SIMILAR PATTERNS OF AMINO ACIDS FOR 1L5R_A_RBFA859

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.
1ad6 RETINOBLASTOMA TUMOR
SUPPRESSOR

(Homo sapiens) 		PF01858
(RB_A) 		5 LEU A 461
ALA A 490
GLY A 449
TYR A 453
PHE A 404
 None
 1.41A 1l5rA-1ad6A:
undetectable		 1l5rA-1ad6A:
13.10
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.
1aor ALDEHYDE FERREDOXIN
OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 ASN A 260
PHE A 261
TYR A 266
ALA A 352
GLY A 349
 None
 1.22A 1l5rA-1aorA:
undetectable		 1l5rA-1aorA:
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.
1eqw CU,ZN SUPEROXIDE
DISMUTASE

(Salmonella
enterica) 		PF00080
(Sod_Cu) 		5 ASN A  48
LEU A 110
ALA A  58
GLY A  60
PHE A  29
 None
 1.43A 1l5rA-1eqwA:
undetectable		 1l5rA-1eqwA:
11.32
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.
1fwx NITROUS OXIDE
REDUCTASE

(Paracoccus
denitrificans) 		PF13473
(Cupredoxin_1) 		5 GLU A 316
ALA A 355
GLY A 358
TYR A 356
ARG A 310
 None
 1.43A 1l5rA-1fwxA:
undetectable		 1l5rA-1fwxA:
20.63
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.
1gux RETINOBLASTOMA
PROTEIN

(Homo sapiens) 		PF01858
(RB_A) 		5 LEU A 461
ALA A 490
GLY A 449
TYR A 453
PHE A 404
 None
 1.43A 1l5rA-1guxA:
undetectable		 1l5rA-1guxA:
15.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iay 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
SYNTHASE 2

(Solanum
lycopersicum) 		PF00155
(Aminotran_1_2) 		5 ASN A 131
ALA A 130
GLY A 126
ARG A 110
PHE A 116
 PLP  A 500 ( 4.8A)
None
PLP  A 500 (-3.4A)
None
None
 1.16A 1l5rA-1iayA:
2.0		 1l5rA-1iayA:
18.79
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.
1me5 ALKYLHYDROPEROXIDASE
D

(Mycobacterium
tuberculosis) 		PF02627
(CMD) 		5 PHE A 117
LEU A 141
GLU A 118
ALA A  71
GLY A  73
 None
 1.36A 1l5rA-1me5A:
undetectable		 1l5rA-1me5A:
11.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o8u 6-OXO CAMPHOR
HYDROLASE

(Rhodococcus
erythropolis) 		PF00378
(ECH_1) 		5 ASN A 103
LEU A  66
ALA A  49
GLY A  97
PHE A  73
 None
 1.37A 1l5rA-1o8uA:
undetectable		 1l5rA-1o8uA:
14.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qp8 FORMATE
DEHYDROGENASE

(Pyrobaculum
aerophilum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ASN A 293
LEU A  36
ALA A  79
GLY A  80
PHE A   7
 None
None
NDP  A 310 (-3.0A)
NDP  A 310 ( 4.8A)
None
 1.45A 1l5rA-1qp8A:
2.4		 1l5rA-1qp8A:
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.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		5 LEU A 545
GLU A 544
ALA A  40
TYR A  37
ARG A 542
 None
 1.20A 1l5rA-1qu2A:
1.3		 1l5rA-1qu2A:
22.14
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.
1s4f RNA-DEPENDENT RNA
POLYMERASE

(Pestivirus A) 		PF00998
(RdRP_3) 		5 TYR A 581
ALA A 515
GLY A 516
TYR A 553
ARG A 529
 None
 1.38A 1l5rA-1s4fA:
undetectable		 1l5rA-1s4fA:
22.46
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.
1tvp CELLULASE

(Pseudoalteromonas
haloplanktis) 		PF00150
(Cellulase) 		5 ASN A 227
GLU A 238
HIS A 200
TYR A 204
ARG A 205
 None
None
EPE  A 700 (-4.0A)
None
None
 1.26A 1l5rA-1tvpA:
undetectable		 1l5rA-1tvpA:
16.06
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.
1vbl PECTATE LYASE 47

