SIMILAR PATTERNS OF AMINO ACIDS FOR 5D4U_A_SAMA301

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.
1ako EXONUCLEASE III

(Escherichia
coli) 		PF03372
(Exo_endo_phos) 		5 GLY A 150
LEU A  32
ILE A 148
LEU A 232
GLY A  64
 None
 1.08A 5d4uA-1akoA:
undetectable		 5d4uA-1akoA:
21.28
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.
1cg2 CARBOXYPEPTIDASE G2

(Pseudomonas sp.
RS-16) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLY A 138
ILE A 121
LEU A 122
THR A 115
GLY A  56
 None
 1.01A 5d4uA-1cg2A:
undetectable		 5d4uA-1cg2A:
22.67
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.
1d0n HORSE PLASMA
GELSOLIN

(Equus caballus) 		PF00626
(Gelsolin) 		5 GLY A 443
TYR A 520
GLY A 502
GLY A 439
PHE A 539
 None
 1.04A 5d4uA-1d0nA:
undetectable		 5d4uA-1d0nA:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e6w SHORT CHAIN
3-HYDROXYACYL-COA
DEHYDROGENASE

(Rattus
norvegicus) 		PF00106
(adh_short) 		5 GLY A 148
ILE A 189
LEU A 186
GLY A 134
GLY A  83
 None
 1.10A 5d4uA-1e6wA:
6.9		 5d4uA-1e6wA:
23.28
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.
1ee8 MUTM (FPG) PROTEIN

(Thermus
thermophilus) 		PF01149
(Fapy_DNA_glyco)
PF06827
(zf-FPG_IleRS)
PF06831
(H2TH) 		5 LEU A   3
HIS A  67
LEU A 104
GLY A  73
GLY A 206
 None
 1.14A 5d4uA-1ee8A:
undetectable		 5d4uA-1ee8A:
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.
1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE

(Escherichia
coli) 		PF00982
(Glyco_transf_20) 		5 GLY A  22
ILE A  27
HIS A 129
GLY A  29
PHE A 152
 IMD  A 902 (-3.0A)
None
None
None
None
 1.09A 5d4uA-1gz5A:
undetectable		 5d4uA-1gz5A:
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.
1h4p GLUCAN
1,3-BETA-GLUCOSIDASE
I/II

(Saccharomyces
cerevisiae) 		PF00150
(Cellulase) 		5 GLY A 226
ILE A 265
LEU A 255
GLY A 289
GLY A 404
 None
None
None
GOL  A1449 (-3.9A)
None
 1.06A 5d4uA-1h4pA:
undetectable		 5d4uA-1h4pA:
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.
1iu9 ASPARTATE RACEMASE

(Pyrococcus
horikoshii) 		PF01177
(Asp_Glu_race) 		5 GLY A 193
ILE A 211
LEU A 210
GLY A 120
GLY A 131
 None
 1.07A 5d4uA-1iu9A:
undetectable		 5d4uA-1iu9A:
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.
1j85 YIBK

(Haemophilus
influenzae) 		PF00588
(SpoU_methylase) 		5 TYR A  96
ILE A 110
LEU A 111
GLY A 100
PHE A  66
 None
 1.11A 5d4uA-1j85A:
undetectable		 5d4uA-1j85A:
20.58
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.
1m66 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Leishmania
mexicana) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 ILE A 241
MET A 319
LEU A 238
THR A 245
GLY A 202
 None
 1.13A 5d4uA-1m66A:
6.5		 5d4uA-1m66A:
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.
1m7j D-AMINOACYLASE

(Alcaligenes
faecalis) 		PF07969
(Amidohydro_3) 		5 GLY A 147
ILE A  98
HIS A  69
LEU A 112
GLY A 189
 None
None
ZN  A 802 ( 3.0A)
None
None
 1.12A 5d4uA-1m7jA:
undetectable		 5d4uA-1m7jA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1px8 BETA-XYLOSIDASE

(Thermoanaerobacterium
saccharolyticum) 		PF01229
(Glyco_hydro_39) 		5 GLY A 197
HIS A 274
LEU A 271
GLY A 101
PHE A  97
 None
 1.13A 5d4uA-1px8A:
undetectable		 5d4uA-1px8A:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1suw PROBABLE INORGANIC
POLYPHOSPHATE/ATP-NA
D KINASE

(Archaeoglobus
fulgidus) 		PF01513
(NAD_kinase) 		5 GLY A  74
LEU A 241
ILE A  52
THR A  77
GLY A  67
 NAP  A3075 ( 4.7A)
None
None
None
None
 1.09A 5d4uA-1suwA:
undetectable		 5d4uA-1suwA:
21.20
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.
1w5e FTSZ

(Methanocaldococcus
jannaschii) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A 104
ILE A  87
THR A 135
GLY A  46
GLY A 176
 None
None
GTP  A 500 (-3.6A)
GTP  A 500 (-2.7A)
None
 1.11A 5d4uA-1w5eA:
5.2		 5d4uA-1w5eA:
22.75
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.
1z1e STILBENE SYNTHASE

