SIMILAR PATTERNS OF AMINO ACIDS FOR 3TKG_C_ROCC901_3

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.
1g01 ENDOGLUCANASE

(Bacillus sp.
KSM-635) 		PF00150
(Cellulase)
PF03424
(CBM_17_28) 		3 ASP A 577
THR A 532
PRO A 533
 None
 0.59A 3tkgD-1g01A:
undetectable		 3tkgD-1g01A:
17.36
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.
1htn TETRANECTIN

(Homo sapiens) 		PF00059
(Lectin_C) 		3 ASP A 116
THR A  86
PRO A  87
 CA  A 182 ( 2.4A)
None
None
 0.65A 3tkgD-1htnA:
undetectable		 3tkgD-1htnA:
23.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		3 ASP A  29
THR A  80
PRO A  81
 A79  A 800 (-2.7A)
None
A79  A 800 ( 3.4A)
 0.18A 3tkgD-1hvcA:
13.9		 3tkgD-1hvcA:
47.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		3 ASP A  29
THR A  80
PRO A  81
 A79  A 800 (-2.8A)
None
A79  A 800 ( 3.9A)
 0.45A 3tkgD-1hvcA:
13.9		 3tkgD-1hvcA:
47.78
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.
1keh PRECURSOR OF
CEPHALOSPORIN
ACYLASE

(Brevundimonas
diminuta) 		PF01804
(Penicil_amidase) 		3 ASP A 589
THR A 619
PRO A 620
 None
 0.39A 3tkgD-1kehA:
undetectable		 3tkgD-1kehA:
8.56
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.
1nrw HYPOTHETICAL
PROTEIN, HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacillus
subtilis) 		PF08282
(Hydrolase_3) 		3 ASP A 124
THR A 111
PRO A 112
 None
 0.58A 3tkgD-1nrwA:
undetectable		 3tkgD-1nrwA:
16.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		3 ASP A  29
THR A  80
PRO A  81
 None
 0.28A 3tkgD-1sivA:
18.2		 3tkgD-1sivA:
51.96
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.
1wvi PUTATIVE
PHOSPHATASES
INVOLVED IN
N-ACETYL-GLUCOSAMINE
CATABOLISM

(Streptococcus
mutans) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		3 ASP A1026
THR A1064
PRO A1065
 None
 0.66A 3tkgD-1wviA:
undetectable		 3tkgD-1wviA:
25.51
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		3 ASP A 130
THR A  30
PRO A  31
 None
SAH  A1001 (-4.0A)
None
 0.53A 3tkgD-1wy7A:
undetectable		 3tkgD-1wy7A:
25.29
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.
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01039
(Carboxyl_trans) 		3 ASP A 345
THR A 370
PRO A 371
 None
 0.67A 3tkgD-1x0uA:
undetectable		 3tkgD-1x0uA:
13.61
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.
1xe7 HYPOTHETICAL 22.5
KDA PROTEIN IN
TUB1-CPR3 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF06172
(Cupin_5) 		3 ASP A  36
THR A  87
PRO A  88
 None
 0.57A 3tkgD-1xe7A:
undetectable		 3tkgD-1xe7A:
18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xkh FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 ASP A 244
THR A 192
PRO A 193
 None
 0.64A 3tkgD-1xkhA:
undetectable		 3tkgD-1xkhA:
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.
1yln HYPOTHETICAL PROTEIN
VCA0042

(Vibrio cholerae) 		PF07238
(PilZ)
PF12945
(YcgR_2) 		3 ASP A  79
THR A  48
PRO A  49
 None
 0.60A 3tkgD-1ylnA:
undetectable		 3tkgD-1ylnA:
17.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		3 ASP A 134
THR A  37
PRO A  38
 None
 0.67A 3tkgD-1yw6A:
undetectable		 3tkgD-1yw6A:
16.12
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.
2a2o HYPOTHETICAL PROTEIN
BT3146

(Bacteroides
thetaiotaomicron) 		no annotation 3 ASP A  57
THR A 179
PRO A 180
 None
 0.66A 3tkgD-2a2oA:
undetectable		 3tkgD-2a2oA:
17.90
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.
2adv GLUTARYL 7-
AMINOCEPHALOSPORANIC
ACID ACYLASE