(Bacillus sp.
TS-47) 		PF00544
(Pec_lyase_C) 		5 LEU A 286
TYR A 301
ALA A 410
GLY A 411
PHE A 303
 None
 1.43A 1l5rA-1vblA:
undetectable		 1l5rA-1vblA:
17.31
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.
1vcv PROBABLE
DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Pyrobaculum
aerophilum) 		PF01791
(DeoC) 		5 GLU A  82
ALA A 111
GLY A 112
ARG A 216
PHE A 144
 None
 1.44A 1l5rA-1vcvA:
undetectable		 1l5rA-1vcvA:
13.82
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.
1vj0 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 114
HIS A 173
TYR A 113
ALA A 285
GLY A 286
 None
 1.37A 1l5rA-1vj0A:
3.1		 1l5rA-1vj0A:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ylf RRF2 FAMILY PROTEIN

(Bacillus cereus) 		PF02082
(Rrf2) 		5 LEU A 128
TYR A  81
ALA A  54
GLY A  55
PHE A  10
 None
 1.50A 1l5rA-1ylfA:
undetectable		 1l5rA-1ylfA:
10.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		5 ASN A 155
LEU A 254
ALA A 151
GLY A 153
PHE A 184
 None
 1.21A 1l5rA-2c49A:
2.9		 1l5rA-2c49A:
16.31
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.
2egg SHIKIMATE
5-DEHYDROGENASE

(Geobacillus
kaustophilus) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 LEU A 181
GLU A 184
TYR A 157
ARG A 154
PHE A 158
 None
 1.42A 1l5rA-2eggA:
2.6		 1l5rA-2eggA:
16.49
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.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		5 LEU A  98
HIS A 471
ALA A 229
GLY A 224
PHE A 458
 None
TFC  A 600 (-4.2A)
None
None
None
 1.20A 1l5rA-2fj0A:
5.4		 1l5rA-2fj0A:
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.
2gez L-ASPARAGINASE ALPHA
SUBUNIT
L-ASPARAGINASE BETA
SUBUNIT

(Lupinus luteus) 		PF01112
(Asparaginase_2) 		5 PHE B 307
LEU A  59
HIS A   9
ALA A  12
GLY B 305
 None
 1.32A 1l5rA-2gezB:
undetectable		 1l5rA-2gezB:
11.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gj4 GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM

(Oryctolagus
cuniculus) 		PF00343
(Phosphorylase) 		11 ASN A 282
PHE A 285
LEU A 380
GLU A 382
HIS A 571
TYR A 573
ALA A 610
GLY A 612
TYR A 613
ARG A 770
PHE A 771
 None
 0.83A 1l5rA-2gj4A:
54.6		 1l5rA-2gj4A:
80.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gj4 GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM

(Oryctolagus
cuniculus) 		PF00343
(Phosphorylase) 		6 HIS A 571
TYR A 573
ALA A 609
TYR A 613
ARG A 770
PHE A 771
 None
 1.49A 1l5rA-2gj4A:
54.6		 1l5rA-2gj4A:
80.87
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.
2i6h HYPOTHETICAL PROTEIN
ATU0120

(Agrobacterium
fabrum) 		PF06041
(DUF924) 		5 TYR A 114
ALA A  58
GLY A  57
ARG A 128
PHE A 117
 None
 1.34A 1l5rA-2i6hA:
undetectable		 1l5rA-2i6hA:
12.51
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.
2i9k MODIFICATION
METHYLASE HHAI

(Haemophilus
haemolyticus) 		PF00145
(DNA_methylase) 		5 LEU A 197
GLU A 278
ALA A 298
TYR A 299
ARG A 272
 None
 1.40A 1l5rA-2i9kA:
4.4		 1l5rA-2i9kA:
18.16
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.
2kc7 BFR218_PROTEIN

