SIMILAR PATTERNS OF AMINO ACIDS FOR 2AYL_A_FLPA1701

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.
1dkp PHYTASE

(Escherichia
coli) 		PF00328
(His_Phos_2) 		5 VAL A  32
LEU A 177
LEU A 170
GLY A 209
ALA A 210
 None
 1.12A 2aylA-1dkpA:
undetectable		 2aylA-1dkpA:
20.31
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
PHE A 518
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
None
SCL  A 700 ( 4.0A)
SCL  A 700 (-2.9A)
OAS  A 530 (-4.1A)
 0.40A 2aylA-1ebvA:
63.4		 2aylA-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
 1.01A 2aylA-1i8dA:
0.0		 2aylA-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.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		5 VAL A 507
LEU A 511
LEU A 504
GLY A 538
ALA A 467
 None
 1.08A 2aylA-1itkA:
0.0		 2aylA-1itkA:
21.09
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.
1miq PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		5 LEU A 124
TYR A 100
GLY A 127
ALA A  38
SER A  37
 None
 1.09A 2aylA-1miqA:
undetectable		 2aylA-1miqA:
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.
1oaa SEPIAPTERIN
REDUCTASE

(Mus musculus) 		PF00106
(adh_short) 		6 VAL A 153
LEU A 140
PHE A 251
GLY A 254
ALA A 186
LEU A 185
 None
 1.18A 2aylA-1oaaA:
undetectable		 2aylA-1oaaA:
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.
1od5 GLYCININ

(Glycine max) 		PF00190
(Cupin_1) 		6 VAL A  47
LEU A 146
LEU A 421
GLY A  44
ALA A  43
LEU A  40
 None
 1.48A 2aylA-1od5A:
0.0		 2aylA-1od5A:
21.27
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.
1od6 PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE

(Thermus
thermophilus) 		PF01467
(CTP_transf_like) 		5 VAL A 146
LEU A 145
GLY A 140
ALA A 136
LEU A 154
 None
 1.04A 2aylA-1od6A:
undetectable		 2aylA-1od6A:
13.76
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.
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
 1.06A 2aylA-1qhgA:
1.3		 2aylA-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
 1.07A 2aylA-1qhhA:
undetectable		 2aylA-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.
1s2x CAG-Z

(Helicobacter
pylori) 		PF09053
(CagZ) 		5 VAL A  52
LEU A  49
LEU A  39
GLY A 146
LEU A 131
 None
 1.11A 2aylA-1s2xA:
undetectable		 2aylA-1s2xA:
17.16
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.
1sng COG4826: SERINE
PROTEASE INHIBITOR

(Thermobifida
fusca) 		PF00079
(Serpin) 		5 VAL A 221
LEU A 213
LEU A 219
PHE A 172
LEU A 305
 None
 1.09A 2aylA-1sngA:
0.0		 2aylA-1sngA:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT

(Pseudomonas
putida) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 VAL C 165
LEU C  14
PHE C 151
GLY C 112
ALA C  73
 FAD  C4931 ( 3.9A)
None
None
FAD  C4931 ( 4.6A)
FAD  C4931 (-3.6A)
 1.11A 2aylA-1t3qC:
0.0		 2aylA-1t3qC:
21.30
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT

(Pseudomonas
putida) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 VAL C 165
PHE C 151
GLY C 112
ALA C  73
LEU C  59
 FAD  C4931 ( 3.9A)
None
FAD  C4931 ( 4.6A)
FAD  C4931 (-3.6A)
None
 1.09A 2aylA-1t3qC:
0.0		 2aylA-1t3qC:
21.30
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.
1tkc TRANSKETOLASE

(Saccharomyces
cerevisiae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ARG A 333
LEU A 146
GLY A 432
ALA A 433
LEU A 334
 None
 1.11A 2aylA-1tkcA:
undetectable		 2aylA-1tkcA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ve5 THREONINE DEAMINASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 VAL A 177
PHE A  50
GLY A 185
ALA A 184
LEU A 246
 PLP  A 413 ( 4.4A)
PLP  A 413 (-4.6A)
None
None
None
 1.06A 2aylA-1ve5A:
0.9		 2aylA-1ve5A:
20.48
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.
1w5d PENICILLIN-BINDING
PROTEIN

(Bacillus
subtilis) 		PF02113
(Peptidase_S13) 		5 VAL A  76
LEU A 281
LEU A  93
ALA A 110
LEU A 257
 None
 1.10A 2aylA-1w5dA:
undetectable		 2aylA-1w5dA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.10A 2aylA-2a0uA:
undetectable		 2aylA-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.
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
 1.07A 2aylA-2aizP:
undetectable		 2aylA-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.
2bng MB2760