(Arachis
hypogaea) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A 256
HIS A 161
THR A 264
GLY A 262
GLY A 211
 None
 0.99A 5d4uA-1z1eA:
undetectable		 5d4uA-1z1eA:
24.16
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.
1z9d URIDYLATE KINASE

(Streptococcus
pyogenes) 		PF00696
(AA_kinase) 		5 ILE A 198
LEU A 196
THR A 236
GLY A 168
GLY A 231
 None
 1.05A 5d4uA-1z9dA:
undetectable		 5d4uA-1z9dA:
22.41
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.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
ALPHA-CHAIN,
MITOCHONDRIAL
SUCCINYL-COA LIGASE
[GDP-FORMING]
BETA-CHAIN,
MITOCHONDRIAL

(Sus scrofa;
Sus scrofa) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
PF00549
(Ligase_CoA)
PF08442
(ATP-grasp_2) 		5 GLY B 328
ILE A 145
HIS A  31
GLY B 298
PHE A  30
 None
 1.05A 5d4uA-2fpgB:
2.4		 5d4uA-2fpgB:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g0y PENTAPEPTIDE REPEAT
PROTEIN

(Cyanothece sp.
ATCC 51142) 		PF00805
(Pentapeptide) 		5 LEU A  59
THR A 100
GLY A 123
GLY A  61
PHE A 104
 None
 1.04A 5d4uA-2g0yA:
undetectable		 5d4uA-2g0yA:
23.21
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.
2i0z NAD(FAD)-UTILIZING
DEHYDROGENASES

(Bacillus cereus) 		PF03486
(HI0933_like) 		5 GLY A 387
ILE A 401
LEU A 405
GLY A  11
GLY A 175
 FAD  A 501 (-3.2A)
FAD  A 501 (-3.6A)
None
FAD  A 501 (-3.4A)
None
 1.01A 5d4uA-2i0zA:
2.9		 5d4uA-2i0zA:
22.49
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.
2i53 CYCLIN K

(Homo sapiens) 		PF00134
(Cyclin_N)
PF02984
(Cyclin_C) 		5 GLY A  96
TYR A  77
LEU A 102
HIS A  79
GLY A 104
 None
 0.96A 5d4uA-2i53A:
undetectable		 5d4uA-2i53A:
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.
2icg LIN2918 PROTEIN

(Listeria
innocua) 		PF14568
(SUKH_6) 		5 GLY A  65
LEU A  56
ILE A  97
LEU A  38
PHE A 143
 None
 1.05A 5d4uA-2icgA:
undetectable		 5d4uA-2icgA:
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.
2ics ADENINE DEAMINASE

(Enterococcus
faecalis) 		PF01979
(Amidohydro_1) 		5 GLY A  82
TYR A 369
ILE A 360
THR A 332
GLY A 365
 None
 1.13A 5d4uA-2icsA:
undetectable		 5d4uA-2icsA:
24.02
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.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 GLY A  30
LEU A 307
LEU A  67
GLY A  60
GLY A 304
 GLY  A  30 ( 0.0A)
LEU  A 307 ( 0.6A)
LEU  A  67 ( 0.6A)
GLY  A  60 ( 0.0A)
GLY  A 304 ( 0.0A)
 0.92A 5d4uA-2nvvA:
2.4		 5d4uA-2nvvA:
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.
2r6r CELL DIVISION
PROTEIN FTSZ

(Aquifex
aeolicus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY 1  74
ILE 1  57
THR 1 105
GLY 1  16
GLY 1 146
 None
None
GDP  1 339 (-4.3A)
GDP  1 339 (-3.5A)
None
 1.05A 5d4uA-2r6r1:
3.7		 5d4uA-2r6r1:
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.
2vxy CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A  78
ILE A  61
THR A 109
GLY A  20
GLY A 150
 None
None
CIT  A 401 (-3.6A)
CIT  A 401 (-3.5A)
None
 0.88A 5d4uA-2vxyA:
3.7		 5d4uA-2vxyA:
21.89
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.
2xy9 ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		5 GLY A 494
TYR A 492
LEU A 488
GLY A 615
PHE A 237
 None
 1.01A 5d4uA-2xy9A:
undetectable		 5d4uA-2xy9A:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y27 PHENYLACETATE-COENZY
ME A LIGASE

(Burkholderia
cenocepacia) 		PF00501
(AMP-binding)
PF14535
(AMP-binding_C_2) 		5 GLY A 238
LEU A 116
TRP A 113
GLY A 213
GLY A 150
 GOL  A 505 ( 3.4A)
None
None
ATP  A 508 ( 3.9A)
None
 1.09A 5d4uA-2y27A:
3.7		 5d4uA-2y27A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zuy YESX PROTEIN