(Pseudomonas sp.
SY-77-1) 		PF01804
(Penicil_amidase) 		3 ASP C 420
THR C 450
PRO C 451
 None
 0.50A 3tkgD-2advC:
undetectable		 3tkgD-2advC:
11.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e7z ACETYLENE HYDRATASE
AHY

(Pelobacter
acetylenicus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		3 ASP A  13
THR A  40
PRO A  41
 MGD  A 802 (-3.2A)
MPD  A1004 (-3.4A)
MPD  A1004 ( 4.9A)
 0.51A 3tkgD-2e7zA:
undetectable		 3tkgD-2e7zA:
11.37
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.
2fuq HEPARINASE II
PROTEIN

(Pedobacter
heparinus) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		3 ASP A 480
THR A 657
PRO A 658
 None
None
PO4  A 944 ( 4.9A)
 0.56A 3tkgD-2fuqA:
undetectable		 3tkgD-2fuqA:
9.03
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.
2gdu SUCROSE
PHOSPHORYLASE

(Bifidobacterium
adolescentis) 		PF00128
(Alpha-amylase)
PF09244
(DUF1964) 		3 ASP A 127
THR A 208
PRO A 209
 None
 0.49A 3tkgD-2gduA:
undetectable		 3tkgD-2gduA:
13.55
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.
2ggv NON-STRUCTURAL
PROTEIN 3

(West Nile virus) 		PF00949
(Peptidase_S7) 		3 ASP B  75
THR B 118
PRO B 119
 None
 0.64A 3tkgD-2ggvB:
undetectable		 3tkgD-2ggvB:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kdn PUTATIVE
UNCHARACTERIZED
PROTEIN PFE0790C

(Plasmodium
falciparum) 		PF01722
(BolA) 		3 ASP A  71
THR A  96
PRO A  97
 None
 0.59A 3tkgD-2kdnA:
undetectable		 3tkgD-2kdnA:
21.85
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.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		3 ASP A 413
THR A 393
PRO A 394
 ASP  A 413 (-0.5A)
THR  A 393 ( 0.8A)
PRO  A 394 ( 1.1A)
 0.66A 3tkgD-2nvvA:
undetectable		 3tkgD-2nvvA:
13.03
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.
2o4j VITAMIN D3 RECEPTOR

(Rattus
norvegicus) 		PF00104
(Hormone_recep) 		3 ASP A 149
THR A 411
PRO A 412
 None
 0.66A 3tkgD-2o4jA:
undetectable		 3tkgD-2o4jA:
15.68
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.
2o5p FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug) 		3 ASP A 244
THR A 192
PRO A 193
 None
 0.65A 3tkgD-2o5pA:
undetectable		 3tkgD-2o5pA:
8.29
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.
2odf HYPOTHETICAL PROTEIN
ATU2144

(Agrobacterium
fabrum) 		PF05013
(FGase) 		3 ASP A  50
THR A 157
PRO A 158
 None
 0.38A 3tkgD-2odfA:
undetectable		 3tkgD-2odfA:
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.
2rf7 CYTOCHROME C-552

(Escherichia
coli) 		PF02335
(Cytochrom_C552) 		3 ASP A 411
THR A 257
PRO A 258
 EDO  A  10 (-3.6A)
None
None
 0.63A 3tkgD-2rf7A:
undetectable		 3tkgD-2rf7A:
12.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		3 ASP A  29
THR A  80
PRO A  81
 AB1  A 501 ( 3.3A)
None
AB1  A 501 (-4.2A)
 0.32A 3tkgD-2rkfA:
20.6		 3tkgD-2rkfA:
82.83
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.
2vf8 EXCINUCLEASE ABC
SUBUNIT A

(Deinococcus
radiodurans) 		PF00005
(ABC_tran) 		3 ASP A 688
THR A 619
PRO A 620
 None
 0.53A 3tkgD-2vf8A:
undetectable		 3tkgD-2vf8A:
8.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w9m POLYMERASE X