(Mycobacterium
tuberculosis) 		PF07858
(LEH) 		5 LEU A  28
TYR A  46
TRP A 120
PHE A  24
ALA A  61
 None
 1.09A 2aylA-2bngA:
undetectable		 2aylA-2bngA:
15.38
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.
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus) 		PF04989
(CmcI) 		5 LEU A  88
LEU A  96
PHE A 145
GLY A 137
LEU A 119
 None
 1.07A 2aylA-2br4A:
undetectable		 2aylA-2br4A:
17.18
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.
2c2n MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Homo sapiens) 		PF00698
(Acyl_transf_1) 		5 VAL A  51
LEU A  54
LEU A  46
PHE A 132
ALA A  91
 None
 1.07A 2aylA-2c2nA:
undetectable		 2aylA-2c2nA:
19.78
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.
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
 0.85A 2aylA-2cu5A:
undetectable		 2aylA-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.
2dph FORMALDEHYDE
DISMUTASE

(Pseudomonas
putida) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 236
GLY A 280
ALA A 281
SER A 284
LEU A 285
 NAD  A1403 (-4.7A)
NAD  A1403 ( 4.4A)
NAD  A1403 ( 4.0A)
None
None
 1.11A 2aylA-2dphA:
undetectable		 2aylA-2dphA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.05A 2aylA-2gk9A:
undetectable		 2aylA-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.
2huj LIN2004 PROTEIN

(Listeria
innocua) 		PF08807
(DUF1798) 		5 VAL A 110
LEU A 114
LEU A 107
ALA A  55
LEU A  72
 None
 1.06A 2aylA-2hujA:
undetectable		 2aylA-2hujA:
14.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i34 ACID PHOSPHATASE

(Bacillus
anthracis) 		PF03767
(Acid_phosphat_B) 		5 VAL A  70
LEU A  71
GLY A 142
ALA A 143
LEU A 110
 None
 0.90A 2aylA-2i34A:
undetectable		 2aylA-2i34A:
19.12
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.
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
 1.08A 2aylA-2o8sA:
undetectable		 2aylA-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.
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
 1.03A 2aylA-2pjrA:
undetectable		 2aylA-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.
2qpx PREDICTED
METAL-DEPENDENT
HYDROLASE OF THE
TIM-BARREL FOLD

(Lactobacillus
paracasei) 		PF04909
(Amidohydro_2) 		5 LEU A 243
LEU A 175
GLY A 272
ALA A 271
LEU A 261
 None
 1.12A 2aylA-2qpxA:
undetectable		 2aylA-2qpxA:
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.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT

(Methanosarcina
mazei) 		PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 VAL A 274
LEU A 278
TYR A 293
GLY A 296
ALA A 299
 None
 1.11A 2aylA-2xr1A:
undetectable		 2aylA-2xr1A:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.06A 2aylA-2y2wA:
undetectable		 2aylA-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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN

(Prochlorococcus
marinus) 		PF00142
(Fer4_NifH) 		5 VAL A 152
LEU A 153
GLY A 160
ALA A 162
LEU A 165
 None
 1.11A 2aylA-2ynmA:
undetectable		 2aylA-2ynmA:
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.
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
 1.27A 2aylA-2ywdA:
undetectable		 2aylA-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.
2ywd GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Thermus
thermophilus) 		PF01174
(SNO) 		6 VAL A 161
LEU A 160
LEU A 144
PHE A 171
ALA A  84
LEU A 103
 None
 1.37A 2aylA-2ywdA:
undetectable		 2aylA-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 2aylA-3a3uA:
undetectable		 2aylA-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.
3bwv PUTATIVE
5'(3')-DEOXYRIBONUCL
EOTIDASE

(Staphylococcus
epidermidis) 		PF06941
(NT5C) 		5 VAL A  77
LEU A  80
LEU A 113
PHE A 174
LEU A  14
 None
 1.05A 2aylA-3bwvA:
undetectable		 2aylA-3bwvA:
17.22
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.
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
 1.39A 2aylA-3e7wA:
undetectable		 2aylA-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.
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
 0.87A 2aylA-3hhfB:
undetectable		 2aylA-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
 0.91A 2aylA-3hhgA:
undetectable		 2aylA-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.
3ibj CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I)
PF01590
(GAF)
PF13185
(GAF_2) 		5 VAL A 399
LEU A 403
LEU A 396
ALA A 421
LEU A 424
 None
 1.08A 2aylA-3ibjA:
1.0		 2aylA-3ibjA:
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.
3kty PROBABLE
METHYLTRANSFERASE

