SIMILAR PATTERNS OF AMINO ACIDS FOR 2DTJ_B_THRB402_0

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.
1cte CATHEPSIN B

(Rattus
norvegicus) 		PF00112
(Peptidase_C1) 		5 ASN A 238
ILE A 242
ILE A 160
ASP A 155
GLY A 236
 None
 1.37A 2dtjA-1cteA:
undetectable
2dtjB-1cteA:
undetectable		 2dtjA-1cteA:
21.24
2dtjB-1cteA:
21.24
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.
1e4a L-FUCULOSE
1-PHOSPHATE ALDOLASE

(Escherichia
coli) 		PF00596
(Aldolase_II) 		5 ASN P 146
ILE P 123
GLY P 120
ALA P 118
THR P 150
 None
 1.14A 2dtjA-1e4aP:
0.0
2dtjB-1e4aP:
0.0		 2dtjA-1e4aP:
21.52
2dtjB-1e4aP:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fxi FERREDOXIN I

(Aphanothece
sacrum) 		PF00111
(Fer2) 		5 ASN A  14
ILE A  16
GLY A  32
ALA A  28
THR A  89
 None
 1.31A 2dtjA-1fxiA:
undetectable
2dtjB-1fxiA:
undetectable		 2dtjA-1fxiA:
23.43
2dtjB-1fxiA:
23.43
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.
1gzh TUMOR SUPPRESSOR
P53-BINDING PROTEIN
1

(Homo sapiens) 		no annotation 5 ILE B1952
ILE B1957
GLY B1954
GLU B1955
GLN B1949
 None
 1.09A 2dtjA-1gzhB:
undetectable
2dtjB-1gzhB:
undetectable		 2dtjA-1gzhB:
20.23
2dtjB-1gzhB:
20.23
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.
1j8m SIGNAL RECOGNITION
54 KDA PROTEIN

(Acidianus
ambivalens) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 ILE F 246
ILE F 224
ASP F 221
GLY F 255
ALA F 258
 None
 1.29A 2dtjA-1j8mF:
undetectable
2dtjB-1j8mF:
undetectable		 2dtjA-1j8mF:
21.64
2dtjB-1j8mF:
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.
1jpu GLYCEROL
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00465
(Fe-ADH) 		5 ILE A 204
ILE A 199
GLU A 202
ALA A 203
THR A 198
 None
 1.33A 2dtjA-1jpuA:
undetectable
2dtjB-1jpuA:
undetectable		 2dtjA-1jpuA:
19.46
2dtjB-1jpuA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lmi IMMUNOGENIC PROTEIN
MPT63/MPB63

(Mycobacterium
tuberculosis) 		PF09167
(DUF1942) 		5 ILE A  95
GLY A  98
GLU A  99
ALA A  56
THR A  94
 None
 1.29A 2dtjA-1lmiA:
undetectable
2dtjB-1lmiA:
undetectable		 2dtjA-1lmiA:
20.00
2dtjB-1lmiA:
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.
1ovm INDOLE-3-PYRUVATE
DECARBOXYLASE

(Enterobacter
cloacae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ILE A 274
GLY A 276
GLU A 272
ALA A 273
THR A 267
 None
 1.15A 2dtjA-1ovmA:
undetectable
2dtjB-1ovmA:
undetectable		 2dtjA-1ovmA:
15.55
2dtjB-1ovmA:
15.55
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.
1oy0 KETOPANTOATE
HYDROXYMETHYLTRANSFE
RASE

(Mycobacterium
tuberculosis) 		PF02548
(Pantoate_transf) 		5 ILE A  55
ILE A  49
GLU A  52
ALA A  53
THR A  46
 None
 1.18A 2dtjA-1oy0A:
0.0
2dtjB-1oy0A:
0.0		 2dtjA-1oy0A:
20.70
2dtjB-1oy0A:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ptj NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA PART 1

(Rhodospirillum
rubrum) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 ASN A 300
ILE A 276
ILE A 291
ASP A 292
ALA A 261
 None
 1.27A 2dtjA-1ptjA:
undetectable
2dtjB-1ptjA:
undetectable		 2dtjA-1ptjA:
19.69
2dtjB-1ptjA:
19.69
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.
1ser PROTEIN (SERYL-TRNA
SYNTHETASE
(E.C.6.1.1.11))

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		5 ILE A 305
ILE A 333
GLU A 303
ALA A 302
THR A 346
 None
 1.31A 2dtjA-1serA:
undetectable
2dtjB-1serA:
undetectable		 2dtjA-1serA:
17.62
2dtjB-1serA:
17.62
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.
1u7n FATTY
ACID/PHOSPHOLIPID
SYNTHESIS PROTEIN
PLSX

(Enterococcus
faecalis) 		PF02504
(FA_synthesis) 		5 ASN A  99
ILE A  61
ASP A  64
GLU A  66
ALA A  70
 None
 1.10A 2dtjA-1u7nA:
undetectable
2dtjB-1u7nA:
undetectable		 2dtjA-1u7nA:
19.64
2dtjB-1u7nA:
19.64
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.
1x44 MYOSIN-BINDING
PROTEIN C, SLOW-TYPE

(Homo sapiens) 		PF07679
(I-set) 		5 ASP A  95
GLY A  22
GLU A  23
ALA A  71
THR A  18
 None
 1.29A 2dtjA-1x44A:
undetectable
2dtjB-1x44A:
undetectable		 2dtjA-1x44A:
23.46
2dtjB-1x44A:
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.
1xfc ALANINE RACEMASE