(Deinococcus
radiodurans) 		PF14520
(HHH_5)
PF14716
(HHH_8) 		3 ASP A 295
THR A 284
PRO A 285
 None
 0.62A 3tkgD-2w9mA:
undetectable		 3tkgD-2w9mA:
9.87
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.
2xhg TYROCIDINE
SYNTHETASE A

(Brevibacillus
brevis) 		PF00668
(Condensation) 		3 ASP A 181
THR A  20
PRO A  21
 None
 0.39A 3tkgD-2xhgA:
undetectable		 3tkgD-2xhgA:
13.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xyd ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		3 ASP A 336
THR A 496
PRO A 497
 None
3ES  A1611 (-3.4A)
CL  A1621 (-4.6A)
 0.61A 3tkgD-2xydA:
undetectable		 3tkgD-2xydA:
10.89
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.
2ze0 ALPHA-GLUCOSIDASE

(Geobacillus sp.
HTA-462) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		3 ASP A 376
THR A 412
PRO A 413
 None
 0.63A 3tkgD-2ze0A:
undetectable		 3tkgD-2ze0A:
12.77
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.
3aw5 MULTICOPPER OXIDASE

(Pyrobaculum
aerophilum) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 ASP A 241
THR A 288
PRO A 289
 None
 0.51A 3tkgD-3aw5A:
undetectable		 3tkgD-3aw5A:
13.64
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.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE

(Trichoderma
reesei) 		PF00026
(Asp) 		3 ASP A  37
THR A  45
PRO A  46
 None
 0.62A 3tkgD-3emyA:
6.5		 3tkgD-3emyA:
15.92
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.
3fw8 RETICULINE OXIDASE

(Eschscholzia
californica) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		3 ASP A 196
THR A 404
PRO A 405
 None
 0.58A 3tkgD-3fw8A:
undetectable		 3tkgD-3fw8A:
13.49
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.
3g1b ATP-DEPENDENT CLP
PROTEASE ADAPTER
PROTEIN CLPS

(Caulobacter
vibrioides) 		PF02617
(ClpS) 		3 ASP A 103
THR A  51
PRO A  52
 None
 0.39A 3tkgD-3g1bA:
undetectable		 3tkgD-3g1bA:
18.69
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.
3hx6 TYPE 4 FIMBRIAL
BIOGENESIS PROTEIN
PILY1

(Pseudomonas
aeruginosa) 		PF05567
(Neisseria_PilC) 		3 ASP A1030
THR A1059
PRO A1060
 None
 0.56A 3tkgD-3hx6A:
undetectable		 3tkgD-3hx6A:
12.08
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.
3ing HOMOSERINE
DEHYDROGENASE

(Thermoplasma
acidophilum) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		3 ASP A  76
THR A  89
PRO A  90
 None
NDP  A 326 (-4.6A)
NDP  A 326 (-4.0A)
 0.56A 3tkgD-3ingA:
undetectable		 3tkgD-3ingA:
17.72
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.
3iuu PUTATIVE
METALLOPEPTIDASE

(Chelativorans
sp. BNC1) 		PF07171
(MlrC_C)
PF07364
(DUF1485) 		3 ASP A 237
THR A 144
PRO A 145
 None
 0.44A 3tkgD-3iuuA:
undetectable		 3tkgD-3iuuA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k9b LIVER
CARBOXYLESTERASE 1

(Homo sapiens) 		PF00135
(COesterase) 		3 ASP A1260
THR A1331
PRO A1332
 None
 0.65A 3tkgD-3k9bA:
undetectable		 3tkgD-3k9bA:
11.39
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.
3kd8 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Thermoplasma
acidophilum) 		PF01676
(Metalloenzyme)
PF10143
(PhosphMutase) 		3 ASP A 351
THR A  24
PRO A  25
 None
 0.61A 3tkgD-3kd8A:
undetectable		 3tkgD-3kd8A:
14.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		3 ASP A  29
THR A  80
PRO A  81
 None
 0.30A 3tkgD-3mwsA:
19.5		 3tkgD-3mwsA:
79.80
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.
3ndn O-SUCCINYLHOMOSERINE
SULFHYDRYLASE