(Bacteroides
fragilis) 		PF00515
(TPR_1) 		5 LEU A  27
GLU A  24
TYR A  38
ALA A  44
TYR A  45
 None
 1.49A 1l5rA-2kc7A:
undetectable		 1l5rA-2kc7A:
6.92
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.
2nux 2-KETO-3-DEOXYGLUCON
ATE/2-KETO-3-DEOXY-6
-PHOSPHO GLUCONATE
ALDOLASE

(Sulfolobus
acidocaldarius) 		PF00701
(DHDPS) 		5 ASN A  59
LEU A  49
GLU A  53
ARG A 258
PHE A  11
 None
 1.19A 1l5rA-2nuxA:
undetectable		 1l5rA-2nuxA:
16.69
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.
2nzx ALPHA1,3-FUCOSYLTRAN
SFERASE

(Helicobacter
pylori) 		PF00852
(Glyco_transf_10) 		5 ASN A  73
PHE A  91
GLY A  94
TYR A  92
PHE A 335
 None
 1.37A 1l5rA-2nzxA:
8.5		 1l5rA-2nzxA:
18.92
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.
2o5p FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug) 		5 ASN A 630
LEU A 160
GLY A 622
ARG A 536
PHE A 546
 None
 1.43A 1l5rA-2o5pA:
undetectable		 1l5rA-2o5pA:
21.80
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.
2og7 ASPARAGINE OXYGENASE

(Streptomyces
coelicolor) 		PF02668
(TauD) 		5 ASN A  95
GLU A 125
ALA A 147
GLY A 148
PHE A 307
 None
AHB  A7002 (-3.2A)
None
None
None
 1.49A 1l5rA-2og7A:
undetectable		 1l5rA-2og7A:
17.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pbp ENOYL-COA HYDRATASE
SUBUNIT I

(Geobacillus
kaustophilus) 		PF00378
(ECH_1) 		5 PHE A  62
LEU A 115
ALA A 126
GLY A 104
PHE A 130
 None
 1.46A 1l5rA-2pbpA:
undetectable		 1l5rA-2pbpA:
15.33
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.
2prr ALKYLHYDROPEROXIDASE
AHPD CORE:
UNCHARACTERIZED
PEROXIDASE-RELATED
PROTEIN

(Cupriavidus
pinatubonensis) 		PF02627
(CMD) 		5 LEU A  68
GLU A  72
ALA A  79
ARG A 122
PHE A 153
 None
 1.43A 1l5rA-2prrA:
undetectable		 1l5rA-2prrA:
12.85
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.
2qts ACID-SENSING ION
CHANNEL

(Gallus gallus) 		PF00858
(ASC) 		5 LEU A 115
GLU A 239
ALA A 162
GLY A 163
TYR A 159
 None
 1.30A 1l5rA-2qtsA:
undetectable		 1l5rA-2qtsA:
19.34
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.
2r48 PHOSPHOTRANSFERASE
SYSTEM (PTS)
MANNOSE-SPECIFIC
ENZYME IIBCA
COMPONENT

(Bacillus
subtilis) 		PF02302
(PTS_IIB) 		5 LEU A  48
GLU A  37
ALA A  19
ARG A  71
PHE A  72
 None
 1.06A 1l5rA-2r48A:
undetectable		 1l5rA-2r48A:
9.90
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.
2r4q PHOSPHOTRANSFERASE
SYSTEM (PTS)
FRUCTOSE-SPECIFIC
ENZYME IIABC
COMPONENT

(Bacillus
subtilis) 		PF02302
(PTS_IIB) 		5 LEU A 217
GLU A 206
ALA A 188
ARG A 240
PHE A 241
 None
 0.96A 1l5rA-2r4qA:
undetectable		 1l5rA-2r4qA:
8.03
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.
2r4q PHOSPHOTRANSFERASE
SYSTEM (PTS)
FRUCTOSE-SPECIFIC
ENZYME IIABC
COMPONENT

(Bacillus
subtilis) 		PF02302
(PTS_IIB) 		5 LEU A 217
GLU A 206
ALA A 189
ARG A 240
PHE A 241
 None
 1.11A 1l5rA-2r4qA:
undetectable		 1l5rA-2r4qA:
8.03
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.
2xr7 MALONYLTRANSFERASE

