SIMILAR PATTERNS OF AMINO ACIDS FOR 1L4N_A_NIOA991

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.
1aor ALDEHYDE FERREDOXIN
OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 GLY A 180
GLY A 164
SER A 162
GLU A 146
GLY A 341
 None
 1.11A 1l4nA-1aorA:
undetectable		 1l4nA-1aorA:
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.
1g6v ANTIBODY HEAVY CHAIN

(Camelus
dromedarius) 		PF07686
(V-set) 		5 GLY K 917
GLY K 835
GLU K 806
ARG K 916
GLY K 896
 None
 1.21A 1l4nA-1g6vK:
undetectable		 1l4nA-1g6vK:
15.16
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.
1gan GALECTIN-1

(Rhinella
arenarum) 		PF00337
(Gal-bind_lectin) 		5 GLY A  22
GLY A   4
PHE A 128
LEU A 123
GLY A 125
 None
 1.11A 1l4nA-1ganA:
undetectable		 1l4nA-1ganA:
16.76
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.
1gz7 LIPASE 2

(Diutina rugosa) 		PF00135
(COesterase) 		5 GLY A 107
GLY A 113
LEU A 114
ARG A 109
GLY A 197
 None
 1.25A 1l4nA-1gz7A:
1.4		 1l4nA-1gz7A:
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.
1h21 SPLIT-SORET
CYTOCHROME C

(Desulfovibrio
desulfuricans) 		PF09719
(C_GCAxxG_C_C) 		5 GLY A  54
GLY A  45
PHE A  46
LEU A  72
GLY A  91
 None
 1.11A 1l4nA-1h21A:
undetectable		 1l4nA-1h21A:
20.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j33 COBT

(Thermus
thermophilus) 		PF02277
(DBI_PRT) 		7 THR A 168
GLY A 190
GLY A 251
PHE A 252
SER A 278
GLU A 280
ARG A 279
 None
 0.94A 1l4nA-1j33A:
46.9		 1l4nA-1j33A:
36.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j33 COBT

(Thermus
thermophilus) 		PF02277
(DBI_PRT) 		7 THR A 168
GLY A 190
GLY A 251
PHE A 252
SER A 278
GLU A 280
GLY A 303
 None
 0.48A 1l4nA-1j33A:
46.9		 1l4nA-1j33A:
36.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k32 TRICORN PROTEASE

(Thermoplasma
acidophilum) 		PF03572
(Peptidase_S41)
PF07676
(PD40)
PF14684
(Tricorn_C1)
PF14685
(Tricorn_PDZ) 		5 GLY A 411
GLY A 416
PHE A 418
LEU A 433
GLY A 370
 None
 1.29A 1l4nA-1k32A:
1.7		 1l4nA-1k32A:
15.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		5 THR A 138
GLY A 134
GLY A 355
LEU A 145
GLY A 106
 None
None
CL  A 503 (-3.5A)
None
None
 1.14A 1l4nA-1kplA:
undetectable		 1l4nA-1kplA:
24.46
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.
1kyo HEAVY CHAIN (VH) OF
FV-FRAGMENT

(Mus musculus) 		PF07686
(V-set) 		5 GLY J 115
GLY J   8
LEU J  20
GLU J   6
GLY J  10
 None
 1.20A 1l4nA-1kyoJ:
undetectable		 1l4nA-1kyoJ:
14.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lba T7 LYSOZYME

(Escherichia
virus T7) 		PF01510
(Amidase_2) 		5 GLY A  71
GLY A  78
PHE A  15
SER A  76
GLY A  66
 None
 1.26A 1l4nA-1lbaA:
undetectable		 1l4nA-1lbaA:
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.
1lq2 BETA-D-GLUCAN
GLUCOHYDROLASE
ISOENZYME EXO1

(Hordeum vulgare) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 THR A  84
GLY A  87
GLY A  30
PHE A  49
GLY A  51
 None
 1.15A 1l4nA-1lq2A:
1.8		 1l4nA-1lq2A:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1miq PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		5 GLY A 216
GLY A 125
PHE A  33
LEU A 126
GLY A  36
 None
 1.31A 1l4nA-1miqA:
undetectable		 1l4nA-1miqA:
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.
1msk COBALAMIN-DEPENDENT
METHIONINE SYNTHASE

