SIMILAR PATTERNS OF AMINO ACIDS FOR 2OCU_A_TYLA3001

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.
1aei ANNEXIN XII

(Hydra vulgaris) 		PF00191
(Annexin) 		3 LEU A  71
TYR A  75
GLY A 304
 None
 0.39A 2ocuA-1aeiA:
undetectable		 2ocuA-1aeiA:
21.95
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.
1bhg BETA-GLUCURONIDASE

(Homo sapiens) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		3 LEU A 565
TYR A 569
GLY A 572
 None
 0.45A 2ocuA-1bhgA:
undetectable		 2ocuA-1bhgA:
20.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1biy LACTOFERRIN

(Bubalus bubalis) 		PF00405
(Transferrin) 		3 LEU A 651
TYR A 660
GLY A 662
 None
 0.55A 2ocuA-1biyA:
54.8		 2ocuA-1biyA:
91.30
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.
1cfe PATHOGENESIS-RELATED
PROTEIN P14A

(Solanum
lycopersicum) 		PF00188
(CAP) 		3 LEU A 105
TYR A 123
GLY A 127
 None
 0.61A 2ocuA-1cfeA:
undetectable		 2ocuA-1cfeA:
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.
1d2r PROTEIN
(TRYPTOPHANYL TRNA
SYNTHETASE)

(Geobacillus
stearothermophilus) 		PF00579
(tRNA-synt_1b) 		3 LEU A  61
TYR A  65
GLY A  69
 None
 0.64A 2ocuA-1d2rA:
undetectable		 2ocuA-1d2rA:
20.26
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.
1e1h BOTULINUM NEUROTOXIN
TYPE A LIGHT CHAIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		3 LEU B 344
TYR A 232
GLY A 180
 None
 0.46A 2ocuA-1e1hB:
undetectable		 2ocuA-1e1hB:
19.71
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.
1e6v METHYL-COENZYME M
REDUCTASE I ALPHA
SUBUNIT
METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT
METHYL-COENZYME M
REDUCTASE I GAMMA
SUBUNIT

(Methanopyrus
kandleri) 		PF02240
(MCR_gamma)
PF02241
(MCR_beta)
PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
PF02783
(MCR_beta_N) 		3 LEU C 121
TYR A 447
GLY B 359
 None
 0.63A 2ocuA-1e6vC:
undetectable		 2ocuA-1e6vC:
18.66
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.
1f0i PHOSPHOLIPASE D

(Streptomyces
sp. PMF) 		PF13091
(PLDc_2) 		3 LEU A 207
TYR A 476
GLY A 462
 None
 0.54A 2ocuA-1f0iA:
undetectable		 2ocuA-1f0iA:
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.
1fhe GLUTATHIONE
TRANSFERASE

(Fasciola
hepatica) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		3 LEU A 185
TYR A  22
GLY A  24
 None
 0.51A 2ocuA-1fheA:
undetectable		 2ocuA-1fheA:
18.34
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.
1fkm PROTEIN (GYP1P)

(Saccharomyces
cerevisiae) 		PF00566
(RabGAP-TBC) 		3 LEU A 433
TYR A 440
GLY A 446
 None
 0.54A 2ocuA-1fkmA:
undetectable		 2ocuA-1fkmA:
22.17
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.
1gqj ALPHA-D-GLUCURONIDAS
E

(Cellvibrio
japonicus) 		PF03648
(Glyco_hydro_67N)
PF07477
(Glyco_hydro_67C)
PF07488
(Glyco_hydro_67M) 		3 LEU A 612
TYR A 616
GLY A 619
 None
 0.42A 2ocuA-1gqjA:
undetectable		 2ocuA-1gqjA:
16.55
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.
1h7l SPORE COAT
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN
SPSA

(Bacillus
subtilis) 		PF00535
(Glycos_transf_2) 		3 LEU A 237
TYR A 187
GLY A 190
 None
 0.61A 2ocuA-1h7lA:
undetectable		 2ocuA-1h7lA:
21.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1i6q LACTOFERRIN