(Mycobacterium
tuberculosis) 		PF01053
(Cys_Met_Meta_PP) 		3 ASP A 354
THR A 199
PRO A 200
 None
 0.55A 3tkgD-3ndnA:
undetectable		 3tkgD-3ndnA:
13.64
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.
3pc8 DNA LIGASE 3

(Homo sapiens) 		PF16759
(LIG3_BRCT) 		3 ASP C 896
THR C 862
PRO C 863
 None
 0.64A 3tkgD-3pc8C:
undetectable		 3tkgD-3pc8C:
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.
3qb5 TRANSLIN-ASSOCIATED
PROTEIN X

(Homo sapiens) 		PF01997
(Translin) 		3 ASP K 112
THR K 183
PRO K 184
 None
 0.50A 3tkgD-3qb5K:
undetectable		 3tkgD-3qb5K:
18.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		3 ASP A  29
THR A  80
PRO A  81
 017  A 201 (-3.5A)
None
None
 0.36A 3tkgD-3t3cA:
18.0		 3tkgD-3t3cA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		3 ASP A  29
THR A  80
PRO A  81
 017  A 201 (-3.3A)
None
017  A 201 (-4.1A)
 0.22A 3tkgD-3ttpA:
19.2		 3tkgD-3ttpA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		3 ASP A  29
THR A  80
PRO A  81
 017  A 201 (-3.2A)
None
017  A 202 (-4.0A)
 0.21A 3tkgD-3u7sA:
19.6		 3tkgD-3u7sA:
76.77
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.
3ubr CYTOCHROME C-552

(Shewanella
oneidensis) 		PF02335
(Cytochrom_C552) 		3 ASP A 404
THR A 250
PRO A 251
 None
 0.59A 3tkgD-3ubrA:
undetectable		 3tkgD-3ubrA:
13.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		3 ASP A  29
THR A  80
PRO A  81
 None
 0.55A 3tkgD-3uhlA:
16.2		 3tkgD-3uhlA:
80.81
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.
3ulx STRESS-INDUCED
TRANSCRIPTION FACTOR
NAC1

(Oryza sativa) 		PF02365
(NAM) 		3 ASP A  55
THR A  74
PRO A  75
 None
 0.65A 3tkgD-3ulxA:
undetectable		 3tkgD-3ulxA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ulx STRESS-INDUCED
TRANSCRIPTION FACTOR
NAC1

(Oryza sativa) 		PF02365
(NAM) 		3 ASP A  58
THR A  74
PRO A  75
 None
 0.60A 3tkgD-3ulxA:
undetectable		 3tkgD-3ulxA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3up3 ACEDAF-12

(Ancylostoma
ceylanicum) 		PF00104
(Hormone_recep) 		3 ASP A 493
THR A 546
PRO A 547
 None
XCA  A 100 (-3.7A)
XCA  A 100 (-4.8A)
 0.63A 3tkgD-3up3A:
undetectable		 3tkgD-3up3A:
20.42
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.
3wgp VITAMIN D3 RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		3 ASP A 149
THR A 415
PRO A 416
 None
 0.66A 3tkgD-3wgpA:
undetectable		 3tkgD-3wgpA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wo0 ALANINE-ANTICAPSIN
LIGASE BACD

(Bacillus
subtilis) 		PF13535
(ATP-grasp_4) 		3 ASP A 450
THR A 266
PRO A 267
 None
 0.51A 3tkgD-3wo0A:
undetectable		 3tkgD-3wo0A:
13.67
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.
3zk4 DIPHOSPHONUCLEOTIDE
PHOSPHATASE 1

(Lupinus luteus) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		3 ASP A 159
THR A 190
PRO A 191
 None
 0.54A 3tkgD-3zk4A:
undetectable		 3tkgD-3zk4A:
13.77
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.
4ags THIOL-DEPENDENT
REDUCTASE 1