(Bacillus
subtilis) 		PF01839
(FG-GAP) 		5 GLY A 153
TYR A 151
ILE A 176
LEU A 172
GLY A 179
 None
 1.12A 5d4uA-2zuyA:
undetectable		 5d4uA-2zuyA:
18.95
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.
3au9 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Plasmodium
falciparum) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 LEU A 159
ILE A  82
LEU A  94
GLY A  84
GLY A 161
 None
None
None
NDP  A 501 (-3.6A)
None
 1.14A 5d4uA-3au9A:
3.1		 5d4uA-3au9A:
21.04
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.
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 174
LEU A 179
ILE A  41
HIS A  39
THR A 173
 None
None
None
None
TLA  A 502 (-3.6A)
 1.03A 5d4uA-3d46A:
undetectable		 5d4uA-3d46A:
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.
3e49 UNCHARACTERIZED
PROTEIN DUF849 WITH
A TIM BARREL FOLD

(Paraburkholderia
xenovorans) 		PF05853
(BKACE) 		6 ILE A 157
LEU A  98
THR A 166
GLY A 162
GLY A 301
PHE A 170
 None
 1.42A 5d4uA-3e49A:
undetectable		 5d4uA-3e49A:
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.
3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Azotobacter
vinelandii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 164
LEU A 169
ILE A  32
HIS A  30
THR A 163
 None
None
None
None
TLA  A 501 ( 3.8A)
 1.07A 5d4uA-3ekgA:
undetectable		 5d4uA-3ekgA:
19.90
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.
3f4k PUTATIVE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF13649
(Methyltransf_25) 		5 GLY A 254
TYR A 252
LEU A 140
GLY A 187
PHE A 129
 None
 1.13A 5d4uA-3f4kA:
5.2		 5d4uA-3f4kA:
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.
3g25 GLYCEROL KINASE

(Staphylococcus
aureus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 LEU A 301
THR A 352
GLY A 284
GLY A 349
PHE A 135
 None
 1.03A 5d4uA-3g25A:
undetectable		 5d4uA-3g25A:
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.
3grf ORNITHINE
CARBAMOYLTRANSFERASE

(Giardia
intestinalis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 GLY A 219
ILE A 211
HIS A 215
GLY A 180
GLY A 157
 None
 0.72A 5d4uA-3grfA:
2.2		 5d4uA-3grfA:
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.
3h1s SUPEROXIDE DISMUTASE

(Francisella
tularensis) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 LEU A 145
ILE A  64
HIS A  48
LEU A  42
GLY A  62
 None
 1.09A 5d4uA-3h1sA:
undetectable		 5d4uA-3h1sA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hbu SECRETED PROTEASE C

(Dickeya
chrysanthemi) 		PF00353
(HemolysinCabind)
PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		5 LEU P 107
ILE P 131
LEU P  76
GLY P 191
GLY P 244
 None
 1.11A 5d4uA-3hbuP:
undetectable		 5d4uA-3hbuP:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hww 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Escherichia
coli) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		5 GLY A  97
LEU A  63
THR A  96
GLY A 414
GLY A 314
 None
 1.00A 5d4uA-3hwwA:
undetectable		 5d4uA-3hwwA:
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.
3i2n WD REPEAT-CONTAINING
PROTEIN 92

(Homo sapiens) 		PF00400
(WD40) 		5 TYR A 105
LEU A  97
THR A  85
GLY A  71
GLY A 109
 None
 1.07A 5d4uA-3i2nA:
undetectable		 5d4uA-3i2nA:
23.38
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.
3i6r DIHYDROOROTATE
DEHYDROGENASE
HOMOLOG,
MITOCHONDRIAL

(Plasmodium
falciparum) 		PF01180
(DHO_dh) 		5 HIS A 185
LEU A 187
GLY A 192
GLY A 241
PHE A 227
 J5Z  A1001 (-4.0A)
None
None
None
J5Z  A1001 (-4.4A)
 1.00A 5d4uA-3i6rA:
undetectable		 5d4uA-3i6rA:
21.61
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.
3ico 6-PHOSPHOGLUCONOLACT
ONASE

(Mycobacterium
tuberculosis) 		PF01182
(Glucosamine_iso) 		5 GLY A 229
LEU A 234
ILE A 191
HIS A 143
GLY A 226
 None
 1.04A 5d4uA-3icoA:
4.4		 5d4uA-3icoA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k7d GLUTAMATE-AMMONIA-LI
GASE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF03710
(GlnE)
PF08335
(GlnD_UR_UTase) 		5 LEU A 702
MET A 736
GLY A 759
GLY A 689
PHE A 706
 None
None
None
SO4  A  16 ( 3.9A)
None
 1.11A 5d4uA-3k7dA:
undetectable		 5d4uA-3k7dA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mvd REGULATOR OF
CHROMOSOME
CONDENSATION

(Drosophila
melanogaster) 		PF00415
(RCC1) 		5 LEU K 190
ILE K 298
THR K 249
GLY K 300
GLY K 134
 None
 1.08A 5d4uA-3mvdK:
undetectable		 5d4uA-3mvdK:
18.98
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.
3n4k RNA
METHYLTRANSFERASE