(Camelus
dromedarius) 		PF00405
(Transferrin) 		3 LEU A 651
TYR A 660
GLY A 662
 None
 0.40A 2ocuA-1i6qA:
25.8		 2ocuA-1i6qA:
42.98
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.
1j2z ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Helicobacter
pylori) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		3 LEU A 201
TYR A 146
GLY A 144
 None
 0.50A 2ocuA-1j2zA:
undetectable		 2ocuA-1j2zA:
20.00
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.
1jlx AGGLUTININ

(Amaranthus
caudatus) 		PF07468
(Agglutinin) 		3 LEU A 193
TYR A 174
GLY A 189
 None
 0.60A 2ocuA-1jlxA:
undetectable		 2ocuA-1jlxA:
22.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jnf SEROTRANSFERRIN

(Oryctolagus
cuniculus) 		PF00405
(Transferrin) 		3 LEU A 638
TYR A 647
GLY A 649
 None
 0.48A 2ocuA-1jnfA:
50.2		 2ocuA-1jnfA:
31.33
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		3 LEU A 448
TYR A 464
GLY A 471
 None
 0.64A 2ocuA-1k7hA:
undetectable		 2ocuA-1k7hA:
21.16
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.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE

(Lactococcus
lactis) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N) 		3 LEU A 244
TYR A 304
GLY A 302
 None
 0.60A 2ocuA-1lnsA:
undetectable		 2ocuA-1lnsA:
20.00
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.
1m41 FMNH2-DEPENDENT
ALKANESULFONATE
MONOOXYGENASE

(Escherichia
coli) 		PF00296
(Bac_luciferase) 		3 LEU A 334
TYR A 338
GLY A 341
 None
 0.61A 2ocuA-1m41A:
undetectable		 2ocuA-1m41A:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m64 FLAVOCYTOCHROME C3

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		3 LEU A  29
TYR A 298
GLY A 296
 HEM  A 801 ( 4.9A)
HEM  A 801 ( 4.9A)
None
 0.63A 2ocuA-1m64A:
undetectable		 2ocuA-1m64A:
20.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n76 LACTOFERRIN

(Homo sapiens) 		PF00405
(Transferrin) 		3 LEU A 653
TYR A 662
GLY A 664
 None
 0.47A 2ocuA-1n76A:
53.5		 2ocuA-1n76A:
41.19
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.
1na3 DESIGNED PROTEIN
CTPR2

(unidentified) 		PF13432
(TPR_16) 		3 LEU A  10
TYR A  14
GLY A  18
 None
 0.64A 2ocuA-1na3A:
undetectable		 2ocuA-1na3A:
14.07
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.
1na3 DESIGNED PROTEIN
CTPR2

(unidentified) 		PF13432
(TPR_16) 		3 LEU A  44
TYR A  48
GLY A  52
 None
 0.64A 2ocuA-1na3A:
undetectable		 2ocuA-1na3A:
14.07
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.
1obf GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Achromobacter
xylosoxidans) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		3 LEU O  17
TYR O  21
GLY O  24
 None
 0.61A 2ocuA-1obfO:
undetectable		 2ocuA-1obfO:
22.11
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.
1q2l PROTEASE III

(Escherichia
coli) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF16187
(Peptidase_M16_M) 		3 LEU A 218
TYR A  89
GLY A 201
 None
 0.54A 2ocuA-1q2lA:
undetectable		 2ocuA-1q2lA:
16.17
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.
1q5d P450 EPOXIDASE

(Sorangium
cellulosum) 		PF00067
(p450) 		3 LEU A 134
TYR A 149
GLY A 152
 None
 0.64A 2ocuA-1q5dA:
undetectable		 2ocuA-1q5dA:
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.
1q9h CELLOBIOHYDROLASE I
CATALYTIC DOMAIN

(Rasamsonia
emersonii) 		PF00840
(Glyco_hydro_7) 		3 LEU A  34
TYR A  82
GLY A  80
 None
 0.63A 2ocuA-1q9hA:
undetectable		 2ocuA-1q9hA:
22.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qjm LACTOFERRIN

(Equus caballus) 		PF00405
(Transferrin) 		3 LEU A 651
TYR A 660
GLY A 662
 None
 0.46A 2ocuA-1qjmA:
53.7		 2ocuA-1qjmA:
40.68
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.
1qsd PROTEIN
(BETA-TUBULIN
BINDING
POST-CHAPERONIN
COFACTOR)