(Leishmania
infantum) 		PF13417
(GST_N_3)
PF16865
(GST_C_5) 		3 ASP A 302
THR A 285
PRO A 286
 None
 0.67A 3tkgD-4agsA:
undetectable		 3tkgD-4agsA:
12.87
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.
4b2o YMDB
PHOSPHODIESTERASE

(Bacillus
subtilis) 		PF13277
(YmdB) 		3 ASP A  61
THR A 142
PRO A 143
 None
 0.64A 3tkgD-4b2oA:
undetectable		 3tkgD-4b2oA:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fqz GALECTIN-8

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		3 ASP A  44
THR A  95
PRO A  96
 None
 0.61A 3tkgD-4fqzA:
undetectable		 3tkgD-4fqzA:
16.19
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.
4kam O-ACETYLHOMOSERINE
SULFHYDRYLASE METC

(Mycobacterium
marinum) 		PF01053
(Cys_Met_Meta_PP) 		3 ASP A 382
THR A 200
PRO A 201
 None
 0.61A 3tkgD-4kamA:
undetectable		 3tkgD-4kamA:
11.74
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.
4muo UNCHARACTERIZED
PROTEIN YBIB

(Escherichia
coli) 		PF02885
(Glycos_trans_3N) 		3 ASP A 246
THR A 189
PRO A 190
 None
 0.64A 3tkgD-4muoA:
undetectable		 3tkgD-4muoA:
22.03
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.
4n5f PUTATIVE ACYL-COA
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		3 ASP A 222
THR A 190
PRO A 191
 None
 0.55A 3tkgD-4n5fA:
undetectable		 3tkgD-4n5fA:
13.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		3 ASP A  29
THR A  80
PRO A  81
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.9A)
 0.20A 3tkgD-4njvA:
20.5		 3tkgD-4njvA:
84.85
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.
4oaw HEAVY CHAIN OF FAB
FRAGMENT OF
ANTI-HIV1 GP120 V2
MAB 2158

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		3 ASP B  98
THR B  52
PRO B  52
 None
 0.66A 3tkgD-4oawB:
undetectable		 3tkgD-4oawB:
17.33
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.
4pwo DSBA

(Corynebacterium
diphtheriae) 		PF13462
(Thioredoxin_4) 		3 ASP A 105
THR A 283
PRO A 284
 None
 0.42A 3tkgD-4pwoA:
undetectable		 3tkgD-4pwoA:
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.
4raa PUTATIVE EXPORTED
PROTEIN

(Bacteroides
fragilis) 		PF17170
(DUF5128) 		3 ASP A 177
THR A 221
PRO A 222
 None
 0.62A 3tkgD-4raaA:
undetectable		 3tkgD-4raaA:
14.16
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.
4u4p STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
4

(Homo sapiens) 		PF06470
(SMC_hinge) 		3 ASP B 722
THR B 690
PRO B 691
 None
 0.63A 3tkgD-4u4pB:
undetectable		 3tkgD-4u4pB:
16.60
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.
4z5q CYTOCHROME P450
HYDROXYLASE

(Streptomyces
atroolivaceus) 		PF00067
(p450) 		3 ASP A 220
THR A 109
PRO A 110
 None
 0.67A 3tkgD-4z5qA:
undetectable		 3tkgD-4z5qA:
14.74
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.
4zg5 5'-NUCLEOTIDASE SURE

(Brucella
abortus) 		no annotation 3 ASP D 217
THR D 232
PRO D 233
 None
 0.62A 3tkgD-4zg5D:
undetectable		 3tkgD-4zg5D:
17.79
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.
5a0t RIBONUCLEASE J

(Streptomyces
coelicolor) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		3 ASP A  76
THR A 163
PRO A 164
 None
 0.62A 3tkgD-5a0tA:
undetectable		 3tkgD-5a0tA:
9.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		3 ASP A  29
THR A  80
PRO A  81
 None
 0.65A 3tkgD-5b18A:
17.9		 3tkgD-5b18A:
73.74
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.
5b4w PLEXIN-B1

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI) 		3 ASP A 373
THR A 382
PRO A 383
 None
 0.65A 3tkgD-5b4wA:
undetectable		 3tkgD-5b4wA:
10.45
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.
5brq GLYCOSIDE HYDROLASE
FAMILY 13