(Bordetella
pertussis) 		PF00588
(SpoU_methylase) 		5 VAL A 118
LEU A  81
GLY A 104
ALA A 103
LEU A 165
 None
 1.01A 2aylA-3ktyA:
undetectable		 2aylA-3ktyA:
16.51
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.
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 2aylA-3la2A:
undetectable		 2aylA-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 2aylA-3lfuA:
undetectable		 2aylA-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.
3mbr GLUTAMINE
CYCLOTRANSFERASE

(Xanthomonas
campestris) 		PF05096
(Glu_cyclase_2) 		5 VAL X 163
LEU X 170
TRP X 206
ALA X 185
LEU X 183
 None
 1.06A 2aylA-3mbrX:
undetectable		 2aylA-3mbrX:
16.88
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.
3n3u ADENOSINE
MONOPHOSPHATE-PROTEI
N TRANSFERASE IBPA

(Histophilus
somni) 		PF02661
(Fic) 		5 LEU A3502
PHE A3691
GLY A3706
ALA A3707
SER A3703
 None
 1.00A 2aylA-3n3uA:
undetectable		 2aylA-3n3uA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.96A 2aylA-3nixA:
undetectable		 2aylA-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.
3nuf PRD-CONTAINING
TRANSCRIPTION
REGULATOR

(Lactobacillus
paracasei) 		no annotation 5 VAL A  34
LEU A  37
LEU A  53
ALA A  89
LEU A 107
 None
 1.12A 2aylA-3nufA:
undetectable		 2aylA-3nufA:
12.15
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.
3nyq MALONYL-COA LIGASE

(Streptomyces
coelicolor) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 VAL A 192
LEU A 196
LEU A 290
PHE A   5
ALA A 138
 None
 1.07A 2aylA-3nyqA:
undetectable		 2aylA-3nyqA:
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.
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
 1.06A 2aylA-3tfyA:
undetectable		 2aylA-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.
3tx8 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Corynebacterium
glutamicum) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 VAL A  72
LEU A 160
LEU A  74
GLY A 304
LEU A 367
 None
 1.06A 2aylA-3tx8A:
undetectable		 2aylA-3tx8A:
20.43
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.
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
 1.08A 2aylA-3wp5A:
undetectable		 2aylA-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
 1.01A 2aylA-4asiA:
undetectable		 2aylA-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
 0.92A 2aylA-4c13A:
undetectable		 2aylA-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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 VAL A 578
LEU A 581
LEU A 617
PHE A 523
ALA A 568
 None
None
None
None
EDO  A1990 (-3.4A)
 1.11A 2aylA-4cu8A:
undetectable		 2aylA-4cu8A:
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.
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
 0.93A 2aylA-4dwqA:
undetectable		 2aylA-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.
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
 1.06A 2aylA-4etzA:
undetectable		 2aylA-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
 1.10A 2aylA-4f6cA:
undetectable		 2aylA-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.
4f6t MOLYBDENUM STORAGE
PROTEIN SUBUNIT
ALPHA
MOLYBDENUM STORAGE
PROTEIN SUBUNIT BETA

(Azotobacter
vinelandii) 		PF00696
(AA_kinase) 		5 VAL B  98
LEU B  99
LEU B 154
GLY B  93
LEU A  37
 None
 1.10A 2aylA-4f6tB:
undetectable		 2aylA-4f6tB:
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.
4hc6 HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE

(Mycobacterium
tuberculosis) 		PF01648
(ACPS) 		5 LEU A 105
LEU A  75
GLY A   5
ALA A  63
SER A  67
 None
BR  A 211 ( 4.6A)
None
None
None
 1.12A 2aylA-4hc6A:
undetectable		 2aylA-4hc6A:
14.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4heq FLAVODOXIN

(Desulfovibrio
gigas) 		PF00258
(Flavodoxin_1) 		5 VAL A  53
LEU A   5
GLY A  45
ALA A  81
LEU A  83
 None
 0.94A 2aylA-4heqA:
undetectable		 2aylA-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
 1.00A 2aylA-4hqnA:
undetectable		 2aylA-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.
4iu9 NITRITE EXTRUSION
PROTEIN 2