(Saccharomyces
cerevisiae) 		PF02970
(TBCA) 		3 LEU A  61
TYR A  23
GLY A  21
 None
 0.61A 2ocuA-1qsdA:
undetectable		 2ocuA-1qsdA:
15.74
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.
1rmg RHAMNOGALACTURONASE
A

(Aspergillus
aculeatus) 		PF00295
(Glyco_hydro_28) 		3 LEU A 266
TYR A 250
GLY A 221
 None
 0.48A 2ocuA-1rmgA:
undetectable		 2ocuA-1rmgA:
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.
1rrc POLYNUCLEOTIDE
KINASE

(Escherichia
virus T4) 		PF13671
(AAA_33) 		3 LEU A 196
TYR A 200
GLY A 204
 None
 0.57A 2ocuA-1rrcA:
undetectable		 2ocuA-1rrcA:
19.45
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.
1s7k ACETYL TRANSFERASE

(Salmonella
enterica) 		PF13302
(Acetyltransf_3) 		3 LEU A 117
TYR A 121
GLY A 125
 None
 0.62A 2ocuA-1s7kA:
undetectable		 2ocuA-1s7kA:
17.29
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT

(Thauera
aromatica) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		3 LEU A 221
TYR A 217
GLY A 519
 None
 0.49A 2ocuA-1sb3A:
undetectable		 2ocuA-1sb3A:
19.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1suv SEROTRANSFERRIN,
C-LOBE

(Homo sapiens) 		PF00405
(Transferrin) 		3 LEU E 638
TYR E 647
GLY E 649
 None
 0.48A 2ocuA-1suvE:
50.0		 2ocuA-1suvE:
58.81
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.
1tez DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE

(Synechococcus
elongatus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		3 LEU A  62
TYR A  66
GLY A  70
 None
 0.58A 2ocuA-1tezA:
undetectable		 2ocuA-1tezA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tkk SIMILAR TO
CHLOROMUCONATE
CYCLOISOMERASE

(Bacillus
subtilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 LEU A  79
TYR A  38
GLY A  41
 None
 0.65A 2ocuA-1tkkA:
undetectable		 2ocuA-1tkkA:
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.
1tlt PUTATIVE
OXIDOREDUCTASE
(VIRULENCE FACTOR
MVIM HOMOLOG)

(Escherichia
coli) 		PF01408
(GFO_IDH_MocA) 		3 LEU A  45
TYR A  55
GLY A  35
 None
 0.58A 2ocuA-1tltA:
undetectable		 2ocuA-1tltA:
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.
1u53 SECRETED PROTEIN
ASP-2

(Necator
americanus) 		PF00188
(CAP) 		3 LEU A 141
TYR A 158
GLY A 162
 None
 0.42A 2ocuA-1u53A:
undetectable		 2ocuA-1u53A:
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.
1uxt GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
(NADP+)

(Thermoproteus
tenax) 		PF00171
(Aldedh) 		3 LEU A 208
TYR A  22
GLY A  28
 None
 0.61A 2ocuA-1uxtA:
undetectable		 2ocuA-1uxtA:
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.
1v9n MALATE DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF02615
(Ldh_2) 		3 LEU A 250
TYR A 246
GLY A 242
 None
 0.60A 2ocuA-1v9nA:
undetectable		 2ocuA-1v9nA:
22.68
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.
1vz0 CHROMOSOME-PARTITION
ING PROTEIN SPO0J

(Thermus
thermophilus) 		PF02195
(ParBc) 		3 LEU A  85
TYR A  81
GLY A  77
 None
 0.62A 2ocuA-1vz0A:
undetectable		 2ocuA-1vz0A:
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.
1x0a MALATE/L-LACTATE
DEHYDROGENASE FAMILY
PROTEIN

(Thermus
thermophilus) 		PF02615
(Ldh_2) 		3 LEU A 228
TYR A 224
GLY A 220
 None
 0.64A 2ocuA-1x0aA:
undetectable		 2ocuA-1x0aA:
21.37
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.
1xkh FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 LEU A 762
TYR A 760
GLY A 738
 None
 0.63A 2ocuA-1xkhA:
undetectable		 2ocuA-1xkhA:
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.
1ydw AX110P-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF01408
(GFO_IDH_MocA) 		3 LEU A  99
TYR A  76
GLY A  13
 None
 0.61A 2ocuA-1ydwA:
1.7		 2ocuA-1ydwA:
23.87
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.
1yw0 TRYPTOPHAN
2,3-DIOXYGENASE