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		3 ASP A 378
THR A 419
PRO A 420
 None
 0.46A 3tkgD-5brqA:
undetectable		 3tkgD-5brqA:
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.
5brq GLYCOSIDE HYDROLASE
FAMILY 13

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		3 ASP A 379
THR A 419
PRO A 420
 None
 0.56A 3tkgD-5brqA:
undetectable		 3tkgD-5brqA:
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.
5c6d UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7

(Homo sapiens) 		PF12436
(USP7_ICP0_bdg) 		3 ASP A 722
THR A 707
PRO A 708
 ASP  A 722 ( 0.6A)
THR  A 707 ( 0.8A)
PRO  A 708 ( 1.1A)
 0.67A 3tkgD-5c6dA:
undetectable		 3tkgD-5c6dA:
16.88
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.
5gkq ALYGC MUTANT - R241A

(Paraglaciecola
chathamensis) 		PF14592
(Chondroitinas_B) 		3 ASP A 617
THR A 703
PRO A 704
 None
 0.49A 3tkgD-5gkqA:
undetectable		 3tkgD-5gkqA:
8.55
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.
5hab RIBONUCLEASE J

(Methanolobus
psychrophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		3 ASP A 188
THR A 105
PRO A 106
 None
 0.41A 3tkgD-5habA:
undetectable		 3tkgD-5habA:
12.28
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.
5ic7 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		no annotation 3 ASP A 262
THR A 585
PRO A 586
 None
SO4  A 701 (-2.6A)
SO4  A 706 (-4.4A)
 0.54A 3tkgD-5ic7A:
undetectable		 3tkgD-5ic7A:
15.87
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.
5idk GENOME
POLYPROTEIN,SERINE
PROTEASE SUBUNIT
NS2B, SERINE
PROTEASE NS3

(West Nile virus) 		PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B) 		3 ASP A1075
THR A1118
PRO A1119
 6A8  A1201 ( 4.2A)
None
None
 0.66A 3tkgD-5idkA:
undetectable		 3tkgD-5idkA:
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.
5isx GRAMICIDIN S
SYNTHASE 1

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		3 ASP A 788
THR A 627
PRO A 628
 None
 0.48A 3tkgD-5isxA:
undetectable		 3tkgD-5isxA:
11.30
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.
5ix8 PUTATIVE SUGAR ABC
TRANSPORT SYSTEM,
SUBSTRATE-BINDING
PROTEIN

(Bordetella
parapertussis) 		PF13407
(Peripla_BP_4) 		3 ASP A 232
THR A 245
PRO A 246
 None
 0.65A 3tkgD-5ix8A:
undetectable		 3tkgD-5ix8A:
15.58
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.
5m6p TYROCIDINE SYNTHASE
2

(Brevibacillus
parabrevis) 		no annotation 3 ASP A3290
THR A3129
PRO A3130
 None
 0.36A 3tkgD-5m6pA:
undetectable		 3tkgD-5m6pA:
17.35
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.
5med ARACHIDONATE
15-LIPOXYGENASE

(Cyanothece sp.
PCC 8801) 		PF00305
(Lipoxygenase) 		3 ASP A 136
THR A 230
PRO A 231
 None
 0.55A 3tkgD-5medA:
undetectable		 3tkgD-5medA:
12.74
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.
5mh5 D-2-HYDROXYACID
DEHYDROGENASE

(Haloferax
mediterranei) 		no annotation 3 ASP A 181
THR A 197
PRO A 198
 None
NAP  A 414 (-4.4A)
NAP  A 414 (-3.4A)
 0.60A 3tkgD-5mh5A:
undetectable		 3tkgD-5mh5A:
16.35
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.
5or7 CAPSID PROTEIN