(Nicotiana
tabacum) 		PF02458
(Transferase) 		5 PHE A 405
GLU A 404
ALA A 383
GLY A 384
ARG A 118
 None
 1.40A 1l5rA-2xr7A:
undetectable		 1l5rA-2xr7A:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aoe GLUTAMATE
DEHYDROGENASE

(Thermus
thermophilus) 		no annotation 5 LEU E 323
GLU E 317
ALA E 201
GLY E 200
ARG E 397
 None
 1.29A 1l5rA-3aoeE:
undetectable		 1l5rA-3aoeE:
18.71
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.
3ayh DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC9

(Schizosaccharomyces
pombe) 		PF03874
(RNA_pol_Rpb4) 		5 ASN A  93
LEU A  82
GLU A  86
ARG A 111
PHE A 112
 None
 1.06A 1l5rA-3ayhA:
undetectable		 1l5rA-3ayhA:
10.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cem GLYCOGEN
PHOSPHORYLASE, LIVER
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		10 ASN A 282
PHE A 285
LEU A 380
GLU A 382
TYR A 573
ALA A 610
GLY A 612
TYR A 613
ARG A 770
PHE A 771
 None
 0.66A 1l5rA-3cemA:
58.5		 1l5rA-3cemA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cem GLYCOGEN
PHOSPHORYLASE, LIVER
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		7 ASN A 282
PHE A 285
LEU A 380
HIS A 571
TYR A 573
ALA A 610
GLY A 612
 None
 1.14A 1l5rA-3cemA:
58.5		 1l5rA-3cemA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cem GLYCOGEN
PHOSPHORYLASE, LIVER
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		5 TYR A 573
ALA A 609
TYR A 613
ARG A 770
PHE A 771
 None
 1.37A 1l5rA-3cemA:
58.5		 1l5rA-3cemA:
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.
3f9u PUTATIVE EXPORTED
CYTOCHROME C
BIOGENESIS-RELATED
PROTEIN

(Bacteroides
fragilis) 		PF13899
(Thioredoxin_7) 		5 PHE A 623
TYR A 631
ALA A 625
GLY A 624
PHE A 657
 None
 1.40A 1l5rA-3f9uA:
undetectable		 1l5rA-3f9uA:
12.32
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.
3fg2 PUTATIVE RUBREDOXIN
REDUCTASE

(Rhodopseudomonas
palustris) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 ASN P  33
GLU P  73
ALA P   9
GLY P   8
ARG P  28
 None
None
None
FAD  P 449 (-3.3A)
None
 1.38A 1l5rA-3fg2P:
2.4		 1l5rA-3fg2P:
19.28
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.
3k2g RESINIFERATOXIN-BIND
ING,
PHOSPHOTRIESTERASE-R
ELATED PROTEIN

(Rhodobacter
sphaeroides) 		PF02126
(PTE) 		5 LEU A 135
GLU A 186
TYR A 134
ALA A 193
GLY A 192
 None
None
DTV  A 402 ( 4.4A)
None
None
 1.39A 1l5rA-3k2gA:
2.4		 1l5rA-3k2gA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3klj NAD(FAD)-DEPENDENT
DEHYDROGENASE,
NIRB-FAMILY
(N-TERMINAL DOMAIN)

(Clostridium
acetobutylicum) 		PF07992
(Pyr_redox_2) 		5 ASN A 267
GLU A 294
TYR A 264
ALA A 261
GLY A 258
 None
None
None
None
FAD  A 401 (-3.5A)
 1.49A 1l5rA-3kljA:
undetectable		 1l5rA-3kljA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3loq UNIVERSAL STRESS
PROTEIN

(Archaeoglobus
fulgidus) 		PF00582
(Usp) 		5 LEU A 145
TYR A  17
ALA A  74
GLY A  75
PHE A 136
 None
 1.43A 1l5rA-3loqA:
2.2		 1l5rA-3loqA:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p24 BFT-3