(Escherichia
coli) 		PF02965
(Met_synt_B12) 		5 THR A1161
GLY A 997
LEU A1067
SER A1176
GLY A1066
 None
 1.31A 1l4nA-1mskA:
undetectable		 1l4nA-1mskA:
22.94
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.
1svc PROTEIN (NUCLEAR
FACTOR KAPPA-B
(NF-KB))

(Homo sapiens) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		5 THR P 159
GLY P 183
LEU P 189
ARG P 164
GLY P 185
 None
 1.09A 1l4nA-1svcP:
undetectable		 1l4nA-1svcP:
20.88
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.
1ti8 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLY A 116
LEU A 260
SER A 265
GLU A 114
ARG A 113
 None
 1.08A 1l4nA-1ti8A:
undetectable		 1l4nA-1ti8A:
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.
1ukc ESTA

(Aspergillus
niger) 		PF00135
(COesterase) 		5 THR A 286
GLY A 284
GLY A  87
LEU A  88
GLY A 160
 None
 1.17A 1l4nA-1ukcA:
1.6		 1l4nA-1ukcA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v19 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermus
thermophilus) 		PF00294
(PfkB) 		5 THR A 135
GLY A  54
LEU A 113
GLU A  36
GLY A 110
 None
 1.26A 1l4nA-1v19A:
undetectable		 1l4nA-1v19A:
24.05
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.
1yqd SINAPYL ALCOHOL
DEHYDROGENASE

(Populus
tremuloides) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 294
GLY A 266
PHE A 265
LEU A 268
GLY A 246
 None
 1.27A 1l4nA-1yqdA:
2.5		 1l4nA-1yqdA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yqd SINAPYL ALCOHOL
DEHYDROGENASE

(Populus
tremuloides) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 THR A 170
GLY A 302
LEU A 195
SER A  52
GLY A 278
 NAP  A 500 (-3.1A)
NAP  A 500 (-3.2A)
NAP  A 500 (-3.4A)
DTT  A 700 (-2.4A)
NAP  A 500 (-3.4A)
 1.23A 1l4nA-1yqdA:
2.5		 1l4nA-1yqdA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE

(Ruminiclostridium
thermocellum) 		PF02012
(BNR) 		5 GLY A 153
GLY A 161
GLU A 102
ARG A 158
GLY A  54
 None
None
None
XYS  A1773 ( 3.3A)
CA  A1778 ( 4.8A)
 1.34A 1l4nA-2cn3A:
undetectable		 1l4nA-2cn3A:
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.
2e0i 432AA LONG
HYPOTHETICAL
DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE

(Sulfurisphaera
tokodaii) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 GLY A 223
GLY A 187
PHE A 222
SER A  57
GLY A 192
 None
 1.26A 1l4nA-2e0iA:
undetectable		 1l4nA-2e0iA:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f5x BUGD

(Bordetella
pertussis) 		PF03401
(TctC) 		5 THR A  52
GLY A  48
GLY A 228
PHE A  72
LEU A  66
 None
 1.21A 1l4nA-2f5xA:
undetectable		 1l4nA-2f5xA:
22.94
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.
2p68 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Aquifex
aeolicus) 		PF13561
(adh_short_C2) 		5 THR A 120
GLY A 119
GLY A 163
PHE A 167
LEU A 164
 None
 1.32A 1l4nA-2p68A:
2.4		 1l4nA-2p68A:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pyh POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 4

(Azotobacter
vinelandii) 		PF12708
(Pectate_lyase_3) 		5 GLY A 242
GLY A 221
PHE A 198
LEU A 222
GLY A 251
 None
 1.24A 1l4nA-2pyhA:
undetectable		 1l4nA-2pyhA:
24.11
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.
2r9h H(+)/CL(-) EXCHANGE
TRANSPORTER CLCA

(Escherichia
coli) 		PF00654
(Voltage_CLC) 		5 THR A 138
GLY A 135
GLY A 355
LEU A 145
GLY A 106
 None
None
CL  A   2 ( 3.0A)
None
CL  A   1 ( 3.8A)
 1.28A 1l4nA-2r9hA:
undetectable		 1l4nA-2r9hA:
25.73
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.
2wc7 ALPHA AMYLASE,
CATALYTIC REGION