(Escherichia
coli) 		no annotation 5 VAL B 176
PHE B 356
GLY B 274
ALA B 273
SER B  54
 None
 1.09A 2aylA-4iu9B:
undetectable		 2aylA-4iu9B:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jre NITRITE EXTRUSION
PROTEIN 1

(Escherichia
coli) 		PF07690
(MFS_1) 		5 VAL A 178
PHE A 359
GLY A 276
ALA A 275
SER A  56
 None
 1.01A 2aylA-4jreA:
0.0		 2aylA-4jreA:
21.78
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.
4jxb INVASION-ASSOCIATED
PROTEIN

(Mycobacterium
tuberculosis) 		PF00877
(NLPC_P60) 		5 VAL A 166
LEU A 167
LEU A 122
GLY A  95
LEU A  98
 None
 0.86A 2aylA-4jxbA:
undetectable		 2aylA-4jxbA:
14.02
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.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 VAL A3299
LEU A3063
LEU A3301
TYR A3067
GLY A3413
 None
 0.89A 2aylA-4kc5A:
undetectable		 2aylA-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
 1.03A 2aylA-4kl0A:
undetectable		 2aylA-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
 1.02A 2aylA-4ky0A:
undetectable		 2aylA-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.
4mxw LYMPHOTOXIN-BETA

(Homo sapiens) 		no annotation 5 VAL Y 219
LEU Y 163
LEU Y 135
GLY Y 216
LEU Y 127
 None
 1.06A 2aylA-4mxwY:
undetectable		 2aylA-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.
4ow8 SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase) 		5 VAL A 245
LEU A 248
LEU A 241
PHE A 267
ALA A 118
 None
 0.98A 2aylA-4ow8A:
undetectable		 2aylA-4ow8A:
19.50
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.
4ow8 SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase) 		5 VAL A 245
LEU A 248
PHE A 267
ALA A 118
LEU A 115
 None
 1.10A 2aylA-4ow8A:
undetectable		 2aylA-4ow8A:
19.50
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.
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
 1.03A 2aylA-4oyeA:
undetectable		 2aylA-4oyeA:
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.
4pfs COBYRINIC ACID
A,C-DIAMIDE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF13614
(AAA_31) 		5 VAL A 165
LEU A 169
GLY A 187
ALA A 188
LEU A 155
 None
 1.10A 2aylA-4pfsA:
undetectable		 2aylA-4pfsA:
18.80
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)
 0.64A 2aylA-4ph9A:
59.3		 2aylA-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)
 0.45A 2aylA-4ph9A:
59.3		 2aylA-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) 		9 VAL A 350
LEU A 353
LEU A 360
TYR A 386
TRP A 388
PHE A 519
ALA A 528
SER A 531
LEU A 532
 IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
None
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.88A 2aylA-4ph9A:
59.3		 2aylA-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) 		9 VAL A 350
LEU A 353
LEU A 360
TYR A 386
TRP A 388
PHE A 519
GLY A 527
ALA A 528
LEU A 532
 IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
 0.74A 2aylA-4ph9A:
59.3		 2aylA-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.
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
 1.05A 2aylA-4v2iA:
undetectable		 2aylA-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.
4x3f SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase) 		5 VAL A 245
LEU A 248
LEU A 241
PHE A 267
ALA A 118
 None
 0.96A 2aylA-4x3fA:
undetectable		 2aylA-4x3fA:
19.32
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.
4xfk PUTATIVE BRANCHED
CHAIN AMINO ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Brucella ovis) 		PF13458
(Peripla_BP_6) 		5 TYR A 238
PHE A 317
GLY A 188
ALA A 189
LEU A 194
 ACT  A 500 (-4.4A)
ACT  A 500 ( 4.9A)
NA  A 502 (-3.6A)
ACT  A 500 (-4.2A)
None
 0.85A 2aylA-4xfkA:
undetectable		 2aylA-4xfkA:
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.
5b6a PYRIDOXAL KINASE
PDXY

(Pseudomonas
aeruginosa) 		PF08543
(Phos_pyr_kin) 		5 ARG A 101
LEU A   8
GLY A  71
ALA A  70
LEU A  75
 None
 1.05A 2aylA-5b6aA:
undetectable		 2aylA-5b6aA:
19.49
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.
5c3u L-SERINE
AMMONIA-LYASE

(Rhizomucor
miehei) 		PF00291
(PALP) 		5 VAL A 258
GLY A 283
ALA A 285
SER A 287
LEU A 288
 None
 1.10A 2aylA-5c3uA:
undetectable		 2aylA-5c3uA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.90A 2aylA-5dusA:
undetectable		 2aylA-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.
5ed7 TEGUMENT PROTEIN
UL21