(Bacteroides
fragilis) 		PF13583
(Reprolysin_4)
PF16376
(fragilysinNterm) 		5 ASN A 357
HIS A 348
TYR A 191
ALA A 356
GLY A 355
 None
ZN  A 999 (-3.2A)
ZN  A 999 ( 4.6A)
None
None
 1.34A 1l5rA-3p24A:
undetectable		 1l5rA-3p24A:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wy7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00155
(Aminotran_1_2) 		5 PHE A  85
LEU A  99
GLU A  86
ALA A 271
GLY A 273
 None
 1.39A 1l5rA-3wy7A:
undetectable		 1l5rA-3wy7A:
19.19
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.
3zkj ANKYRIN REPEAT AND
SOCS BOX PROTEIN 9

(Homo sapiens) 		PF07525
(SOCS_box)
PF12796
(Ank_2) 		5 PHE A 221
LEU A 214
ALA A 191
GLY A 190
ARG A 180
 None
 1.32A 1l5rA-3zkjA:
undetectable		 1l5rA-3zkjA:
15.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 ASN B1835
LEU B1829
GLU B1832
ARG B1972
PHE B1974
 None
 1.14A 1l5rA-4bedB:
undetectable		 1l5rA-4bedB:
19.07
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.
4ell RETINOBLASTOMA-ASSOC
IATED PROTEIN

(Homo sapiens) 		PF01857
(RB_B)
PF01858
(RB_A) 		5 LEU A 461
ALA A 490
GLY A 449
TYR A 453
PHE A 404
 None
 1.49A 1l5rA-4ellA:
undetectable		 1l5rA-4ellA:
19.04
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.
4fha DIHYDRODIPICOLINATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00701
(DHDPS) 		5 LEU A  57
GLU A  61
ALA A  68
ARG A 273
PHE A  19
 None
 1.21A 1l5rA-4fhaA:
2.0		 1l5rA-4fhaA:
18.25
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.
4ieg RNA-DEPENDENT RNA
POLYMERASE P2

(Pseudomonas
phage phi12) 		no annotation 5 LEU A  52
GLU A 238
ALA A 224
GLY A 220
ARG A  21
 None
 1.33A 1l5rA-4iegA:
undetectable		 1l5rA-4iegA:
23.15
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.
4j3o OUTER MEMBRANE USHER
PROTEIN FIMD

(Escherichia
coli) 		PF00577
(Usher)
PF13953
(PapC_C)
PF13954
(PapC_N) 		5 ASN D 385
PHE D 252
LEU D 322
TYR D 366
ARG D 330
 None
 1.47A 1l5rA-4j3oD:
undetectable		 1l5rA-4j3oD:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lbi 5-CHLORO-2-HYDROXYHY
DROQUINONE
DEHYDROCHLORINASE
(TFTG)

(Burkholderia
cepacia) 		PF03795
(YCII) 		5 ASN A  20
LEU A  28
ALA A  80
GLY A  81
PHE A  71
 None
 1.41A 1l5rA-4lbiA:
undetectable		 1l5rA-4lbiA:
8.15
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.
4mx3 CAMP-DEPENDENT
PROTEIN KINASE TYPE
I-ALPHA REGULATORY
SUBUNIT

(Bos taurus) 		PF00027
(cNMP_binding) 		5 ASN A 171
LEU A 201
GLU A 200
TYR A 229
ARG A 241
 None
CMP  A 401 (-3.4A)
CMP  A 401 (-2.9A)
None
None
 1.48A 1l5rA-4mx3A:
undetectable		 1l5rA-4mx3A:
18.33
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.
4n3o PUTATIVE
D-GLYCERO-D-MANNO-HE
PTOSE 7-PHOSPHATE
KINASE

(Campylobacter
jejuni) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 LEU A 195
ALA A 287
GLY A 286
TYR A 288
PHE A 249
 None
 1.36A 1l5rA-4n3oA:
undetectable		 1l5rA-4n3oA:
18.76
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.
4nbu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Bacillus sp.
SG-1) 		PF13561
(adh_short_C2) 		5 PHE A  62
ALA A  21
GLY A  20
ARG A  83
PHE A  84
 None
None
NAI  A 301 (-3.3A)
None
None
 1.35A 1l5rA-4nbuA:
4.3		 1l5rA-4nbuA:
14.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nuz ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F2