(Mycobacterium
tuberculosis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ILE A 263
ASP A 280
GLY A 266
GLU A 267
ALA A 277
 None
 1.30A 2dtjA-1xfcA:
undetectable
2dtjB-1xfcA:
undetectable		 2dtjA-1xfcA:
20.58
2dtjB-1xfcA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y7p HYPOTHETICAL PROTEIN
AF1403

(Archaeoglobus
fulgidus) 		PF01842
(ACT) 		5 ILE A 105
ILE A  90
GLY A 103
ALA A 104
THR A 122
 None
 1.26A 2dtjA-1y7pA:
5.5
2dtjB-1y7pA:
5.9		 2dtjA-1y7pA:
22.32
2dtjB-1y7pA:
22.32
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.
2cdu NADPH OXIDASE

(Lactobacillus
sanfranciscensis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 224
ILE A 152
ASP A 237
ALA A 239
THR A 151
 None
 1.08A 2dtjA-2cduA:
undetectable
2dtjB-2cduA:
undetectable		 2dtjA-2cduA:
18.60
2dtjB-2cduA:
18.60
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.
2dkd PHOSPHOACETYLGLUCOSA
MINE MUTASE

(Candida
albicans) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		5 ILE A  63
ASP A 140
GLY A 168
ALA A 138
THR A  64
 None
 1.38A 2dtjA-2dkdA:
undetectable
2dtjB-2dkdA:
undetectable		 2dtjA-2dkdA:
17.46
2dtjB-2dkdA:
17.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dt9 ASPARTOKINASE

(Thermus
thermophilus) 		PF01842
(ACT)
PF13840
(ACT_7) 		5 ILE A  24
ASP A  26
GLY A  29
ALA A  31
GLN A  50
 None
 0.65A 2dtjA-2dt9A:
21.3
2dtjB-2dt9A:
21.5		 2dtjA-2dt9A:
40.56
2dtjB-2dt9A:
40.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e0x GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli) 		PF01019
(G_glu_transpept) 		5 ILE B 425
ILE B 418
GLY B 421
ALA B 420
THR B 416
 None
 1.32A 2dtjA-2e0xB:
undetectable
2dtjB-2e0xB:
undetectable		 2dtjA-2e0xB:
21.40
2dtjB-2e0xB:
21.40
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.
2ea3 CHYMOTRYPSIN

(Cellulomonas
bogoriensis) 		PF00089
(Trypsin) 		5 ASN A  24
ILE A 181
ILE A  28
GLY A  26
ALA A  22
 None
 1.32A 2dtjA-2ea3A:
undetectable
2dtjB-2ea3A:
undetectable		 2dtjA-2ea3A:
18.91
2dtjB-2ea3A:
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ILE A 211
GLY A 456
GLU A 455
ALA A 459
THR A 429
 None
 1.24A 2dtjA-2fjaA:
undetectable
2dtjB-2fjaA:
undetectable		 2dtjA-2fjaA:
15.74
2dtjB-2fjaA:
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.
2ftw DIHYDROPYRIMIDINE
AMIDOHYDROLASE

(Dictyostelium
discoideum) 		PF01979
(Amidohydro_1) 		5 ASN A 425
ILE A 426
ILE A 357
GLY A 350
ALA A 274
 None
 1.20A 2dtjA-2ftwA:
undetectable
2dtjB-2ftwA:
undetectable		 2dtjA-2ftwA:
15.89
2dtjB-2ftwA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ftw DIHYDROPYRIMIDINE
AMIDOHYDROLASE

(Dictyostelium
discoideum) 		PF01979
(Amidohydro_1) 		5 ILE A 300
ILE A 272
GLY A 277
ALA A 274
GLN A 249
 None
 1.38A 2dtjA-2ftwA:
undetectable
2dtjB-2ftwA:
undetectable		 2dtjA-2ftwA:
15.89
2dtjB-2ftwA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hda PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE YES

(Homo sapiens) 		PF00018
(SH3_1) 		5 ILE A 142
ILE A 121
GLY A 140
ALA A 131
THR A 124
 None
 1.06A 2dtjA-2hdaA:
undetectable
2dtjB-2hdaA:
undetectable		 2dtjA-2hdaA:
18.40
2dtjB-2hdaA:
18.40
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.
2hda PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE YES

(Homo sapiens) 		PF00018
(SH3_1) 		5 ILE A 142
ILE A 121
GLY A 140
GLU A 130
ALA A 131
 None
 1.04A 2dtjA-2hdaA:
undetectable
2dtjB-2hdaA:
undetectable		 2dtjA-2hdaA:
18.40
2dtjB-2hdaA:
18.40
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.
2ich PUTATIVE ATTH

(Nitrosomonas
europaea) 		PF07143
(CrtC)
PF17186
(Lipocalin_9) 		5 ILE A 246
ASP A 229
GLY A 248
ALA A 225
THR A 348
 None
 1.29A 2dtjA-2ichA:
undetectable
2dtjB-2ichA:
undetectable		 2dtjA-2ichA:
20.77
2dtjB-2ichA:
20.77
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.
2iht CARBOXYETHYLARGININE
SYNTHASE