(Norwalk virus) 		no annotation 3 ASP A 450
THR A 279
PRO A 280
 None
 0.67A 3tkgD-5or7A:
undetectable		 3tkgD-5or7A:
21.36
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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 3 ASP A 498
THR A 639
PRO A 640
 None
 0.65A 3tkgD-5ot1A:
undetectable		 3tkgD-5ot1A:
16.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		3 ASP A  29
THR A  80
PRO A  81
 None
 0.16A 3tkgD-5t2zA:
19.8		 3tkgD-5t2zA:
80.81
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.
5tj3 ALKALINE PHOSPHATASE
PAFA

(Elizabethkingia
meningoseptica) 		PF01663
(Phosphodiest) 		3 ASP A 253
THR A 268
PRO A 269
 None
 0.59A 3tkgD-5tj3A:
undetectable		 3tkgD-5tj3A:
10.79
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.
5tr8 441D6 FAB HEAVY
CHAIN

(Mus musculus) 		no annotation 3 ASP H  61
THR H  40
PRO H  41
 None
 0.61A 3tkgD-5tr8H:
undetectable		 3tkgD-5tr8H:
19.23
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.
5u2a AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Brucella canis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 ASP A 429
THR A 534
PRO A 535
 None
 0.65A 3tkgD-5u2aA:
undetectable		 3tkgD-5u2aA:
12.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u30 CRISPR-ASSOCIATED
ENDONUCLEASE C2C1

(Alicyclobacillus
acidoterrestris) 		no annotation 3 ASP A 736
THR A 685
PRO A 686
 None
 0.54A 3tkgD-5u30A:
undetectable		 3tkgD-5u30A:
6.03
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.
5uzb TOLL/INTERLEUKIN-1
RECEPTOR
DOMAIN-CONTAINING
ADAPTER PROTEIN

(Homo sapiens) 		PF13676
(TIR_2) 		3 ASP A 102
THR A 148
PRO A 149
 None
 0.61A 3tkgD-5uzbA:
undetectable		 3tkgD-5uzbA:
18.54
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.
5wth POLYPROTEIN

(Hepatovirus A) 		PF12944
(HAV_VP) 		3 ASP A 180
THR A 160
PRO A 161
 None
 0.61A 3tkgD-5wthA:
undetectable		 3tkgD-5wthA:
16.79
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.
5wy0 SMALL RNA
2'-O-METHYLTRANSFERA
SE

(Homo sapiens) 		no annotation 3 ASP A 111
THR A 132
PRO A 133
 None
 0.51A 3tkgD-5wy0A:
undetectable		 3tkgD-5wy0A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xbl CRISPR-ASSOCIATED
ENDONUCLEASE
CAS9/CSN1

(Streptococcus
pyogenes) 		PF13395
(HNH_4)
PF16592
(Cas9_REC)
PF16593
(Cas9-BH)
PF16595
(Cas9_PI) 		3 ASP A 269
THR A 249
PRO A 250
 G  B  19 ( 4.9A)
None
None
 0.59A 3tkgD-5xblA:
undetectable		 3tkgD-5xblA:
6.11
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S) 		3 ASP A  69
THR A  58
PRO A  59
 None
 0.38A 3tkgD-5xfaA:
undetectable		 3tkgD-5xfaA:
13.92
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.
6b6h DNA-DIRECTED RNA
POLYMERASE SUBUNIT
ALPHA

(Escherichia
coli) 		no annotation 3 ASP I 280
THR I 292
PRO I 293
 None
 0.67A 3tkgD-6b6hI:
undetectable		 3tkgD-6b6hI:
24.76
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.
6blb HOLLIDAY JUNCTION
ATP-DEPENDENT DNA
HELICASE RUVB

(Pseudomonas
aeruginosa) 		no annotation 3 ASP A 300
THR A 220
PRO A 221
 None
None
ADP  A 401 (-4.4A)
 0.66A 3tkgD-6blbA:
undetectable		 3tkgD-6blbA:
15.62
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.
6c66 CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Thermobifida
fusca) 		no annotation 3 ASP A 347
THR A 395
PRO A 396
 None
 0.54A 3tkgD-6c66A:
undetectable		 3tkgD-6c66A:
21.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		3 ASP A  29
THR A  80
PRO A  81
 None
 0.53A 3tkgD-6upjA:
18.0		 3tkgD-6upjA:
49.49