(Nostoc
punctiforme) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 THR A 387
GLY A 481
SER A 480
GLU A 339
GLY A 457
 None
 1.34A 1l4nA-2wc7A:
undetectable		 1l4nA-2wc7A:
21.53
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.
2wf7 BETA-PHOSPHOGLUCOMUT
ASE

(Lactococcus
lactis) 		PF13419
(HAD_2) 		5 THR A  16
GLY A  11
GLY A 119
LEU A 122
SER A 114
 None
MG  A1220 ( 4.5A)
None
None
ALF  A1219 (-2.8A)
 1.22A 1l4nA-2wf7A:
undetectable		 1l4nA-2wf7A:
20.65
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.
2y8n 4-HYDROXYPHENYLACETA
TE DECARBOXYLASE
LARGE SUBUNIT

(Clostridium
scatologenes) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 THR A 774
GLY A 756
GLY A 778
SER A 751
GLY A 640
 None
 1.33A 1l4nA-2y8nA:
undetectable		 1l4nA-2y8nA:
18.15
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.
2zc7 BETA-LACTAMASE ACT-1

(Klebsiella
pneumoniae) 		PF00144
(Beta-lactamase) 		5 GLY A  81
GLY A 251
LEU A 254
SER A 247
GLY A  74
 None
 1.32A 1l4nA-2zc7A:
undetectable		 1l4nA-2zc7A:
21.19
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.
3c87 ENTEROCHELIN
ESTERASE

(Shigella
flexneri) 		PF00756
(Esterase)
PF11806
(DUF3327) 		5 GLY A 383
GLY A 342
SER A 305
GLU A 340
GLY A 373
 None
 1.33A 1l4nA-3c87A:
undetectable		 1l4nA-3c87A:
22.58
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.
3cgw LPPG:FO
2-PHOSPHO-L-LACTATE
TRANSFERASE

(Methanosarcina
mazei) 		PF01933
(UPF0052) 		5 THR A  10
GLY A   9
GLY A  16
LEU A  14
SER A 292
 None
 1.31A 1l4nA-3cgwA:
2.9		 1l4nA-3cgwA:
21.93
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.
3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC

(Caulobacter
vibrioides) 		PF01964
(ThiC_Rad_SAM)
PF13667
(ThiC-associated) 		5 THR A 400
GLY A 397
GLY A 373
LEU A 372
GLY A 315
 None
 1.34A 1l4nA-3epmA:
3.3		 1l4nA-3epmA:
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.
3grz RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Lactobacillus
delbrueckii) 		PF06325
(PrmA) 		5 THR A 163
GLY A 158
GLY A 188
LEU A 190
SER A 187
 None
 1.31A 1l4nA-3grzA:
undetectable		 1l4nA-3grzA:
20.94
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.
3hrd NICOTINATE
DEHYDROGENASE
FAD-SUBUNIT
NICOTINATE
DEHYDROGENASE SMALL
FES SUBUNIT

(Eubacterium
barkeri) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01799
(Fer2_2)
PF03450
(CO_deh_flav_C) 		5 THR D  60
GLY D  45
GLY C 109
LEU C 108
GLY C  33
 FES  D 908 (-4.2A)
FES  D 908 ( 3.2A)
FAD  C 900 ( 3.8A)
None
FAD  C 900 (-3.3A)
 0.92A 1l4nA-3hrdD:
undetectable		 1l4nA-3hrdD:
21.13
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.
3isa PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE

(Bordetella
parapertussis) 		PF00378
(ECH_1) 		5 GLY A 144
GLY A 140
LEU A 137
SER A 228
GLY A 136
 None
None
None
None
CL  A 256 (-3.4A)
 1.18A 1l4nA-3isaA:
undetectable		 1l4nA-3isaA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3it8 2L PROTEIN

(Tanapox virus) 		no annotation 5 GLY D 108
GLY D 105
GLU D 159
ARG D 119
GLY D 246
 None
 1.08A 1l4nA-3it8D:
undetectable		 1l4nA-3it8D:
16.40
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.
3kfu GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermus
thermophilus) 		PF01425
(Amidase) 		5 GLY E 335
GLY E 115
PHE E 114
GLU E 113
GLY E 117
 None
 1.03A 1l4nA-3kfuE:
undetectable		 1l4nA-3kfuE:
25.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q3q ALKALINE PHOSPHATASE