(Xanthomonas
campestris) 		PF03301
(Trp_dioxygenase) 		3 LEU A 173
TYR A 169
GLY A 139
 None
 0.61A 2ocuA-1yw0A:
undetectable		 2ocuA-1yw0A:
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.
1zb7 NEUROTOXIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		3 LEU A 351
TYR A 240
GLY A 188
 None
 0.57A 2ocuA-1zb7A:
undetectable		 2ocuA-1zb7A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a8f BETA-ELICITIN
CINNAMOMIN

(Phytophthora
cinnamomi) 		PF00964
(Elicitin) 		3 LEU A  82
TYR A  87
GLY A  90
 None
 0.59A 2ocuA-2a8fA:
undetectable		 2ocuA-2a8fA:
16.29
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.
2avf COPPER-CONTAINING
NITRITE REDUCTASE

(Achromobacter
cycloclastes) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		3 LEU A 170
TYR A 263
GLY A 261
 None
 0.59A 2ocuA-2avfA:
undetectable		 2ocuA-2avfA:
24.36
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.
2b19 NEUROPEPTIDE K

(Homo sapiens) 		PF02202
(Tachykinin) 		3 LEU A  13
TYR A  17
GLY A  20
 None
 0.58A 2ocuA-2b19A:
undetectable		 2ocuA-2b19A:
10.64
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.
2buj SERINE/THREONINE-PRO
TEIN KINASE 16

(Homo sapiens) 		PF00069
(Pkinase) 		3 LEU A  52
TYR A  33
GLY A  27
 None
None
STU  A1301 ( 3.8A)
 0.60A 2ocuA-2bujA:
undetectable		 2ocuA-2bujA:
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.
2bv8 C-PHYCOCYANIN BETA
SUBUNIT

(Gracilaria
chilensis) 		PF00502
(Phycobilisome) 		3 LEU B 113
TYR B 117
GLY B 121
 CYC  B1174 (-4.1A)
None
MEN  B  72 ( 4.7A)
 0.63A 2ocuA-2bv8B:
undetectable		 2ocuA-2bv8B:
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.
2dj3 PROTEIN
DISULFIDE-ISOMERASE
A4

(Mus musculus) 		PF00085
(Thioredoxin) 		3 LEU A  50
TYR A  54
GLY A  56
 None
 0.56A 2ocuA-2dj3A:
undetectable		 2ocuA-2dj3A:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e67 HYPOTHETICAL PROTEIN
TTHB029

(Thermus
thermophilus) 		PF04794
(YdjC) 		3 LEU A 239
TYR A 199
GLY A 197
 None
 0.54A 2ocuA-2e67A:
undetectable		 2ocuA-2e67A:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fhe GLUTATHIONE
S-TRANSFERASE

(Fasciola
hepatica) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		3 LEU A 185
TYR A  22
GLY A  24
 None
 0.36A 2ocuA-2fheA:
undetectable		 2ocuA-2fheA:
19.02
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.
2fv0 UNSATURATED
GLUCURONYL HYDROLASE

(Bacillus sp.
GL1) 		PF07470
(Glyco_hydro_88) 		3 LEU A 112
TYR A  93
GLY A  90
 None
 0.65A 2ocuA-2fv0A:
undetectable		 2ocuA-2fv0A:
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.
2fx5 LIPASE

(Pseudomonas
mendocina) 		no annotation 3 LEU A 100
TYR A 111
GLY A 109
 None
 0.47A 2ocuA-2fx5A:
undetectable		 2ocuA-2fx5A:
20.17
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.
2g9n EUKARYOTIC
INITIATION FACTOR
4A-I

(Homo sapiens) 		PF00270
(DEAD) 		3 LEU A  44
TYR A  48
GLY A  51
 None
 0.60A 2ocuA-2g9nA:
undetectable		 2ocuA-2g9nA:
20.17
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.
2gno DNA POLYMERASE III,
GAMMA
SUBUNIT-RELATED
PROTEIN