(Yersinia pestis) 		PF00588
(SpoU_methylase) 		5 TYR A 101
ILE A 115
LEU A 116
GLY A 105
PHE A  66
 None
None
None
SAH  A 201 (-3.1A)
None
 1.12A 5d4uA-3n4kA:
undetectable		 5d4uA-3n4kA:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nzp ARGININE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF02784
(Orn_Arg_deC_N) 		5 GLY A 322
LEU A  85
ILE A 319
GLY A 272
GLY A 111
 PLP  A 701 (-3.3A)
None
None
PLP  A 701 ( 4.2A)
None
 1.09A 5d4uA-3nzpA:
undetectable		 5d4uA-3nzpA:
18.70
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.
3oee ATP SYNTHASE SUBUNIT
ALPHA

(Saccharomyces
cerevisiae) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 GLY A  74
LEU A  34
LEU A 283
GLY A  63
GLY A  31
 None
 1.12A 5d4uA-3oeeA:
undetectable		 5d4uA-3oeeA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pqv RCL1 PROTEIN

(Kluyveromyces
lactis) 		PF01137
(RTC)
PF05189
(RTC_insert) 		5 GLY A 302
TYR A 298
ILE A 351
THR A 178
GLY A 144
 None
 1.00A 5d4uA-3pqvA:
undetectable		 5d4uA-3pqvA:
22.66
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.
3qe7 URACIL PERMEASE

(Escherichia
coli) 		PF00860
(Xan_ur_permease) 		5 TYR A  68
ILE A  65
LEU A 257
THR A 303
GLY A  63
 None
 1.08A 5d4uA-3qe7A:
undetectable		 5d4uA-3qe7A:
22.27
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.
3s6c BETA-2-MICROGLOBULIN
, T-CELL SURFACE
GLYCOPROTEIN CD1E,
MEMBRANE-ASSOCIATED

(Homo sapiens) 		PF07654
(C1-set)
PF16497
(MHC_I_3) 		5 LEU A 154
HIS A  34
MET A   8
LEU A  28
GLY A 165
 None
 1.12A 5d4uA-3s6cA:
undetectable		 5d4uA-3s6cA:
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.
3t7b ACETYLGLUTAMATE
KINASE

(Yersinia pestis) 		PF00696
(AA_kinase) 		5 LEU A 178
TRP A 236
ILE A 184
LEU A 185
GLY A   9
 None
None
None
None
GLU  A 258 ( 4.0A)
 1.11A 5d4uA-3t7bA:
undetectable		 5d4uA-3t7bA:
23.76
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.
3uow GMP SYNTHETASE

(Plasmodium
falciparum) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		5 GLY A 204
LEU A  55
ILE A 192
LEU A 183
GLY A  57
 None
 1.13A 5d4uA-3uowA:
2.3		 5d4uA-3uowA:
21.18
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.
3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE

(Citrus x
microcarpa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A 256
ILE A 258
THR A 264
GLY A 262
GLY A 211
 GLY  A 256 ( 0.0A)
ILE  A 258 ( 0.4A)
THR  A 264 ( 0.8A)
GLY  A 262 ( 0.0A)
GLY  A 211 ( 0.0A)
 1.11A 5d4uA-3wd7A:
undetectable		 5d4uA-3wd7A:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wgk CELL DIVISION
PROTEIN FTSZ

(Staphylococcus
aureus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A  78
ILE A  61
THR A 109
GLY A  20
GLY A 150
 None
None
GDP  A 400 (-3.3A)
GDP  A 400 (-3.5A)
None
 0.96A 5d4uA-3wgkA:
3.5		 5d4uA-3wgkA:
21.05
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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		5 GLY A 361
ILE A 375
LEU A 379
GLY A  12
GLY A 174
 FAD  A1392 (-3.2A)
FAD  A1392 (-4.2A)
None
FAD  A1392 (-3.4A)
None
 1.06A 5d4uA-4cnkA:
undetectable		 5d4uA-4cnkA:
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.
4fix UDP-GALACTOFURANOSYL
TRANSFERASE GLFT2

(Mycobacterium
tuberculosis) 		PF13641
(Glyco_tranf_2_3) 		5 GLY A 299
LEU A 295
THR A 388
GLY A 284
GLY A 376
 None
 1.14A 5d4uA-4fixA:
undetectable		 5d4uA-4fixA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM)
PF07496
(zf-CW) 		5 TYR A 698
HIS A 459
GLY A 677
GLY A 682
PHE A 461
 None
 1.13A 5d4uA-4hsuA:
2.8		 5d4uA-4hsuA:
16.86
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.
4jlv C-TERMINAL FRAGMENT
OF MEMBRANE PROTEIN
CAPA1, PUTATIVE
UNCHARACTERIZED
PROTEIN CAPB1

(Staphylococcus
aureus) 		PF13614
(AAA_31) 		5 GLY A1096
ILE A1101
LEU A1134
GLY A1103
PHE A1147
 None
 1.04A 5d4uA-4jlvA:
3.0		 5d4uA-4jlvA:
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.
4kdz TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Escherichia
coli) 		PF00588
(SpoU_methylase) 		5 TYR A  96
ILE A 110
LEU A 111
GLY A 100
PHE A  66
 None
 1.03A 5d4uA-4kdzA:
undetectable		 5d4uA-4kdzA:
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.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 5 GLY A 727
LEU A 449
THR A 725
GLY A 724
GLY A  60
 None
None
None
None
EDO  A 805 (-3.7A)
 0.96A 5d4uA-4lgnA:
undetectable		 5d4uA-4lgnA:
15.26
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.
4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Thermomonospora
curvata) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		5 GLY A 290
LEU A 179
LEU A 317
GLY A 237
GLY A 212
 None
 1.08A 5d4uA-4lrsA:
undetectable		 5d4uA-4lrsA:
22.10
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.
4n1a CELL
DIVISIONFTSK/SPOIIIE