(Streptococcus
pyogenes) 		no annotation 5 ASN A 677
PHE A 666
TYR A 640
GLY A 645
TYR A 644
 None
 1.49A 1l5rA-4nuzA:
undetectable		 1l5rA-4nuzA:
22.48
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.
4p3y THIOL:DISULFIDE
INTERCHANGE PROTEIN

(Acinetobacter
baumannii) 		PF01323
(DSBA) 		5 GLU B  28
ALA B  72
GLY B  71
TYR B  75
PHE B  57
 None
 1.30A 1l5rA-4p3yB:
2.1		 1l5rA-4p3yB:
13.11
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.
4pu6 L-ASPARAGINASE ALPHA
SUBUNIT
L-ASPARAGINASE BETA
SUBUNIT

(Phaseolus
vulgaris) 		PF01112
(Asparaginase_2) 		5 PHE B 310
LEU A  58
HIS A   9
ALA A  12
GLY B 308
 None
 1.33A 1l5rA-4pu6B:
undetectable		 1l5rA-4pu6B:
10.76
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.
4tn5 FRUCTOSE-LIKE
PHOSPHOTRANSFERASE
ENZYME IIB COMPONENT
3

(Escherichia
coli) 		PF02302
(PTS_IIB) 		5 LEU A  49
GLU A  38
ALA A  20
ARG A  73
PHE A  74
 None
 1.02A 1l5rA-4tn5A:
3.1		 1l5rA-4tn5A:
8.78
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.
4ur8 KETO-DEOXY-D-GALACTA
RATE DEHYDRATASE

(Agrobacterium
tumefaciens) 		PF00701
(DHDPS) 		5 LEU A  60
GLU A  64
ALA A  70
ARG A 278
PHE A  22
 None
 1.35A 1l5rA-4ur8A:
undetectable		 1l5rA-4ur8A:
16.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ur8 KETO-DEOXY-D-GALACTA
RATE DEHYDRATASE

(Agrobacterium
tumefaciens) 		PF00701
(DHDPS) 		5 LEU A  60
GLU A  64
ALA A  71
ARG A 278
PHE A  22
 None
 1.42A 1l5rA-4ur8A:
undetectable		 1l5rA-4ur8A:
16.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v0j ACYL-[ACYL-CARRIER-P
ROTEIN] DESATURASE,
CHLOROPLASTIC

(Ricinus
communis) 		PF03405
(FA_desaturase_2) 		5 ASN A 144
LEU A  55
GLU A 142
GLY A 147
ARG A 231
 GOL  A1364 (-3.6A)
None
None
GOL  A1364 ( 3.9A)
None
 1.32A 1l5rA-4v0jA:
undetectable		 1l5rA-4v0jA:
17.53
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.
4zj8 HUMAN OX1R FUSION
PROTEIN TO P.ABYSII
GLYCOGEN SYNTHASE

(Homo sapiens;
Pyrococcus
abyssi) 		PF00001
(7tm_1)
PF00534
(Glycos_transf_1) 		5 LEU A1126
GLU A1130
ALA A1136
GLY A1110
TYR A1109
 None
 1.32A 1l5rA-4zj8A:
21.1		 1l5rA-4zj8A:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 LEU A 363
GLU A 360
TYR A 359
ALA A 351
GLY A 355
 None
 1.45A 1l5rA-4zohA:
undetectable		 1l5rA-4zohA:
24.23
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.
5h9x BETA-1,3-GLUCANASE