(Sphingomonas
sp. BSAR-1) 		PF01663
(Phosphodiest) 		5 GLY A 246
GLY A 303
PHE A 306
SER A 313
GLU A 312
 None
 1.07A 1l4nA-3q3qA:
1.9		 1l4nA-3q3qA:
22.79
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.
3r7t ADENYLOSUCCINATE
SYNTHETASE

(Campylobacter
jejuni) 		PF00709
(Adenylsucc_synt) 		5 THR A 244
GLY A 218
GLY A  72
ARG A  33
GLY A  36
 None
 1.22A 1l4nA-3r7tA:
undetectable		 1l4nA-3r7tA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sh5 LG3 PEPTIDE

(Homo sapiens) 		PF00054
(Laminin_G_1) 		5 THR A  40
GLY A 158
GLY A  67
LEU A  68
GLY A  45
 None
 1.22A 1l4nA-3sh5A:
undetectable		 1l4nA-3sh5A:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sh5 LG3 PEPTIDE

(Homo sapiens) 		PF00054
(Laminin_G_1) 		5 THR A 148
GLY A 150
GLY A  67
LEU A  46
GLY A  45
 None
 1.28A 1l4nA-3sh5A:
undetectable		 1l4nA-3sh5A:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tav METHIONINE
AMINOPEPTIDASE

(Mycobacteroides
abscessus) 		PF00557
(Peptidase_M24) 		5 GLY A 163
GLY A 176
PHE A 175
LEU A 220
ARG A 165
 None
 1.01A 1l4nA-3tavA:
undetectable		 1l4nA-3tavA:
25.67
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.
3tt2 GCN5-RELATED
N-ACETYLTRANSFERASE

(Sphaerobacter
thermophilus) 		PF00583
(Acetyltransf_1) 		5 THR A 234
GLY A 250
GLY A 237
LEU A 236
GLY A 247
 None
 1.27A 1l4nA-3tt2A:
undetectable		 1l4nA-3tt2A:
23.80
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.
3uk8 CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 THR A 512
GLY A 570
GLY A 561
LEU A 508
ARG A 566
 None
 1.21A 1l4nA-3uk8A:
undetectable		 1l4nA-3uk8A:
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.
3ulk KETOL-ACID
REDUCTOISOMERASE

(Escherichia
coli) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 GLY A 350
GLY A 358
LEU A 253
GLU A 353
GLY A 257
 GLY  A 350 ( 0.0A)
GLY  A 358 ( 0.0A)
LEU  A 253 ( 0.6A)
GLU  A 353 ( 0.5A)
GLY  A 257 ( 0.0A)
 1.33A 1l4nA-3ulkA:
undetectable		 1l4nA-3ulkA:
23.52
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.
3vtf UDP-GLUCOSE
6-DEHYDROGENASE

(Pyrobaculum
islandicum) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 GLY A 129
GLY A 175
SER A 152
GLU A 205
GLY A 177
 None
 1.17A 1l4nA-3vtfA:
undetectable		 1l4nA-3vtfA:
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.
4axs CARBAMATE KINASE

(Mycoplasma
penetrans) 		PF00696
(AA_kinase) 		5 THR A 110
GLY A 189
GLY A  82
LEU A 109
GLY A  78
 None
 1.28A 1l4nA-4axsA:
2.1		 1l4nA-4axsA:
24.04
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.
4bej DYNAMIN 1-LIKE
PROTEIN

(Homo sapiens) 		PF00350
(Dynamin_N)
PF01031
(Dynamin_M)
PF02212
(GED) 		5 THR A 288
GLY A 281
LEU A 285
ARG A 279
GLY A 243
 None
 1.30A 1l4nA-4bejA:
undetectable		 1l4nA-4bejA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bv6 APOPTOSIS-INDUCING
FACTOR 1,
MITOCHONDRIAL