(Thermomonospora
curvata) 		PF01580
(FtsK_SpoIIIE) 		5 GLY A1294
TYR A1312
LEU A1071
THR A1310
GLY A1093
 ATP  A1402 ( 3.7A)
ATP  A1402 (-4.9A)
None
ATP  A1402 (-4.7A)
None
 1.13A 5d4uA-4n1aA:
undetectable		 5d4uA-4n1aA:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nn0 COMPLEMENT C1Q TUMOR
NECROSIS
FACTOR-RELATED
PROTEIN 5

(Homo sapiens) 		PF00386
(C1q) 		5 LEU A 123
TRP A 206
HIS A 156
GLY A 229
GLY A 141
 None
 1.15A 5d4uA-4nn0A:
undetectable		 5d4uA-4nn0A:
18.75
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.
4nv7 ARYLAMINE
N-ACETYLTRANSFERASE

(Mesorhizobium
japonicum) 		PF00797
(Acetyltransf_2) 		6 GLY A 129
TYR A  72
LEU A 176
GLY A 132
GLY A  70
PHE A 204
 None
COA  A 301 ( 4.4A)
None
COA  A 301 (-3.6A)
None
COA  A 301 ( 4.8A)
 1.35A 5d4uA-4nv7A:
undetectable		 5d4uA-4nv7A:
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.
4oc9 PUTATIVE
O-ACETYLHOMOSERINE
(THIOL)-LYASE

(Campylobacter
jejuni) 		PF01053
(Cys_Met_Meta_PP) 		5 GLY A  77
ILE A 199
HIS A 201
GLY A  74
GLY A  12
 None
 0.90A 5d4uA-4oc9A:
4.0		 5d4uA-4oc9A:
22.38
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.
4r8f VACUOLAR
AMINOPEPTIDASE 1

(Saccharomyces
cerevisiae) 		PF02127
(Peptidase_M18) 		5 GLY A 304
LEU A 291
ILE A 297
GLY A 410
GLY A  86
 None
 1.11A 5d4uA-4r8fA:
undetectable		 5d4uA-4r8fA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u39 CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A  78
ILE A  61
THR A 109
GLY A  20
GLY A 150
 None
None
PO4  A 401 (-4.1A)
PO4  A 401 (-3.3A)
None
 0.94A 5d4uA-4u39A:
3.8		 5d4uA-4u39A:
23.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4win GMP SYNTHETASE

(Plasmodium
falciparum) 		PF00117
(GATase) 		5 GLY A 204
LEU A  55
ILE A 192
LEU A 183
GLY A  57
 None
None
None
None
NO3  A1002 (-3.9A)
 1.13A 5d4uA-4winA:
undetectable		 5d4uA-4winA:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4woq N-ACETYLNEURAMINATE
LYASE

(Clostridioides
difficile) 		PF00701
(DHDPS) 		5 LEU A  22
ILE A 114
LEU A 144
GLY A  92
GLY A  60
 None
 1.05A 5d4uA-4woqA:
undetectable		 5d4uA-4woqA:
24.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgk UDP-GALACTOPYRANOSE
MUTASE

(Corynebacterium
diphtheriae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 GLY A 360
TYR A 246
THR A 240
GLY A  10
PHE A 222
 None
None
FDA  A 403 ( 4.6A)
FDA  A 403 (-3.1A)
FDA  A 403 (-4.6A)
 1.00A 5d4uA-4xgkA:
2.7		 5d4uA-4xgkA:
23.16
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.
4ybr NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF01467
(CTP_transf_like) 		5 GLY A  11
HIS A  17
THR A 106
GLY A 107
GLY A   7
 NAP  A 301 (-3.4A)
NAP  A 301 (-4.0A)
NAP  A 301 (-3.4A)
NAP  A 301 (-3.1A)
None
 1.07A 5d4uA-4ybrA:
undetectable		 5d4uA-4ybrA:
23.51
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.
4z3n PUTATIVE DRUG/SODIUM
ANTIPORTER

(Escherichia
coli) 		PF01554
(MatE) 		6 GLY A 318
ILE A 100
LEU A  96
THR A 315
GLY A 179
PHE A  24
 None
 1.35A 5d4uA-4z3nA:
undetectable		 5d4uA-4z3nA:
20.04
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.
4zo3 ACYLHOMOSERINE
LACTONASE