(Paenibacillus
barengoltzii) 		PF16483
(Glyco_hydro_64) 		5 LEU A 262
TYR A 244
ALA A 404
GLY A 402
TYR A 406
 None
 1.35A 1l5rA-5h9xA:
undetectable		 1l5rA-5h9xA:
20.02
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.
5ify GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Burkholderia
vietnamiensis) 		PF00483
(NTP_transferase) 		5 PHE A 135
LEU A 216
TYR A 170
GLY A 174
PHE A 150
 None
None
None
TRH  A 500 ( 4.0A)
None
 1.34A 1l5rA-5ifyA:
undetectable		 1l5rA-5ifyA:
17.65
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.
5ijl DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
abyssi) 		PF03833
(PolC_DP2) 		5 ASN A 457
LEU A 512
ALA A 456
TYR A1013
PHE A 482
 None
 1.24A 1l5rA-5ijlA:
undetectable		 1l5rA-5ijlA:
23.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikp GLYCOGEN
PHOSPHORYLASE, BRAIN
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		5 TYR A 573
ALA A 610
GLY A 612
TYR A 613
PHE A 771
 None
 0.26A 1l5rA-5ikpA:
52.0		 1l5rA-5ikpA:
81.49
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.
5lgx PENTAERYTHRITOL
TETRANITRATE
REDUCTASE

(Enterobacter
cloacae) 		PF00724
(Oxidored_FMN) 		5 GLU A 272
HIS A 269
ALA A  23
GLY A 323
ARG A 286
 None
None
FMN  A 401 (-3.3A)
FMN  A 401 (-3.5A)
None
 1.28A 1l5rA-5lgxA:
2.2		 1l5rA-5lgxA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mdq CHITOPORIN

(Vibrio harveyi) 		no annotation 5 LEU A 114
GLU A 119
TYR A 118
GLY A 224
ARG A 154
 None
 1.41A 1l5rA-5mdqA:
undetectable		 1l5rA-5mdqA:
6.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mzs FERRIC ENTEROBACTIN
RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 5 LEU A 686
GLU A 708
ALA A 660
GLY A 661
ARG A  72
 None
 1.37A 1l5rA-5mzsA:
undetectable		 1l5rA-5mzsA:
6.46
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.
5vol PUTATIVE ESTERASE

(Bacteroides
intestinalis) 		PF00756
(Esterase) 		5 LEU A 130
TYR A  61
ALA A 102
GLY A 112
PHE A 169
 None
 1.08A 1l5rA-5volA:
4.0		 1l5rA-5volA:
15.31
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.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii) 		no annotation 5 LEU A 604
TYR A  39
ALA A 239
GLY A 237
PHE A  36
 None
 1.35A 1l5rA-5wugA:
undetectable		 1l5rA-5wugA:
7.04
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.
5zbh NEUROPEPTIDE Y
RECEPTOR TYPE 1,T4
LYSOZYME,NEUROPEPTID
E Y RECEPTOR TYPE 1

(Escherichia
virus T4;
Homo sapiens) 		no annotation 5 LEU A 279
ALA A  46
GLY A  48
TYR A  47
PHE A 302
 9AF  A1201 ( 3.9A)
None
None
None
9AF  A1201 (-3.6A)
 1.43A 1l5rA-5zbhA:
undetectable		 1l5rA-5zbhA:
7.78
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.
6b8s DIHYDROOROTATE
DEHYDROGENASE
(QUINONE)

(Helicobacter
pylori) 		no annotation 5 ASN A  72
LEU A  26
HIS A  19
GLY A  90
PHE A 315
 None
None
PGE  A 402 (-3.9A)
None
PGE  A 402 (-4.0A)
 1.42A 1l5rA-6b8sA:
undetectable		 1l5rA-6b8sA:
6.14
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.
6czx PHOSPHOSERINE
AMINOTRANSFERASE 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 5 ASN A  75
LEU A 418
ALA A  77
GLY A  79
PHE A 370
 None
None
None
LLP  A 265 ( 4.2A)
None
 1.44A 1l5rA-6czxA:
undetectable		 1l5rA-6czxA:
7.52
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.
6en3 ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE
F2,MULTIFUNCTIONAL-A
UTOPROCESSING
REPEATS-IN-TOXIN

(Streptococcus
pyogenes;
Vibrio cholerae) 		no annotation 5 ASN A 677
PHE A 666
TYR A 640
GLY A 645
TYR A 644
 None
 1.50A 1l5rA-6en3A:
undetectable		 1l5rA-6en3A:
7.41