(Homo sapiens) 		PF07992
(Pyr_redox_2)
PF14721
(AIF_C) 		5 GLY A 341
GLY A 312
PHE A 310
SER A 313
GLY A 307
 None
None
GOL  A1611 (-4.8A)
None
None
 1.09A 1l4nA-4bv6A:
undetectable		 1l4nA-4bv6A:
21.57
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.
4cak INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF17205
(PSI_integrin) 		5 GLY B 595
GLY B 577
SER B 576
GLU B 599
GLY B 579
 None
 1.22A 1l4nA-4cakB:
undetectable		 1l4nA-4cakB:
18.01
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.
4k3e BOVINE ANTIBODY WITH
ULTRALONG CDR H3,
HEAVY CHAIN

(Bos taurus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H 106
LEU H  20
GLU H   6
ARG H   5
GLY H   8
 None
 1.20A 1l4nA-4k3eH:
undetectable		 1l4nA-4k3eH:
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.
4k5r OXYGENASE

(Streptomyces
argillaceus) 		PF01494
(FAD_binding_3) 		5 GLY A 301
GLY A  92
PHE A  85
LEU A  93
GLY A  82
 None
 1.05A 1l4nA-4k5rA:
undetectable		 1l4nA-4k5rA:
23.20
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.
4knc ALGINATE
BIOSYNTHESIS PROTEIN
ALGX

(Pseudomonas
aeruginosa) 		no annotation 5 THR B 243
GLY B 279
PHE B 207
SER B 285
GLU B 282
 None
 1.31A 1l4nA-4kncB:
undetectable		 1l4nA-4kncB:
22.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4kqk NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Salmonella
enterica) 		PF02277
(DBI_PRT) 		8 THR A 180
GLY A 202
GLY A 264
PHE A 265
LEU A 266
SER A 291
ARG A 314
GLY A 316
 SO4  A 402 (-2.9A)
SO4  A 402 (-3.6A)
None
None
None
None
None
None
 0.57A 1l4nA-4kqkA:
63.0		 1l4nA-4kqkA:
98.88
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.
4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01425
(Amidase) 		5 GLY A 328
GLY A 101
PHE A 100
GLU A  99
GLY A 103
 None
None
None
None
GLN  A 501 (-3.8A)
 1.13A 1l4nA-4n0iA:
undetectable		 1l4nA-4n0iA:
21.34
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.
4ope NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 THR A4530
GLY A4535
GLY A4448
PHE A4447
GLY A4451
 None
 1.12A 1l4nA-4opeA:
undetectable		 1l4nA-4opeA:
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.
4opu CONSERVED ARCHAEAL
PROTEIN

(Sulfolobus
acidocaldarius) 		PF01266
(DAO) 		5 GLY A  43
GLY A  17
PHE A  15
SER A  18
GLY A  12
 FDA  A 501 ( 4.9A)
None
None
None
FDA  A 501 (-3.1A)
 1.30A 1l4nA-4opuA:
undetectable		 1l4nA-4opuA:
23.40
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.
4p8e 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE

(Vibrio cholerae) 		PF00926
(DHBP_synthase) 		5 GLY A 171
GLY A  27
LEU A  24
SER A  50
GLY A  29
 None
 0.88A 1l4nA-4p8eA:
undetectable		 1l4nA-4p8eA:
23.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qiq D-XYLOSE-PROTON
SYMPORTER

(Escherichia
coli) 		PF00083
(Sugar_tr) 		5 GLY A 449
GLY A 442
PHE A 443
SER A 444
GLY A 360
 None
 1.29A 1l4nA-4qiqA:
undetectable		 1l4nA-4qiqA:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rfs SUBSTRATE BINDING
PRITEIN S

(Lactobacillus
brevis) 		PF12822
(ECF_trnsprt) 		5 GLY S  65
PHE S  69
LEU S  66
SER S  91
GLY S  62
 None
 1.29A 1l4nA-4rfsS:
undetectable		 1l4nA-4rfsS:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u4e THIOLASE

(Sphaerobacter
thermophilus) 		PF02803
(Thiolase_C) 		5 THR A 328
GLY A  20
GLY A 212
SER A  16
GLY A 107
 None
 1.07A 1l4nA-4u4eA:
undetectable		 1l4nA-4u4eA:
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.
4w8y CRISPR SYSTEM CMR
SUBUNIT CMR2

(Pyrococcus
furiosus) 		PF12469
(DUF3692) 		5 GLY A 764
GLY A 856
PHE A 860
LEU A 857
SER A 761
 None
 1.25A 1l4nA-4w8yA:
undetectable		 1l4nA-4w8yA:
17.99
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.
4w8y CRISPR SYSTEM CMR
SUBUNIT CMR2