(Chryseobacterium
sp. StRB126) 		PF00753
(Lactamase_B) 		5 GLY A  58
LEU A  55
ILE A  60
HIS A 305
THR A 121
 None
None
C6L  A 403 ( 4.7A)
ZN  A 402 ( 3.3A)
None
 1.08A 5d4uA-4zo3A:
undetectable		 5d4uA-4zo3A:
22.50
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.
5c5x AQUAPORIN-5

(Homo sapiens) 		PF00230
(MIP) 		5 GLY A 166
LEU A  56
HIS A 173
LEU A 171
GLY A  66
 None
 0.99A 5d4uA-5c5xA:
undetectable		 5d4uA-5c5xA:
19.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5d5t UNCHARACTERIZED
PROTEIN MJ0489

(Methanocaldococcus
jannaschii) 		PF06690
(DUF1188) 		6 GLY A  54
ILE A  78
LEU A  97
THR A 118
GLY A 122
GLY A 184
 None
 0.58A 5d4uA-5d5tA:
36.0		 5d4uA-5d5tA:
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.
5egw CYSTEINE PROTEASE

(Ambrosia
artemisiifolia) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		5 GLY A 290
TRP A 312
LEU A 197
GLY A 195
GLY A 150
 None
 1.13A 5d4uA-5egwA:
undetectable		 5d4uA-5egwA:
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.
5eqd UDP-GALACTOPYRANOSE
MUTASE

(Mycolicibacterium
smegmatis) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 GLY A 371
TYR A 259
THR A 253
GLY A  23
PHE A 235
 None
None
FAD  A 501 (-4.5A)
FAD  A 501 (-3.1A)
FAD  A 501 (-4.6A)
 1.01A 5d4uA-5eqdA:
undetectable		 5d4uA-5eqdA:
20.79
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.
5ex2 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Hirschia
baltica) 		PF00160
(Pro_isomerase) 		5 GLY A  60
ILE A  77
LEU A  81
GLY A  56
PHE A 169
 None
 0.78A 5d4uA-5ex2A:
undetectable		 5d4uA-5ex2A:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f75 THIOCYANATE
DEHYDROGENASE

(Thioalkalivibrio
paradoxus) 		no annotation 5 GLY A 282
ILE A 225
LEU A 266
GLY A 202
GLY A 158
 None
 1.13A 5d4uA-5f75A:
undetectable		 5d4uA-5f75A:
17.88
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.
5fkr ENDO-1,4-BETA-GLUCAN
ASE/XYLOGLUCANASE,
PUTATIVE, GLY74A

(Cellvibrio
japonicus) 		no annotation 5 GLY A 756
LEU A 481
THR A 754
GLY A 753
GLY A  92
 None
 0.98A 5d4uA-5fkrA:
undetectable		 5d4uA-5fkrA:
16.83
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.
5gnx BETA-GLUCOSIDASE

(metagenome) 		PF00232
(Glyco_hydro_1) 		5 GLY A 222
TRP A 166
LEU A 258
GLY A 207
GLY A 217
 None
 1.07A 5d4uA-5gnxA:
undetectable		 5d4uA-5gnxA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hvn 3-DEHYDROQUINATE
SYNTHASE

(Francisella
tularensis) 		PF01761
(DHQ_synthase) 		5 GLY A 112
ILE A 145
LEU A  80
GLY A 155
GLY A 140
 None
 0.97A 5d4uA-5hvnA:
undetectable		 5d4uA-5hvnA:
23.01
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.
5ijg CYS/MET METABOLISM
PYRIDOXAL-PHOSPHATE-
DEPENDENT ENZYME

(Brucella
melitensis) 		PF01053
(Cys_Met_Meta_PP) 		5 GLY A 244
TYR A 242
ILE A 250
GLY A 252
GLY A 221
 None
 0.99A 5d4uA-5ijgA:
4.7		 5d4uA-5ijgA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ja1 ENTEROBACTIN
SYNTHASE COMPONENT F

(Escherichia
coli) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 GLY A 261
HIS A 299
LEU A 309
GLY A 429
GLY A 800
 None
 1.14A 5d4uA-5ja1A:
2.6		 5d4uA-5ja1A:
10.57
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.
5kku POLYKETIDE SYNTHASE
TYPE I

(Bacillus
amyloliquefaciens) 		PF14765
(PS-DH) 		5 TYR A  43
ILE A  91
LEU A  76
THR A  37
GLY A  35
 None
 1.12A 5d4uA-5kkuA:
undetectable		 5d4uA-5kkuA:
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.
5kte DIVALENT METAL
CATION TRANSPORTER
MNTH

(Deinococcus
radiodurans) 		PF01566
(Nramp) 		5 GLY A 223
LEU A 374
ILE A 423
GLY A 216
GLY A 295
 None
 1.04A 5d4uA-5kteA:
undetectable		 5d4uA-5kteA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mqm GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN

(Bacteroides
thetaiotaomicron) 		PF17132
(Glyco_hydro_106) 		5 GLY A 463
LEU A 342
LEU A 128
THR A 543
GLY A 338
 None
 1.14A 5d4uA-5mqmA:
undetectable		 5d4uA-5mqmA:
13.28
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.
5mux 2-METHYLCITRATE
DEHYDRATASE