(Thermotoga
maritima) 		PF13177
(DNA_pol3_delta2) 		3 LEU A 154
TYR A 180
GLY A 183
 None
 0.64A 2ocuA-2gnoA:
undetectable		 2ocuA-2gnoA:
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.
2h98 HTH-TYPE
TRANSCRIPTIONAL
REGULATOR CATM

(Acinetobacter
sp. ADP1) 		PF03466
(LysR_substrate) 		3 LEU A 101
TYR A  96
GLY A 127
 None
None
CL  A 315 ( 3.8A)
 0.42A 2ocuA-2h98A:
6.2		 2ocuA-2h98A:
19.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hau SEROTRANSFERRIN

(Homo sapiens) 		PF00405
(Transferrin) 		3 LEU A 641
TYR A 650
GLY A 652
 None
 0.26A 2ocuA-2hauA:
25.1		 2ocuA-2hauA:
32.01
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.
2hck HEMATOPOETIC CELL
KINASE HCK

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		3 LEU A 226
TYR A 230
GLY A 233
 None
 0.65A 2ocuA-2hckA:
undetectable		 2ocuA-2hckA:
22.05
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.
2hur NUCLEOSIDE
DIPHOSPHATE KINASE

(Escherichia
coli) 		PF00334
(NDK) 		3 LEU A  63
TYR A  51
GLY A  49
 None
 0.64A 2ocuA-2hurA:
undetectable		 2ocuA-2hurA:
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.
2i5i UPF0249 PROTEIN
EF_3048

(Enterococcus
faecalis) 		PF04794
(YdjC) 		3 LEU A 260
TYR A 257
GLY A  61
 None
 0.64A 2ocuA-2i5iA:
undetectable		 2ocuA-2i5iA:
20.35
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.
2j7c BETA-GLUCOSIDASE A

(Thermotoga
maritima) 		PF00232
(Glyco_hydro_1) 		3 LEU A 272
TYR A 260
GLY A 258
 None
 0.62A 2ocuA-2j7cA:
undetectable		 2ocuA-2j7cA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nck NUCLEOSIDE
DIPHOSPHATE KINASE

(Myxococcus
xanthus) 		no annotation 3 LEU R  63
TYR R  51
GLY R  49
 None
 0.60A 2ocuA-2nckR:
undetectable		 2ocuA-2nckR:
16.17
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.
2np0 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		3 LEU A 351
TYR A 239
GLY A 187
 None
 0.58A 2ocuA-2np0A:
undetectable		 2ocuA-2np0A:
13.29
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.
2nz9 BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		3 LEU A 345
TYR A 233
GLY A 181
 None
 0.60A 2ocuA-2nz9A:
undetectable		 2ocuA-2nz9A:
13.70
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.
2o14 HYPOTHETICAL PROTEIN
YXIM

(Bacillus
subtilis) 		PF13472
(Lipase_GDSL_2) 		3 LEU A 179
TYR A 177
GLY A 116
 None
 0.57A 2ocuA-2o14A:
undetectable		 2ocuA-2o14A:
22.33
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.
2ogj DIHYDROOROTASE

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		3 LEU A 220
TYR A 216
GLY A 238
 None
 0.62A 2ocuA-2ogjA:
undetectable		 2ocuA-2ogjA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ogj DIHYDROOROTASE

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		3 LEU A 247
TYR A 216
GLY A 210
 None
 0.62A 2ocuA-2ogjA:
undetectable		 2ocuA-2ogjA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ou2 HISTONE
ACETYLTRANSFERASE
HTATIP

(Homo sapiens) 		PF01853
(MOZ_SAS) 		3 LEU A 441
TYR A 329
GLY A 301
 None
 0.63A 2ocuA-2ou2A:
undetectable		 2ocuA-2ou2A:
20.33
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.
2p8u HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
CYTOPLASMIC

(Homo sapiens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		3 LEU A  82
TYR A 152
GLY A 150
 None
 0.57A 2ocuA-2p8uA:
undetectable		 2ocuA-2p8uA:
21.21
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.
2q9g CYTOCHROME P450 46A1

(Homo sapiens) 		PF00067
(p450) 		3 LEU A 476
TYR A 396
GLY A 399
 None
 0.63A 2ocuA-2q9gA:
undetectable		 2ocuA-2q9gA:
23.64
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.
2r2o PLEXIN-B1