(Human
alphaherpesvirus
1) 		PF03252
(Herpes_UL21) 		5 LEU A 402
LEU A 444
PHE A 398
GLY A 507
ALA A 509
 None
 1.10A 2aylA-5ed7A:
undetectable		 2aylA-5ed7A:
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.
5fg3 PROBABLE TRANSLATION
INITIATION FACTOR
IF-2

(Aeropyrum
pernix) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		5 VAL A 366
LEU A 416
LEU A 420
GLY A 387
LEU A 383
 None
 1.09A 2aylA-5fg3A:
undetectable		 2aylA-5fg3A:
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.
5fii PHENYLALANINE-4-HYDR
OXYLASE

(Homo sapiens) 		PF01842
(ACT) 		5 VAL A  51
LEU A  54
GLY A 103
ALA A 104
LEU A  41
 None
 1.11A 2aylA-5fiiA:
undetectable		 2aylA-5fiiA:
11.13
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)
 0.39A 2aylA-5ikrA:
59.2		 2aylA-5ikrA:
63.88
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) 		8 VAL A 349
LEU A 352
TYR A 385
TRP A 387
PHE A 518
GLY A 526
ALA A 527
SER A 530
 ID8  A 601 (-3.9A)
ID8  A 601 (-4.1A)
ID8  A 601 ( 3.5A)
COH  A 602 (-4.5A)
None
ID8  A 601 (-3.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-2.7A)
 0.80A 2aylA-5ikrA:
59.2		 2aylA-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.
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
 1.09A 2aylA-5jkjA:
undetectable		 2aylA-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.
5jod PROPLASMEPSIN IV

(Plasmodium
falciparum) 		PF00026
(Asp) 		5 LEU A 124
TYR A 100
GLY A 127
ALA A  38
SER A  37
 None
 1.10A 2aylA-5jodA:
undetectable		 2aylA-5jodA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kxf FLOWERING TIME
CONTROL PROTEIN FPA

(Arabidopsis
thaliana) 		PF07744
(SPOC) 		5 VAL A 557
LEU A 546
GLY A 523
ALA A 522
LEU A 483
 None
 1.12A 2aylA-5kxfA:
undetectable		 2aylA-5kxfA:
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.
5ldx NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
11

(Bos taurus) 		PF02466
(Tim17) 		5 VAL Y   4
LEU Y   5
GLY Y  28
ALA Y  30
SER Y  26
 None
 1.08A 2aylA-5ldxY:
undetectable		 2aylA-5ldxY:
11.75
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.
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
 1.10A 2aylA-5mrwA:
0.0		 2aylA-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.
5tp4 AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY

(Burkholderia
ambifaria) 		PF01546
(Peptidase_M20) 		5 ARG A  93
VAL A  97
LEU A 101
TRP A  49
ALA A  20
 EDO  A 506 (-3.6A)
None
None
None
EDO  A 506 ( 4.9A)
 1.10A 2aylA-5tp4A:
0.5		 2aylA-5tp4A:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u2o J30 CCH

(Thermobacillus
composti) 		no annotation 5 VAL A 400
LEU A 401
GLY A 416
ALA A 418
LEU A 421
 None
 1.03A 2aylA-5u2oA:
undetectable		 2aylA-5u2oA:
13.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2aylA-5vaeA:
undetectable		 2aylA-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.
5viq MONOMERIC
NEAR-INFRARED
FLUORESCENT PROTEIN
MIRFP709

(Rhodopseudomonas
palustris) 		PF01590
(GAF)
PF08446
(PAS_2) 		5 LEU A  75
PHE A 246
GLY A  35
ALA A  36
LEU A  58
 None
 0.98A 2aylA-5viqA:
undetectable		 2aylA-5viqA:
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.
5xbk IMPORTIN-4

(Homo sapiens) 		no annotation 5 VAL D 803
LEU D 804
GLY D 836
ALA D 838
LEU D 772
 None
 1.07A 2aylA-5xbkD:
undetectable		 2aylA-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.
6b2q SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		no annotation 5 VAL A 245
LEU A 248
LEU A 241
PHE A 267
ALA A 118
 None
 0.92A 2aylA-6b2qA:
undetectable		 2aylA-6b2qA:
9.81
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.
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
 1.08A 2aylA-6fzvD:
undetectable		 2aylA-6fzvD:
9.47