(Bacillus
subtilis) 		no annotation 5 GLY A  38
ILE A 448
GLY A  70
GLY A 110
PHE A 466
 None
 1.07A 5d4uA-5muxA:
undetectable		 5d4uA-5muxA:
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.
5n4c PROLYL
OLIGOPEPTIDASE

(Galerina
marginata) 		no annotation 5 GLY A 498
ILE A 527
GLY A 495
GLY A 603
PHE A 550
 None
 1.03A 5d4uA-5n4cA:
undetectable		 5d4uA-5n4cA:
16.23
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.
5nzb PROFILIN-2

(Betula pendula) 		no annotation 5 ILE A  27
THR A  99
GLY A 125
GLY A  82
PHE A 105
 None
 1.14A 5d4uA-5nzbA:
undetectable		 5d4uA-5nzbA:
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.
5o3w PEPTIDE CYCLASE 1

(Gypsophila
vaccaria) 		no annotation 5 GLY A 483
ILE A 512
GLY A 480
GLY A 587
PHE A 535
 None
 1.07A 5d4uA-5o3wA:
undetectable		 5d4uA-5o3wA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5o4m HCGC

(Methanococcus
maripaludis) 		PF06690
(DUF1188) 		9 GLY A  49
TYR A  51
LEU A  52
ILE A  73
LEU A  91
THR A 113
GLY A 117
GLY A 176
PHE A 213
 SAH  A 301 (-3.4A)
None
SAH  A 301 ( 4.3A)
SAH  A 301 (-3.9A)
SAH  A 301 ( 3.9A)
SAH  A 301 ( 4.1A)
SAH  A 301 (-3.4A)
9KH  A 302 ( 3.3A)
SAH  A 301 (-4.8A)
 0.40A 5d4uA-5o4mA:
36.1		 5d4uA-5o4mA:
51.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5o4m HCGC

(Methanococcus
maripaludis) 		PF06690
(DUF1188) 		5 TYR A  51
LEU A  52
GLY A 116
GLY A 176
PHE A 213
 None
SAH  A 301 ( 4.3A)
None
9KH  A 302 ( 3.3A)
SAH  A 301 (-4.8A)
 0.89A 5d4uA-5o4mA:
36.1		 5d4uA-5o4mA:
51.09
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.
5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 GLY A 556
ILE A 595
LEU A 583
GLY A 586
GLY A 552
 None
None
None
EDO  A 904 (-3.5A)
None
 1.14A 5d4uA-5okoA:
undetectable		 5d4uA-5okoA:
22.67
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.
5u24 PUTATIVE
AMINOTRANSFERASE

(Campylobacter
jejuni) 		PF01041
(DegT_DnrJ_EryC1) 		5 GLY A  58
ILE A 195
LEU A  64
GLY A  54
GLY A 187
 7SG  A 402 (-3.5A)
None
None
None
None
 1.00A 5d4uA-5u24A:
3.3		 5d4uA-5u24A:
22.37
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.
5wue UNCHARACTERIZED
PROTEIN

(Sulfolobus
acidocaldarius) 		PF03458
(UPF0126) 		5 GLY A  50
LEU A  57
THR A 131
GLY A 110
GLY A  16
 None
 1.13A 5d4uA-5wueA:
undetectable		 5d4uA-5wueA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 ILE A 446
LEU A 519
GLY A 487
GLY A 387
PHE A 449
 None
 1.13A 5d4uA-6arxA:
undetectable		 5d4uA-6arxA:
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.
6aun PLA2G6, IPLA2BETA

(Cricetulus
griseus) 		no annotation 5 GLY A 463
LEU A 470
THR A 464
GLY A 599
GLY A 436
 None
 1.14A 5d4uA-6aunA:
undetectable		 5d4uA-6aunA:
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.
6b07 FARNESYL DIPHOSPHATE
SYNTHASE

(Choristoneura
fumiferana) 		no annotation 5 LEU A 106
ILE A 279
MET A 391
THR A 249
GLY A 133
 None
None
None
C6M  A 401 ( 4.9A)
None
 1.09A 5d4uA-6b07A:
undetectable		 5d4uA-6b07A:
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.
6cy1 SIGNAL RECOGNITION
PARTICLE RECEPTOR
FTSY

(Elizabethkingia
anophelis) 		no annotation 5 GLY A 276
ILE A 281
GLY A 242
GLY A  19
PHE A 304
 None
 1.00A 5d4uA-6cy1A:
undetectable		 5d4uA-6cy1A:
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5

(Mus musculus) 		no annotation 5 LEU L 216
MET L 314
LEU L 283
GLY L 228
GLY L 181
 None
None
None
3PE  L 701 (-3.9A)
None
 1.14A 5d4uA-6g2jL:
undetectable		 5d4uA-6g2jL:
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.
1rf5 5-ENOLPYRUVYLSHIKIMA
TE-3-PHOSPHATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		4 LYS A 170
ASP A  19
GLU A 197
THR A 192
 None
 1.04A 5d4uA-1rf5A:
0.0		 5d4uA-1rf5A:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b1n SPE31