(Pyrococcus
furiosus) 		PF12469
(DUF3692) 		5 GLY A 856
PHE A 860
LEU A 857
SER A 761
ARG A 846
 None
 1.25A 1l4nA-4w8yA:
undetectable		 1l4nA-4w8yA:
17.99
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.
4ydq PROLINE--TRNA LIGASE

(Plasmodium
falciparum) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 THR A 359
GLY A 410
SER A 508
GLU A 361
GLY A 510
 HFG  A 802 (-3.2A)
None
HFG  A 802 ( 3.8A)
HFG  A 802 (-2.9A)
HFG  A 802 (-3.7A)
 1.06A 1l4nA-4ydqA:
undetectable		 1l4nA-4ydqA:
19.73
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.
4yn5 MANNAN
ENDO-1,4-BETA-MANNOS
IDASE

(Bacillus sp.
JAMB750) 		PF02156
(Glyco_hydro_26) 		5 THR A  78
GLY A 381
LEU A 383
ARG A 377
GLY A 385
 None
 1.33A 1l4nA-4yn5A:
undetectable		 1l4nA-4yn5A:
22.60
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.
4yu5 IMMUNE INHIBITOR A,
METALLOPROTEASE

(Bacillus cereus) 		PF05547
(Peptidase_M6) 		5 THR A 718
GLY A 399
SER A 409
GLU A 403
GLY A 696
 None
 1.31A 1l4nA-4yu5A:
undetectable		 1l4nA-4yu5A:
18.13
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.
4zdn AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 THR A 864
GLY A 869
GLY A 782
PHE A 781
GLY A 785
 None
 1.19A 1l4nA-4zdnA:
undetectable		 1l4nA-4zdnA:
20.78
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.
4znj PHAGE TERMINASE
LARGE SUBUNIT

(Thermus virus
P74-26) 		PF03237
(Terminase_6) 		5 GLY A 201
GLY A 182
PHE A 252
LEU A 183
ARG A 245
 None
 1.24A 1l4nA-4znjA:
undetectable		 1l4nA-4znjA:
23.53
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.
5c92 KELCH
DOMAIN-CONTAINING
PROTEIN

(Colletotrichum
graminicola) 		PF01344
(Kelch_1)
PF09118
(DUF1929) 		5 GLY A 296
GLY A 242
SER A 250
ARG A 278
GLY A 224
 None
 1.18A 1l4nA-5c92A:
undetectable		 1l4nA-5c92A:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cyf PUTATIVE URIDINE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 THR A 193
GLY A 235
GLY A 190
SER A 138
GLU A 232
 None
 1.01A 1l4nA-5cyfA:
undetectable		 1l4nA-5cyfA:
22.31
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.
5e25 BRANCHED-CHAIN
AMINOTRANSFERASE

(Geoglobus
acetivorans) 		PF01063
(Aminotran_4) 		5 GLY A  99
PHE A  23
LEU A  28
SER A  21
GLY A  26
 None
 1.22A 1l4nA-5e25A:
undetectable		 1l4nA-5e25A:
20.21
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.
5f5r HEAT SHOCK PROTEIN
75 KDA,
MITOCHONDRIAL

(Homo sapiens) 		PF13589
(HATPase_c_3) 		5 THR A  94
GLY A 173
GLY A 235
LEU A  98
SER A 233
 None
 1.01A 1l4nA-5f5rA:
undetectable		 1l4nA-5f5rA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f5w GLYCINE--TRNA LIGASE
ALPHA SUBUNIT

(Aquifex
aeolicus) 		PF02091
(tRNA-synt_2e) 		5 GLY A 186
PHE A 189
LEU A  71
SER A 192
GLY A  65
 None
None
G5A  A 300 (-4.6A)
None
None
 1.26A 1l4nA-5f5wA:
undetectable		 1l4nA-5f5wA:
21.75
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.
5g0a TRANSAMINASE

(Bacillus
megaterium) 		PF00202
(Aminotran_3) 		5 THR A 273
GLY A 283
GLY A 385
LEU A 387
GLY A 383
 None
 1.14A 1l4nA-5g0aA:
undetectable		 1l4nA-5g0aA:
21.81
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.
5gwn PROTEIN RCC2