(Streptomyces
clavuligerus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASN A 469
ILE A 476
ASP A 472
GLY A 441
THR A 475
 None
 1.28A 2dtjA-2ihtA:
undetectable
2dtjB-2ihtA:
undetectable		 2dtjA-2ihtA:
15.53
2dtjB-2ihtA:
15.53
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.
2iq7 ENDOPOLYGALACTURONAS
E

(Colletotrichum
lupini) 		PF00295
(Glyco_hydro_28) 		5 ASN A 205
ILE A 204
ILE A 151
ASP A 181
GLY A 207
 None
 1.33A 2dtjA-2iq7A:
undetectable
2dtjB-2iq7A:
undetectable		 2dtjA-2iq7A:
17.11
2dtjB-2iq7A:
17.11
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.
2ph5 HOMOSPERMIDINE
SYNTHASE

(Legionella
pneumophila) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 ILE A 379
ILE A 348
GLU A 351
GLN A 211
THR A 225
 None
 1.32A 2dtjA-2ph5A:
undetectable
2dtjB-2ph5A:
undetectable		 2dtjA-2ph5A:
17.88
2dtjB-2ph5A:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qjt NICOTINAMIDE-NUCLEOT
IDE
ADENYLYLTRANSFERASE

(Francisella
tularensis) 		no annotation 5 ASN B 185
ILE B 188
ILE B  45
GLU B 183
GLN B 143
 None
 1.28A 2dtjA-2qjtB:
undetectable
2dtjB-2qjtB:
undetectable		 2dtjA-2qjtB:
18.95
2dtjB-2qjtB:
18.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2re1 ASPARTOKINASE, ALPHA
AND BETA SUBUNITS

(Neisseria
meningitidis) 		PF01842
(ACT)
PF13840
(ACT_7) 		5 ASP A 273
GLY A 276
ALA A 278
GLN A 297
THR A 305
 None
 0.57A 2dtjA-2re1A:
20.9
2dtjB-2re1A:
21.0		 2dtjA-2re1A:
48.43
2dtjB-2re1A:
48.43
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.
2xme CTP-INOSITOL-1-PHOSP
HATE
CYTIDYLYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF12804
(NTP_transf_3) 		5 ILE A 135
ILE A 112
GLY A 131
ALA A 128
THR A 114
 None
 1.31A 2dtjA-2xmeA:
undetectable
2dtjB-2xmeA:
undetectable		 2dtjA-2xmeA:
22.76
2dtjB-2xmeA:
22.76
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.
2xn1 ALPHA-GALACTOSIDASE

(Lactobacillus
acidophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		5 ASN A 233
ILE A 562
GLY A 534
GLU A 206
ALA A 550
 None
 1.27A 2dtjA-2xn1A:
undetectable
2dtjB-2xn1A:
undetectable		 2dtjA-2xn1A:
14.07
2dtjB-2xn1A:
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.
2yjg LACTATE RACEMASE
APOPROTEIN

(Thermoanaerobacterium
thermosaccharolyticum) 		PF09861
(DUF2088) 		5 ILE A 236
ILE A  68
GLY A 169
GLU A 168
ALA A 167
 None
 1.19A 2dtjA-2yjgA:
undetectable
2dtjB-2yjgA:
undetectable		 2dtjA-2yjgA:
16.48
2dtjB-2yjgA:
16.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ab4 ASPARTOKINASE
ASPARTOKINASE

(Corynebacterium
glutamicum;
Corynebacterium
glutamicum) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7)
PF01842
(ACT)
PF13840
(ACT_7) 		9 ASN A 374
ILE A 375
ILE B  23
ASP B  25
GLY B  28
GLU B  29
ALA B  30
GLN B  49
THR B  59
 THR  B 201 (-2.8A)
THR  B 201 (-3.7A)
THR  B 201 ( 4.7A)
THR  B 201 (-3.4A)
THR  B 201 (-4.1A)
None
THR  B 201 (-3.0A)
THR  B 201 (-3.0A)
THR  B 201 ( 4.8A)
 0.36A 2dtjA-3ab4A:
22.2
2dtjB-3ab4A:
23.0		 2dtjA-3ab4A:
40.62
2dtjB-3ab4A:
40.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ab4 ASPARTOKINASE
ASPARTOKINASE

(Corynebacterium
glutamicum;
Corynebacterium
glutamicum) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7)
PF01842
(ACT)
PF13840
(ACT_7) 		9 ASN B 125
ILE B 126
ILE A 272
ASP A 274
GLY A 277
GLU A 278
ALA A 279
GLN A 298
THR A 308
 THR  A 501 (-3.1A)
THR  A 501 (-3.6A)
THR  A 501 ( 4.7A)
THR  A 501 (-4.0A)
THR  A 501 (-3.9A)
None
THR  A 501 (-3.4A)
THR  A 501 (-2.6A)
THR  A 501 (-3.7A)
 0.47A 2dtjA-3ab4B:
24.5
2dtjB-3ab4B:
23.8		 2dtjA-3ab4B:
99.44
2dtjB-3ab4B:
99.44
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.
3ffs INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00478
(IMPDH) 		5 ILE A 255
ILE A 232
GLY A 262
ALA A 264
THR A  11
 None
 1.06A 2dtjA-3ffsA:
undetectable
2dtjB-3ffsA:
undetectable		 2dtjA-3ffsA:
18.81
2dtjB-3ffsA:
18.81
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.
3gdw SIGMA-54 INTERACTION
DOMAIN PROTEIN