(Pachyrhizus
erosus) 		PF00112
(Peptidase_C1) 		4 LYS A  18
ASP A  56
GLU A  85
THR A  32
 None
 1.39A 5d4uA-2b1nA:
0.1		 5d4uA-2b1nA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o6x SECRETED CATHEPSIN L
1

(Fasciola
hepatica) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 LYS A 115
ASP A 153
GLU A 183
THR A 129
 None
 1.48A 5d4uA-2o6xA:
undetectable		 5d4uA-2o6xA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pqd 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Agrobacterium
sp.) 		PF00275
(EPSP_synthase) 		4 LYS A 177
ASP A  27
GLU A 204
THR A 199
 None
 0.98A 5d4uA-2pqdA:
0.3		 5d4uA-2pqdA:
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.
2vhs CATHSILICATEIN

(Homo sapiens) 		PF00112
(Peptidase_C1) 		4 LYS A  17
ASP A  55
GLU A  86
THR A  31
 None
 1.37A 5d4uA-2vhsA:
0.0		 5d4uA-2vhsA:
22.95
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.
3f75 CATHEPSIN L PROTEASE

(Toxoplasma
gondii) 		PF00112
(Peptidase_C1) 		4 LYS A  23
ASP A  61
GLU A  92
THR A  37
 None
 1.39A 5d4uA-3f75A:
0.0		 5d4uA-3f75A:
22.34
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.
3qj3 CATHEPSIN L-LIKE
PROTEIN

(Tenebrio
molitor) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 LYS A 121
ASP A 161
GLU A 190
THR A 135
 None
 1.38A 5d4uA-3qj3A:
0.0		 5d4uA-3qj3A:
23.46
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.
3qt4 CATHEPSIN-L-LIKE
MIDGUT CYSTEINE
PROTEINASE

(Tenebrio
molitor) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 LYS A 114
ASP A 152
GLU A 182
THR A 128
 None
 1.39A 5d4uA-3qt4A:
undetectable		 5d4uA-3qt4A:
20.70
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.
3rmt 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE 1

(Bacillus
halodurans) 		PF00275
(EPSP_synthase) 		4 LYS A 174
ASP A  24
GLU A 201
THR A 196
 None
 0.98A 5d4uA-3rmtA:
undetectable		 5d4uA-3rmtA:
19.83
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.
4en8 HEMAGGLUTININ
COMPONENTS
HA-22/23/53

(Clostridium
botulinum) 		PF03505
(Clenterotox) 		4 LYS B 336
ASP B 355
GLU B 338
THR B 362
 None
 1.21A 5d4uA-4en8B:
undetectable		 5d4uA-4en8B:
23.39
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.
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		4 LYS A 485
ASP A 333
GLU A 512
THR A 507
 None
 0.86A 5d4uA-5bs5A:
undetectable		 5d4uA-5bs5A:
21.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5d5t UNCHARACTERIZED
PROTEIN MJ0489

(Methanocaldococcus
jannaschii) 		PF06690
(DUF1188) 		4 LYS A  34
ASP A  77
GLU A 139
THR A 185
 None
 0.29A 5d4uA-5d5tA:
36.0		 5d4uA-5d5tA:
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.
5hdf HYDROLASE

(Streptomyces
flocculus) 		no annotation 4 LYS B 274
ASP B 259
GLU B 271
THR B 247
 None
 0.91A 5d4uA-5hdfB:
2.2		 5d4uA-5hdfB:
21.32
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.
5nf2 MINOR FIMBRIUM
SUBUNIT MFA1

(Porphyromonas
gingivalis) 		no annotation 4 LYS A 363
ASP A 520
GLU A 327
THR A 339
 None
 1.24A 5d4uA-5nf2A:
undetectable		 5d4uA-5nf2A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5o4m HCGC

(Methanococcus
maripaludis) 		PF06690
(DUF1188) 		4 LYS A  29
ASP A  72
GLU A 134
THR A 177
 SAH  A 301 (-2.8A)
SAH  A 301 (-3.0A)
SAH  A 301 (-3.3A)
SAH  A 301 (-3.8A)
 0.31A 5d4uA-5o4mA:
36.1		 5d4uA-5o4mA:
51.09
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.
5sym ACYL-PROTEIN
THIOESTERASE 1

(Homo sapiens) 		PF02230
(Abhydrolase_2) 		4 LYS A  97
ASP A  85
GLU A  94
THR A 131
 EDO  A 304 (-2.8A)
None
EDO  A 304 ( 4.4A)
None
 1.47A 5d4uA-5symA:
undetectable		 5d4uA-5symA:
21.28
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.
6czs -

(-) 		no annotation 4 LYS A 133
ASP A 171
GLU A 202
THR A 147
 None
 1.45A 5d4uA-6czsA:
undetectable		 5d4uA-6czsA:
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.
8pch CATHEPSIN H

(Sus scrofa) 		PF00112
(Peptidase_C1) 		4 LYS A  17
ASP A  55
GLU A  83
THR A  31
 None
 1.36A 5d4uA-8pchA:
undetectable		 5d4uA-8pchA:
22.06