(Homo sapiens) 		PF08337
(Plexin_cytopl) 		3 LEU A1785
TYR A1789
GLY A1791
 None
 0.65A 2ocuA-2r2oA:
undetectable		 2ocuA-2r2oA:
16.95
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.
2uun C-PHYCOCYANIN

(Leptolyngbya
sp.) 		PF00502
(Phycobilisome) 		3 LEU B 113
TYR B 117
GLY B 121
 CYC  B 184 (-3.9A)
None
None
 0.60A 2ocuA-2uunB:
undetectable		 2ocuA-2uunB:
19.36
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.
2vjh PHYCOERYTHRIN BETA
SUBUNIT

(Gloeobacter
violaceus) 		PF00502
(Phycobilisome) 		3 LEU B 113
TYR B 117
GLY B 121
 PEB  B1082 (-4.5A)
None
MEN  B  72 ( 4.5A)
 0.60A 2ocuA-2vjhB:
undetectable		 2ocuA-2vjhB:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vjt ALLOPHYCOCYANIN BETA
SUBUNIT

(Gloeobacter
violaceus) 		PF00502
(Phycobilisome) 		3 LEU B 112
TYR B 116
GLY B 120
 None
None
MEN  B  71 ( 4.2A)
 0.63A 2ocuA-2vjtB:
undetectable		 2ocuA-2vjtB:
18.77
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.
2voy SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Oryctolagus
cuniculus) 		no annotation 3 LEU D 833
TYR D 837
GLY D 841
 None
 0.61A 2ocuA-2voyD:
undetectable		 2ocuA-2voyD:
5.29
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.
2vq2 PUTATIVE FIMBRIAL
BIOGENESIS AND
TWITCHING MOTILITY
PROTEIN

(Neisseria
meningitidis) 		PF13429
(TPR_15) 		3 LEU A  42
TYR A  46
GLY A  49
 None
GOL  A1253 (-4.6A)
GOL  A1253 (-3.5A)
 0.55A 2ocuA-2vq2A:
undetectable		 2ocuA-2vq2A:
22.12
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.
2wam CONSERVED
HYPOTHETICAL ALANINE
AND LEUCINE RICH
PROTEIN

(Mycobacterium
tuberculosis) 		PF09754
(PAC2) 		3 LEU A  23
TYR A  21
GLY A  19
 None
 0.57A 2ocuA-2wamA:
undetectable		 2ocuA-2wamA:
23.35
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.
2wd5 STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
1A

(Mus musculus) 		PF06470
(SMC_hinge) 		3 LEU A 576
TYR A 611
GLY A 614
 None
 0.63A 2ocuA-2wd5A:
undetectable		 2ocuA-2wd5A:
19.14
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.
2wjs LAMININ SUBUNIT
ALPHA-2

(Mus musculus) 		PF00054
(Laminin_G_1) 		3 LEU A2389
TYR A2488
GLY A2341
 None
 0.64A 2ocuA-2wjsA:
undetectable		 2ocuA-2wjsA:
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.
2wqq ALPHA-2,3-/2,8-SIALY
LTRANSFERASE

(Campylobacter
jejuni) 		PF06002
(CST-I) 		3 LEU A  86
TYR A  81
GLY A 105
 None
 0.64A 2ocuA-2wqqA:
undetectable		 2ocuA-2wqqA:
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.
2wrt GLUTATHIONE
S-TRANSFERASE
CLASS-MU 26 KDA
ISOZYME 51

(Fasciola
hepatica) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		3 LEU A 186
TYR A  23
GLY A  25
 CL  A1219 ( 4.0A)
None
None
 0.39A 2ocuA-2wrtA:
undetectable		 2ocuA-2wrtA:
19.60
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.
2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		3 LEU A 484
TYR A 488
GLY A 491
 None
 0.63A 2ocuA-2x58A:
undetectable		 2ocuA-2x58A:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xdr BETAINE ALDEHYDE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00171
(Aldedh) 		3 LEU A 188
TYR A 192
GLY A 196
 None
 0.61A 2ocuA-2xdrA:
undetectable		 2ocuA-2xdrA:
23.94
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.
2y4o PHENYLACETATE-COENZY
ME A LIGASE