(Enterococcus
faecalis) 		PF03610
(EIIA-man) 		5 ILE A 645
ILE A 640
GLU A 643
ALA A 644
THR A 636
 None
 1.30A 2dtjA-3gdwA:
undetectable
2dtjB-3gdwA:
undetectable		 2dtjA-3gdwA:
19.55
2dtjB-3gdwA:
19.55
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.
3hup EARLY ACTIVATION
ANTIGEN CD69

(Homo sapiens) 		PF00059
(Lectin_C) 		5 ASN A 157
ILE A 123
ASP A 124
GLY A 144
ALA A 121
 None
 1.36A 2dtjA-3hupA:
undetectable
2dtjB-3hupA:
undetectable		 2dtjA-3hupA:
17.22
2dtjB-3hupA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i6s SUBTILISIN-LIKE
PROTEASE

(Solanum
lycopersicum) 		PF00082
(Peptidase_S8) 		5 ILE A 414
ILE A 398
GLY A 441
ALA A 422
THR A 397
 None
 1.12A 2dtjA-3i6sA:
undetectable
2dtjB-3i6sA:
undetectable		 2dtjA-3i6sA:
14.66
2dtjB-3i6sA:
14.66
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.
3k30 HISTAMINE
DEHYDROGENASE

(Pimelobacter
simplex) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 ILE A  98
ILE A  52
GLY A 101
GLU A  55
ALA A  54
 None
 1.39A 2dtjA-3k30A:
undetectable
2dtjB-3k30A:
undetectable		 2dtjA-3k30A:
14.35
2dtjB-3k30A:
14.35
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.
3kbg 30S RIBOSOMAL
PROTEIN S4E

(Thermoplasma
acidophilum) 		PF00900
(Ribosomal_S4e)
PF01479
(S4) 		5 ILE A 219
ILE A 177
GLY A 187
ALA A 175
THR A 178
 None
 1.34A 2dtjA-3kbgA:
undetectable
2dtjB-3kbgA:
undetectable		 2dtjA-3kbgA:
26.43
2dtjB-3kbgA:
26.43
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.
3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00478
(IMPDH) 		5 ILE A 255
ILE A 232
GLY A 262
ALA A 264
THR A  11
 None
 1.00A 2dtjA-3khjA:
undetectable
2dtjB-3khjA:
undetectable		 2dtjA-3khjA:
20.46
2dtjB-3khjA:
20.46
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.
3l0a PUTATIVE EXONUCLEASE

([Eubacterium]
rectale) 		PF12684
(DUF3799) 		5 ILE A 205
ILE A 100
ASP A 103
GLY A 194
ALA A 193
 None
 1.19A 2dtjA-3l0aA:
undetectable
2dtjB-3l0aA:
undetectable		 2dtjA-3l0aA:
20.59
2dtjB-3l0aA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l76 ASPARTOKINASE

(Synechocystis
sp. PCC 6803) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		6 ASN A 385
ILE A 386
ASP A 454
GLY A 457
ALA A 459
GLN A 478
 THR  A 602 (-3.0A)
THR  A 602 (-3.7A)
THR  A 602 (-3.7A)
THR  A 602 (-4.0A)
THR  A 602 (-3.8A)
THR  A 602 (-2.5A)
 0.23A 2dtjA-3l76A:
21.4
2dtjB-3l76A:
21.3		 2dtjA-3l76A:
14.33
2dtjB-3l76A:
14.33
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.
3l76 ASPARTOKINASE

(Synechocystis
sp. PCC 6803) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		6 ASN A 557
ILE A 558
ASP A 280
GLY A 283
ALA A 285
GLN A 304
 THR  A 601 (-3.1A)
THR  A 601 (-3.7A)
THR  A 601 (-4.0A)
THR  A 601 (-4.1A)
THR  A 601 (-3.6A)
THR  A 601 (-2.6A)
 0.28A 2dtjA-3l76A:
21.4
2dtjB-3l76A:
21.3		 2dtjA-3l76A:
14.33
2dtjB-3l76A:
14.33
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.
3l76 ASPARTOKINASE

(Synechocystis
sp. PCC 6803) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		6 ASN A 557
ILE A 558
ILE A 314
GLY A 283
ALA A 285
GLN A 304
 THR  A 601 (-3.1A)
THR  A 601 (-3.7A)
None
THR  A 601 (-4.1A)
THR  A 601 (-3.6A)
THR  A 601 (-2.6A)
 1.46A 2dtjA-3l76A:
21.4
2dtjB-3l76A:
21.3		 2dtjA-3l76A:
14.33
2dtjB-3l76A:
14.33
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.
3lae UPF0053 PROTEIN
HI0107

(Haemophilus
influenzae) 		PF03471
(CorC_HlyC) 		5 ILE A  46
ILE A  62
ASP A  48
GLU A  49
THR A  51
 None
 1.27A 2dtjA-3laeA:
undetectable
2dtjB-3laeA:
undetectable		 2dtjA-3laeA:
17.95
2dtjB-3laeA:
17.95
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.
3lae UPF0053 PROTEIN
HI0107

(Haemophilus
influenzae) 		PF03471
(CorC_HlyC) 		5 ILE A  46
ILE A  62
ASP A  48
GLY A  66
THR A  51
 None
None
None
EDO  A  81 (-3.7A)
None
 1.03A 2dtjA-3laeA:
undetectable
2dtjB-3laeA:
undetectable		 2dtjA-3laeA:
17.95
2dtjB-3laeA:
17.95
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.
3nv9 MALIC ENZYME

