109
ALA A 110
LEU A  69
 None
 1.49A 2aylB-5vymA:
undetectable		 2aylB-5vymA:
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.
5xbk IMPORTIN-4

(Homo sapiens) 		no annotation 6 VAL D 803
LEU D 804
ILE D 839
GLY D 836
ALA D 838
LEU D 772
 None
 1.24A 2aylB-5xbkD:
undetectable		 2aylB-5xbkD:
9.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xpg UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		no annotation 5 LEU A 174
LEU A 270
TRP A 128
GLY A 149
LEU A 279
 None
 1.07A 2aylB-5xpgA:
undetectable		 2aylB-5xpgA:
10.30
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.
5y35 -

(-) 		no annotation 5 VAL B   7
LEU B 182
ILE B  74
GLY B  42
LEU B 233
 None
 0.92A 2aylB-5y35B:
undetectable		 2aylB-5y35B:
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.
6dll P-HYDROXYBENZOATE
HYDROXYLASE

(Pseudomonas
putida) 		no annotation 5 LEU A 325
ILE A 155
GLY A 157
ALA A 156
LEU A 309
 None
 1.00A 2aylB-6dllA:
undetectable		 2aylB-6dllA:
10.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fai ESSENTIAL NUCLEAR
PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 5 VAL i 307
LEU i 283
ILE i 337
GLY i 339
ALA i 338
 None
None
U  21269 ( 3.8A)
None
None
 1.08A 2aylB-6faii:
undetectable		 2aylB-6faii:
8.32
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.
6fzv PROCOLLAGEN
C-ENDOPEPTIDASE
ENHANCER 1

(Homo sapiens) 		no annotation 5 VAL D 228
LEU D 227
LEU D 175
GLY D 136
LEU D 145
 None
 1.02A 2aylB-6fzvD:
undetectable		 2aylB-6fzvD:
9.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbn -

(-) 		no annotation 5 VAL A 142
LEU A 143
ILE A 156
GLY A 155
LEU A 128
 None
 1.08A 2aylB-6gbnA:
undetectable		 2aylB-6gbnA:
undetectable