(Homo sapiens) 		PF00415
(RCC1) 		5 GLY A 383
GLY A 403
SER A 400
GLU A 401
ARG A 384
 None
 1.29A 1l4nA-5gwnA:
undetectable		 1l4nA-5gwnA:
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.
5hxw L-AMINO ACID
DEAMINASE

(Proteus
vulgaris) 		PF01266
(DAO) 		5 GLY A 437
GLY A  63
LEU A  65
SER A  93
GLY A 257
 16A  A 504 ( 3.8A)
FAD  A 501 (-3.3A)
FAD  A 501 (-3.7A)
FAD  A 501 (-2.5A)
FAD  A 501 (-3.4A)
 1.07A 1l4nA-5hxwA:
undetectable		 1l4nA-5hxwA:
23.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i33 ADENYLOSUCCINATE
SYNTHETASE

(Cryptococcus
neoformans) 		PF00709
(Adenylsucc_synt) 		5 GLY A 227
GLY A  68
LEU A 224
SER A  67
ARG A  37
 None
 1.22A 1l4nA-5i33A:
undetectable		 1l4nA-5i33A:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i39 L-AMINO ACID
DEAMINASE

(Proteus
vulgaris) 		PF01266
(DAO) 		5 GLY A 437
GLY A  63
LEU A  65
SER A  93
GLY A 257
 EDO  A 507 ( 3.7A)
FAD  A 501 (-3.3A)
FAD  A 501 (-3.8A)
FAD  A 501 (-2.5A)
FAD  A 501 (-3.4A)
 1.05A 1l4nA-5i39A:
undetectable		 1l4nA-5i39A:
22.80
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.
5i6g ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 GLY A2064
LEU A2066
GLU A2067
ARG A1995
GLY A2038
 None
 1.16A 1l4nA-5i6gA:
undetectable		 1l4nA-5i6gA:
16.36
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.
5i6i ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 GLY A2064
LEU A2066
GLU A2067
ARG A1995
GLY A2038
 None
 1.20A 1l4nA-5i6iA:
2.7		 1l4nA-5i6iA:
10.31
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.
5jnq PHOSPHO-N-ACETYLMURA
MOYL-PENTAPEPTIDE-TR
ANSFERASE

([Clostridium]
bolteae) 		PF00953
(Glycos_transf_4)
PF10555
(MraY_sig1) 		5 GLY A 216
PHE A 217
LEU A 214
SER A  16
GLY A 212
 None
 1.08A 1l4nA-5jnqA:
undetectable		 1l4nA-5jnqA:
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.
5kdx METALLOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF13402
(Peptidase_M60) 		5 GLY A 268
GLY A 134
LEU A 240
GLU A 131
GLY A 136
 None
 1.12A 1l4nA-5kdxA:
undetectable		 1l4nA-5kdxA:
17.40
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.
5ktl 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Trichormus
variabilis) 		PF00701
(DHDPS) 		5 GLY A 162
GLY A   5
PHE A   4
LEU A   8
GLY A 204
 None
 0.96A 1l4nA-5ktlA:
undetectable		 1l4nA-5ktlA:
23.80
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.
5mp4 PROTOPLAST SECRETED
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF03358
(FMN_red) 		5 THR A 123
GLY A 119
GLY A 163
SER A 160
GLY A 165
 None
 0.96A 1l4nA-5mp4A:
undetectable		 1l4nA-5mp4A:
18.99
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.
5mqz PUTATIVE
BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Archaeoglobus
fulgidus) 		no annotation 5 GLY A  97
PHE A  21
LEU A  26
SER A  19
GLY A  24
 None
 1.21A 1l4nA-5mqzA:
undetectable		 1l4nA-5mqzA:
12.38
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.
5tg8 HEMAGGLUTININ HA1
CHAIN

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLY A 116
LEU A 260
SER A 265
GLU A 114
ARG A 113
 None
 1.03A 1l4nA-5tg8A:
undetectable		 1l4nA-5tg8A:
19.73
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.
5uqi PHOSPHOSUGAR
ISOMERASE