(Entamoeba
histolytica) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ASN A 355
ILE A 345
ILE A 399
GLY A 205
ALA A 209
 None
 1.18A 2dtjA-3nv9A:
undetectable
2dtjB-3nv9A:
undetectable		 2dtjA-3nv9A:
18.07
2dtjB-3nv9A:
18.07
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.
3o07 PYRIDOXINE
BIOSYNTHESIS PROTEIN
SNZ1

(Saccharomyces
cerevisiae) 		PF01680
(SOR_SNZ) 		5 ILE A 166
GLY A 132
GLU A 133
ALA A 134
THR A 147
 None
 1.37A 2dtjA-3o07A:
undetectable
2dtjB-3o07A:
undetectable		 2dtjA-3o07A:
20.34
2dtjB-3o07A:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3of3 PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE 1

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		5 ILE A 112
ILE A 220
ASP A 185
GLY A 191
ALA A 107
 None
 1.28A 2dtjA-3of3A:
undetectable
2dtjB-3of3A:
undetectable		 2dtjA-3of3A:
23.72
2dtjB-3of3A:
23.72
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.
3p4g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 5 ASN A 188
ILE A 187
ILE A 164
ASP A 167
GLY A 170
 MG  A 326 ( 4.1A)
None
None
MG  A 326 (-2.4A)
None
 1.09A 2dtjA-3p4gA:
undetectable
2dtjB-3p4gA:
undetectable		 2dtjA-3p4gA:
21.95
2dtjB-3p4gA:
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.
3p77 MHC RFP-Y CLASS I
ALPHA CHAIN

(Gallus gallus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 ILE A 229
ILE A 211
GLY A 227
ALA A 239
THR A 210
 None
 1.21A 2dtjA-3p77A:
undetectable
2dtjB-3p77A:
undetectable		 2dtjA-3p77A:
17.69
2dtjB-3p77A:
17.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3s1t ASPARTOKINASE

(Mycobacterium
tuberculosis) 		PF01842
(ACT)
PF13840
(ACT_7) 		5 ASP A  25
GLY A  28
ALA A  30
GLN A  49
THR A  59
 THR  A 301 (-3.7A)
THR  A 301 (-4.0A)
THR  A 301 (-3.5A)
THR  A 301 (-2.7A)
THR  A 301 (-4.8A)
 0.21A 2dtjA-3s1tA:
24.9
2dtjB-3s1tA:
24.6		 2dtjA-3s1tA:
67.96
2dtjB-3s1tA:
67.96
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.
3zh4 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		5 ILE A 353
GLY A 351
GLU A 330
GLN A 308
THR A 297
 None
 1.37A 2dtjA-3zh4A:
undetectable
2dtjB-3zh4A:
undetectable		 2dtjA-3zh4A:
17.62
2dtjB-3zh4A:
17.62
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.
4cr4 26S PROTEASE
REGULATORY SUBUNIT 8
HOMOLOG
26S PROTEASE
REGULATORY SUBUNIT
6B HOMOLOG

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF00004
(AAA) 		5 ILE K 297
ASP J 251
GLY J 215
GLU J 249
THR J 256
 None
 1.13A 2dtjA-4cr4K:
undetectable
2dtjB-4cr4K:
undetectable		 2dtjA-4cr4K:
19.30
2dtjB-4cr4K:
19.30
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.
4e2u PHO RADA INTEIN

(Pyrococcus
horikoshii) 		PF14890
(Intein_splicing) 		5 ASN A 172
ILE A 156
ILE A  68
ASP A 153
ALA A  65
 None
 1.26A 2dtjA-4e2uA:
undetectable
2dtjB-4e2uA:
undetectable		 2dtjA-4e2uA:
25.26
2dtjB-4e2uA:
25.26
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.
4f1n KPAGO

(Vanderwaltozyma
polyspora) 		PF02171
(Piwi) 		5 ILE A 786
ILE A 908
GLY A 832
GLU A 873
THR A 909
 None
 1.39A 2dtjA-4f1nA:
undetectable
2dtjB-4f1nA:
undetectable		 2dtjA-4f1nA:
9.85
2dtjB-4f1nA:
9.85
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.
4hhq SERUM PARAOXONASE BY
DIRECTED EVOLUTION

(synthetic
construct) 		PF01731
(Arylesterase) 		5 ASN A 270
ILE A 271
ASP A 169
ALA A 238
THR A 181
 CA  A 402 ( 3.8A)
None
CA  A 401 (-2.1A)
None
None
 1.39A 2dtjA-4hhqA:
undetectable
2dtjB-4hhqA:
undetectable		 2dtjA-4hhqA:
22.66
2dtjB-4hhqA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4inj LMO1638 PROTEIN

(Listeria
monocytogenes) 		PF02016
(Peptidase_S66) 		5 ILE A 200
ILE A 322
GLY A 198
GLU A 197
ALA A 309
 None
 1.28A 2dtjA-4injA:
undetectable
2dtjB-4injA:
undetectable		 2dtjA-4injA:
19.44
2dtjB-4injA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kpu ELECTRON TRANSFER
FLAVOPROTEIN ALPHA
SUBUNIT
ELECTRON TRANSFER
FLAVOPROTEIN
ALPHA/BETA-SUBUNIT