(Burkholderia
cenocepacia) 		PF00501
(AMP-binding)
PF14535
(AMP-binding_C_2) 		3 LEU A 324
TYR A 241
GLY A 217
 None
DLL  A1441 (-4.8A)
DLL  A1441 ( 3.8A)
 0.61A 2ocuA-2y4oA:
undetectable		 2ocuA-2y4oA:
22.05
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.
2yfn ALPHA-GALACTOSIDASE-
SUCROSE KINASE AGASK

([Ruminococcus]
gnavus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		3 LEU A 117
TYR A 115
GLY A 113
 None
 0.61A 2ocuA-2yfnA:
undetectable		 2ocuA-2yfnA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yg1 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Heterobasidion
annosum) 		PF00840
(Glyco_hydro_7) 		3 LEU A  34
TYR A  82
GLY A  80
 None
 0.62A 2ocuA-2yg1A:
undetectable		 2ocuA-2yg1A:
21.68
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.
2ze4 PHOSPHOLIPASE D

(Streptomyces
antibioticus) 		PF13091
(PLDc_2) 		3 LEU A 205
TYR A 470
GLY A 456
 None
 0.62A 2ocuA-2ze4A:
undetectable		 2ocuA-2ze4A:
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.
3a1n NDP-SUGAR EPIMERASE

(Thermoplasma
volcanium) 		PF01370
(Epimerase) 		3 LEU A 162
TYR A 164
GLY A 166
 None
None
NAD  A3001 ( 4.6A)
 0.57A 2ocuA-3a1nA:
undetectable		 2ocuA-3a1nA:
22.17
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.
3asf MAGNETOSOME PROTEIN
MAMA

(Magnetospirillum
gryphiswaldense) 		PF13181
(TPR_8)
PF13432
(TPR_16) 		3 LEU A  86
TYR A  90
GLY A  94
 None
 0.59A 2ocuA-3asfA:
undetectable		 2ocuA-3asfA:
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.
3cqo FBP32

(Morone
saxatilis) 		PF00754
(F5_F8_type_C) 		3 LEU A 235
TYR A 268
GLY A 266
 None
 0.61A 2ocuA-3cqoA:
undetectable		 2ocuA-3cqoA:
18.21
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.
3ct9 ACETYLORNITHINE
DEACETYLASE

(Bacteroides
thetaiotaomicron) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		3 LEU A 112
TYR A 346
GLY A 344
 None
 0.61A 2ocuA-3ct9A:
undetectable		 2ocuA-3ct9A:
23.17
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.
3d2u UL18 PROTEIN

(Human
betaherpesvirus
5) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 LEU A   3
TYR A 181
GLY A 183
 None
 0.57A 2ocuA-3d2uA:
undetectable		 2ocuA-3d2uA:
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.
3ddu PROLYL ENDOPEPTIDASE

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		3 LEU A 647
TYR A 589
GLY A 592
 None
 0.65A 2ocuA-3dduA:
undetectable		 2ocuA-3dduA:
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.
3dl0 ADENYLATE KINASE

(Bacillus
subtilis) 		PF00406
(ADK)
PF05191
(ADK_lid) 		3 LEU A 182
TYR A 186
GLY A 190
 None
 0.65A 2ocuA-3dl0A:
undetectable		 2ocuA-3dl0A:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dse BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		3 LEU A 345
TYR A 233
GLY A 181
 None
 0.53A 2ocuA-3dseA:
undetectable		 2ocuA-3dseA:
19.45
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.
3dwk PENICILLIN-BINDING
PROTEIN 2

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		3 LEU A 599
TYR A 589
GLY A 587
 None
SO4  A  24 (-4.7A)
None
 0.61A 2ocuA-3dwkA:
undetectable		 2ocuA-3dwkA:
19.40
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.
3e0x LIPASE-ESTERASE
RELATED PROTEIN

(Clostridium
acetobutylicum) 		PF12146
(Hydrolase_4) 		3 LEU A 227
TYR A  88
GLY A  92
 None
OXE  A 243 (-4.2A)
None
 0.50A 2ocuA-3e0xA:
undetectable		 2ocuA-3e0xA:
21.47