(Escherichia
coli) 		no annotation 5 THR A 109
GLY A  77
GLY A  86
LEU A  85
GLY A  83
 None
 1.21A 1l4nA-5uqiA:
undetectable		 1l4nA-5uqiA:
11.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vk4 PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Neisseria
gonorrhoeae) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 GLY A  82
GLY A  66
LEU A  69
SER A 189
GLY A  64
 None
 1.06A 1l4nA-5vk4A:
undetectable		 1l4nA-5vk4A:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vn2 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Brucella
melitensis) 		PF13561
(adh_short_C2) 		5 THR A 117
GLY A 116
GLY A 164
PHE A 168
LEU A 165
 None
 1.23A 1l4nA-5vn2A:
3.1		 1l4nA-5vn2A:
25.90
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.
5xhq APOLIPOPROTEIN
N-ACYLTRANSFERASE

(Escherichia
coli) 		PF00795
(CN_hydrolase) 		5 GLY A  60
PHE A 108
LEU A  44
ARG A 139
GLY A  64
 None
 1.32A 1l4nA-5xhqA:
undetectable		 1l4nA-5xhqA:
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.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 5 THR A 439
GLY A 490
SER A 588
GLU A 441
GLY A 590
 86X  A1004 (-3.6A)
None
86X  A1004 (-3.6A)
86X  A1004 (-3.0A)
86X  A1004 ( 4.2A)
 1.02A 1l4nA-5xiiA:
undetectable		 1l4nA-5xiiA:
11.36
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.
5xio PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE)

(Cryptosporidium
parvum) 		no annotation 5 THR A 331
GLY A 382
SER A 480
GLU A 333
GLY A 482
 HFG  A 801 (-3.4A)
None
HFG  A 801 ( 3.8A)
HFG  A 801 (-3.0A)
HFG  A 801 (-3.9A)
 1.00A 1l4nA-5xioA:
undetectable		 1l4nA-5xioA:
10.83
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.
5xip PROLYL-TRNA
SYNTHETASE, PUTATIVE

(Eimeria tenella) 		no annotation 5 THR A 359
GLY A 410
SER A 508
GLU A 361
GLY A 510
 HFG  A1003 (-3.9A)
None
HFG  A1003 ( 3.9A)
HFG  A1003 (-2.9A)
HFG  A1003 ( 3.9A)
 1.05A 1l4nA-5xipA:
undetectable		 1l4nA-5xipA:
11.11
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.
5xsy SODIUM CHANNEL
PROTEIN

(Electrophorus
electricus) 		PF00520
(Ion_trans)
PF06512
(Na_trans_assoc) 		5 THR A 140
GLY A 706
PHE A 707
LEU A 704
SER A 738
 None
 1.18A 1l4nA-5xsyA:
undetectable		 1l4nA-5xsyA:
10.86
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.
5ydg MULTIPLE ORGANELLAR
RNA EDITING FACTOR
2, CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 5 GLY A 172
GLY A 136
LEU A  88
SER A 130
GLY A 138
 None
 1.29A 1l4nA-5ydgA:
undetectable		 1l4nA-5ydgA:
11.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6b5f NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia
enterocolitica) 		no annotation 9 THR A 179
GLY A 201
GLY A 263
PHE A 264
LEU A 265
SER A 290
GLU A 292
ARG A 313
GLY A 315
 SO4  A 401 (-2.8A)
SO4  A 401 ( 3.7A)
None
None
None
None
None
None
None
 0.56A 1l4nA-6b5fA:
59.6		 1l4nA-6b5fA:
67.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6b5f NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia
enterocolitica) 		no annotation 5 THR A 179
GLY A 201
GLY A 315
LEU A 265
GLU A 292
 SO4  A 401 (-2.8A)
SO4  A 401 ( 3.7A)
None
None
None
 1.32A 1l4nA-6b5fA:
59.6		 1l4nA-6b5fA:
67.80
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC1
DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC2

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A 706
PHE A 704
LEU A 705
ARG A 703
GLY B 764
 None
 1.28A 1l4nA-6f42A:
undetectable		 1l4nA-6f42A:
12.78
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5

(Mus musculus) 		no annotation 5 THR L 221
GLY L 228
GLY L 311
SER L 307
GLY L 281
 None
3PE  L 701 (-3.9A)
None
None
None
 1.29A 1l4nA-6g2jL:
undetectable		 1l4nA-6g2jL:
10.14