(Acidaminococcus
fermentans;
Acidaminococcus
fermentans) 		PF00766
(ETF_alpha)
PF01012
(ETF)
PF01012
(ETF) 		5 ASP A  86
GLY B 137
ALA B 133
GLN B 140
THR A  85
 None
CL  A 402 (-3.6A)
None
None
None
 1.34A 2dtjA-4kpuA:
undetectable
2dtjB-4kpuA:
undetectable		 2dtjA-4kpuA:
22.16
2dtjB-4kpuA:
22.16
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.
4l0k DRAIII

(Deinococcus
radiophilus) 		no annotation 5 ASN A 193
GLY A 195
GLU A 158
ALA A 182
GLN A 205
 None
 1.29A 2dtjA-4l0kA:
undetectable
2dtjB-4l0kA:
undetectable		 2dtjA-4l0kA:
21.12
2dtjB-4l0kA:
21.12
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.
4m8s PUTATIVE
3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Neisseria
meningitidis) 		PF13561
(adh_short_C2) 		5 ASP A  26
GLY A  19
ALA A 216
GLN A 217
THR A  27
 None
 1.25A 2dtjA-4m8sA:
undetectable
2dtjB-4m8sA:
undetectable		 2dtjA-4m8sA:
24.42
2dtjB-4m8sA:
24.42
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.
4mnd CTP
L-MYO-INOSITOL-1-PHO
SPHATE
CYTIDYLYLTRANSFERASE
/CDP-L-MYO-INOSITOL
MYO-INOSITOLPHOSPHOT
RANSFERASE

(Archaeoglobus
fulgidus) 		PF01066
(CDP-OH_P_transf)
PF12804
(NTP_transf_3) 		5 ILE A 189
ILE A 166
GLY A 185
ALA A 182
THR A 168
 None
 1.30A 2dtjA-4mndA:
undetectable
2dtjB-4mndA:
undetectable		 2dtjA-4mndA:
16.81
2dtjB-4mndA:
16.81
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.
4nfy D-3-PHOSPHOGLYCERATE
DEHYDROGENASE,
PUTATIVE

(Entamoeba
histolytica) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ILE A 158
GLY A 153
GLU A 152
ALA A 151
THR A 134
 None
 1.39A 2dtjA-4nfyA:
undetectable
2dtjB-4nfyA:
undetectable		 2dtjA-4nfyA:
23.10
2dtjB-4nfyA:
23.10
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.
4o5j UNCHARACTERIZED
PROTEIN

(Helicobacter
pylori) 		no annotation 5 ASN A 125
ILE A 131
GLY A 110
ALA A 142
THR A 130
 None
 1.32A 2dtjA-4o5jA:
undetectable
2dtjB-4o5jA:
undetectable		 2dtjA-4o5jA:
17.86
2dtjB-4o5jA:
17.86
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.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		5 ASN A1717
ILE A1659
GLU A1649
ALA A1648
THR A1656
 None
 1.19A 2dtjA-4o9xA:
undetectable
2dtjB-4o9xA:
undetectable		 2dtjA-4o9xA:
6.43
2dtjB-4o9xA:
6.43
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.
4ofs PROBABLE LIPOAMIDE
ACYLTRANSFERASE

(Thermoplasma
acidophilum) 		PF00198
(2-oxoacid_dh) 		5 ILE A 111
ILE A 150
GLY A  61
ALA A  64
THR A 149
 None
 1.09A 2dtjA-4ofsA:
undetectable
2dtjB-4ofsA:
undetectable		 2dtjA-4ofsA:
22.75
2dtjB-4ofsA:
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.
4ou2 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF00171
(Aldedh) 		5 ASN A  22
ILE A 221
GLY A 223
GLU A  51
ALA A 229
 None
 0.94A 2dtjA-4ou2A:
undetectable
2dtjB-4ou2A:
undetectable		 2dtjA-4ou2A:
15.94
2dtjB-4ou2A:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pj1 60 KDA HEAT SHOCK
PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF00118
(Cpn60_TCP1) 		5 ILE A 227
ILE A 230
GLY A 256
GLU A 257
ALA A 258
 None
 1.18A 2dtjA-4pj1A:
undetectable
2dtjB-4pj1A:
undetectable		 2dtjA-4pj1A:
16.46
2dtjB-4pj1A:
16.46
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.
4rxt SUGAR ABC
TRANSPORTER

(Agrobacterium
tumefaciens) 		PF13407
(Peripla_BP_4) 		5 ASN A 231
ILE A 233
ALA A 207
GLN A 236
THR A 262
 ARA  A 401 (-3.7A)
None
None
None
None
 1.39A 2dtjA-4rxtA:
undetectable
2dtjB-4rxtA:
undetectable		 2dtjA-4rxtA:
21.90
2dtjB-4rxtA:
21.90
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.
4ryf ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Listeria
monocytogenes) 		PF00574
(CLP_protease) 		5 ILE H 120
ILE H  64
GLY H  94
ALA H  96
THR H  90
 None
 1.32A 2dtjA-4ryfH:
undetectable
2dtjB-4ryfH:
undetectable		 2dtjA-4ryfH:
25.57
2dtjB-4ryfH:
25.57
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.
4uij BTB/POZ
DOMAIN-CONTAINING
ADAPTER FOR
CUL3-MEDIATED RHOA
DEGRADATION PROTEIN
1

(Homo sapiens) 		PF02214
(BTB_2) 		5 ILE A  96
GLY A 119
GLU A 120
ALA A 121
THR A  95
 None
 1.01A 2dtjA-4uijA:
undetectable
2dtjB-4uijA:
undetectable		 2dtjA-4uijA:
25.57
2dtjB-4uijA:
25.57
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.
4xei ACTIN-RELATED
PROTEIN 2/3 COMPLEX
SUBUNIT 3

(Bos taurus) 		PF04062
(P21-Arc) 		5 ILE E  46
ILE E  41
ASP E  40
GLU E  44
ALA E  45
 None
 1.19A 2dtjA-4xeiE:
undetectable
2dtjB-4xeiE:
undetectable		 2dtjA-4xeiE:
21.03
2dtjB-4xeiE:
21.03
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.
4xuk PUTATIVE HYDROLASE

(Acinetobacter
sp. NBRC 100985) 		PF00753
(Lactamase_B) 		5 ILE A 117
ASP A 149
GLY A 113
GLN A 234
THR A 150
 None
 1.04A 2dtjA-4xukA:
undetectable
2dtjB-4xukA:
undetectable		 2dtjA-4xukA:
20.61
2dtjB-4xukA:
20.61
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.
4xvg ALKYL HYDROPEROXIDE
REDUCTASE SUBUNIT F

(Escherichia
coli) 		PF07992
(Pyr_redox_2)
PF13192
(Thioredoxin_3) 		5 ILE A 319
ILE A 472
GLY A 504
ALA A 507
THR A 478
 None
 1.39A 2dtjA-4xvgA:
undetectable
2dtjB-4xvgA:
undetectable		 2dtjA-4xvgA:
16.83
2dtjB-4xvgA:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yo7 SUGAR ABC
TRANSPORTER
(SUGAR-BINDING
PROTEIN)

(Bacillus
halodurans) 		PF13407
(Peripla_BP_4) 		5 ILE A 124
ILE A 127
GLY A  46
ALA A 101
THR A 140
 None
 1.23A 2dtjA-4yo7A:
undetectable
2dtjB-4yo7A:
undetectable		 2dtjA-4yo7A:
19.88
2dtjB-4yo7A:
19.88
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.
5d66 UNCHARACTERIZED
PROTEIN

(Acinetobacter
baumannii) 		PF12796
(Ank_2) 		5 ASN A 189
ILE A 193
ILE A 226
GLY A 184
ALA A 180
 None
 1.30A 2dtjA-5d66A:
undetectable
2dtjB-5d66A:
undetectable		 2dtjA-5d66A:
21.00
2dtjB-5d66A:
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.
5eyf GLUTAMATE ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Enterococcus
faecium) 		PF00497
(SBP_bac_3) 		5 ILE A 109
ILE A  43
GLY A  46
ALA A 107
THR A  76
 None
 1.39A 2dtjA-5eyfA:
undetectable
2dtjB-5eyfA:
undetectable		 2dtjA-5eyfA:
23.62
2dtjB-5eyfA:
23.62
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.
5fi5 TETRAHYDROALSTONINE
SYNTHASE

(Catharanthus
roseus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 324
ILE A 349
ASP A 348
GLY A  52
THR A 352
 None
 1.36A 2dtjA-5fi5A:
undetectable
2dtjB-5fi5A:
undetectable		 2dtjA-5fi5A:
17.39
2dtjB-5fi5A:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		5 ASN A 133
GLY A 303
GLU A 298
ALA A 297
THR A 290
 None
 1.38A 2dtjA-5g10A:
undetectable
2dtjB-5g10A:
undetectable		 2dtjA-5g10A:
19.10
2dtjB-5g10A:
19.10
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.
5g1q CLP PROTEASE
PROTEOLYTIC SUBUNIT
P

(Francisella
tularensis) 		PF00574
(CLP_protease) 		5 ILE A 123
ILE A  67
GLY A  97
ALA A  99
THR A  93
 None
 1.36A 2dtjA-5g1qA:
undetectable
2dtjB-5g1qA:
undetectable		 2dtjA-5g1qA:
20.30
2dtjB-5g1qA:
20.30
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.
5gwj DNA TOPOISOMERASE
2-BETA

(Homo sapiens) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		5 ILE A 872
ILE A 731
ASP A 726
GLY A 875
ALA A 877
 None
 1.35A 2dtjA-5gwjA:
undetectable
2dtjB-5gwjA:
undetectable		 2dtjA-5gwjA:
13.43
2dtjB-5gwjA:
13.43
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.
5jd8 PERIPLASMIC SERINE
PEPTIDASE DEGS

(Yersinia pestis) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ILE A 140
ILE A 214
GLY A  82
ALA A 203
THR A 237
 None
 1.38A 2dtjA-5jd8A:
undetectable
2dtjB-5jd8A:
undetectable		 2dtjA-5jd8A:
21.35
2dtjB-5jd8A:
21.35
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.
5k10 ISOCITRATE
DEHYDROGENASE [NADP]
CYTOPLASMIC

(Homo sapiens) 		PF00180
(Iso_dh) 		5 ILE A 102
ILE A  64
GLU A 304
ALA A  61
THR A 302
 None
 1.39A 2dtjA-5k10A:
undetectable
2dtjB-5k10A:
undetectable		 2dtjA-5k10A:
20.15
2dtjB-5k10A:
20.15
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.
5l7n PLEXIN-A1

(Mus musculus) 		PF01833
(TIG) 		5 ASN A1029
ILE A1028
ASP A 989
GLY A 872
ALA A 986
 None
 1.38A 2dtjA-5l7nA:
undetectable
2dtjB-5l7nA:
undetectable		 2dtjA-5l7nA:
18.27
2dtjB-5l7nA:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5liv CYTOCHROME P450
CYP260A1,CYTOCHROME
P450 CYP260A1

(Sorangium
cellulosum) 		PF00067
(p450) 		5 ILE A 372
ILE A 316
GLU A 317
ALA A 314
THR A 291
 None
 1.34A 2dtjA-5livA:
undetectable
2dtjB-5livA:
undetectable		 2dtjA-5livA:
18.22
2dtjB-5livA:
18.22
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.
5m1h GAG PROTEIN

(Simian foamy
virus) 		PF03276
(Gag_spuma) 		5 ILE A 395
ILE A 326
GLY A 403
GLU A 402
ALA A 407
 None
 1.24A 2dtjA-5m1hA:
undetectable
2dtjB-5m1hA:
undetectable		 2dtjA-5m1hA:
20.67
2dtjB-5m1hA:
20.67
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.
5u2p SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Treponema
pallidum) 		PF01547
(SBP_bac_1) 		5 ILE A 384
ILE A 381
GLU A 211
ALA A 214
THR A 309
 None
 1.35A 2dtjA-5u2pA:
undetectable
2dtjB-5u2pA:
undetectable		 2dtjA-5u2pA:
17.67
2dtjB-5u2pA:
17.67
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.
5vil MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 5

(Homo sapiens) 		no annotation 5 ILE A 872
ILE A 780
GLY A 877
ALA A 875
THR A 784
 None
 1.24A 2dtjA-5vilA:
undetectable
2dtjB-5vilA:
undetectable		 2dtjA-5vilA:
undetectable
2dtjB-5vilA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w0s 60 KDA CHAPERONIN

(Escherichia
coli) 		PF00118
(Cpn60_TCP1) 		5 ILE A 175
ILE A 333
GLU A 178
ALA A 377
THR A 331
 None
 1.34A 2dtjA-5w0sA:
undetectable
2dtjB-5w0sA:
undetectable		 2dtjA-5w0sA:
17.30
2dtjB-5w0sA:
17.30
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.
5xcc PROBABLE SURFACE
PROTEIN

(Clostridium
perfringens) 		no annotation 5 ASN A 302
ILE A 443
ILE A 458
ASP A 457
GLY A 339
 None
 1.20A 2dtjA-5xccA:
undetectable
2dtjB-5xccA:
undetectable		 2dtjA-5xccA:
undetectable
2dtjB-5xccA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xeo CYSTEINE SYNTHASE

(Fusobacterium
nucleatum) 		no annotation 5 ILE A  59
ASP A  60
GLU A  54
ALA A  53
THR A  63
 None
 1.30A 2dtjA-5xeoA:
undetectable
2dtjB-5xeoA:
undetectable		 2dtjA-5xeoA:
undetectable
2dtjB-5xeoA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z0c NEROL DEHYDROGENASE

(Persicaria
minor) 		no annotation 5 ILE A 329
ILE A 354
ASP A 353
GLY A  49
THR A 357
 GOL  A 403 (-4.4A)
None
None
None
None
 1.39A 2dtjA-5z0cA:
undetectable
2dtjB-5z0cA:
undetectable		 2dtjA-5z0cA:
undetectable
2dtjB-5z0cA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c7v -

(-) 		no annotation 5 ASN A 103
ILE A 129
GLY A 171
ALA A 131
THR A 149
 None
 1.31A 2dtjA-6c7vA:
undetectable
2dtjB-6c7vA:
undetectable		 2dtjA-6c7vA:
undetectable
2dtjB-6c7vA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cfd ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Enterococcus
faecium) 		no annotation 5 ILE A 120
ILE A  64
GLY A  94
ALA A  96
THR A  90
 None
 1.34A 2dtjA-6cfdA:
undetectable
2dtjB-6cfdA:
undetectable		 2dtjA-6cfdA:
undetectable
2dtjB-6cfdA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ek7 YAXA

(Yersinia
enterocolitica) 		no annotation 5 ILE A  51
ILE A 397
ASP A  49
ALA A 401
THR A  46
 MPD  A 505 ( 4.5A)
None
None
None
None
 1.37A 2dtjA-6ek7A:
undetectable
2dtjB-6ek7A:
undetectable		 2dtjA-6ek7A:
undetectable
2dtjB-6ek7A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f85 CYTOCHROME P450
CYP260A1

(Sorangium
cellulosum) 		no annotation 5 ILE A 322
ILE A 266
GLU A 267
ALA A 264
THR A 241
 None
 1.38A 2dtjA-6f85A:
undetectable
2dtjB-6f85A:
undetectable		 2dtjA-6f85A:
undetectable
2dtjB-6f85A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fay ODZ3 PROTEIN

(Mus musculus) 		no annotation 5 ILE A1330
GLY A1292
GLU A1296
ALA A1294
THR A1276
 None
 1.39A 2dtjA-6fayA:
undetectable
2dtjB-6fayA:
undetectable		 2dtjA-6fayA:
undetectable
2dtjB-6fayA:
undetectable