SIMILAR PATTERNS OF AMINO ACIDS FOR 3TL9_A_ROCA401

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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 LEU E  30
ASP E  32
GLY E  34
ASP E  37
ILE E 120
 None
 0.52A 3tl9A-1cziE:
6.4		 3tl9A-1cziE:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f3l PROTEIN ARGININE
METHYLTRANSFERASE
PRMT3

(Rattus
norvegicus) 		PF06325
(PrmA) 		6 LEU A 287
ASP A 282
GLY A 260
ILE A 226
ILE A 265
ILE A 286
 None
SAH  A 529 (-2.7A)
SAH  A 529 (-3.1A)
None
SAH  A 529 (-4.9A)
None
 1.31A 3tl9A-1f3lA:
undetectable		 3tl9A-1f3lA:
14.97
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) 		8 ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 (-3.6A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.94A 3tl9A-1hvcA:
14.0		 3tl9A-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) 		8 LEU A  23
ALA A  28
ASP A  29
ASP A  30
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.97A 3tl9A-1hvcA:
14.0		 3tl9A-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) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 1.27A 3tl9A-1hvcA:
14.0		 3tl9A-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) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
 1.28A 3tl9A-1hvcA:
14.0		 3tl9A-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) 		12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.44A 3tl9A-1hvcA:
14.0		 3tl9A-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) 		12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.40A 3tl9A-1hvcA:
14.0		 3tl9A-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.
1jfl ASPARTATE RACEMASE

(Pyrococcus
horikoshii) 		PF01177
(Asp_Glu_race) 		6 ALA A  67
ILE A  98
GLY A   5
ILE A   6
VAL A  89
ILE A  92
 None
 1.42A 3tl9A-1jflA:
undetectable		 3tl9A-1jflA:
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 GLY A 721
ALA A 720
GLY A 715
ILE A 714
ILE A 707
 None
 0.86A 3tl9A-1l5jA:
undetectable		 3tl9A-1l5jA:
8.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1llu ALCOHOL
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  42
ILE A  64
GLY A 119
VAL A  36
ILE A  38
 None
 0.83A 3tl9A-1lluA:
undetectable		 3tl9A-1lluA:
16.03
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.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		5 LEU A  30
ASP A  32
GLY A  34
ASP A  37
ILE A 120
 None
 0.71A 3tl9A-1mppA:
6.9		 3tl9A-1mppA:
14.53
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.
1p4a PUR OPERON REPRESSOR

(Bacillus
subtilis) 		PF00156
(Pribosyltran)
PF09182
(PuR_N) 		6 LEU A 152
GLY A 228
ALA A 227
PRO A 155
VAL A 154
ILE A 131
 None
 1.48A 3tl9A-1p4aA:
undetectable		 3tl9A-1p4aA:
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.
1pix GLUTACONYL-COA
DECARBOXYLASE A
SUBUNIT

(Acidaminococcus
fermentans) 		PF01039
(Carboxyl_trans) 		5 LEU A 146
GLY A 189
ALA A 211
GLY A 252
ILE A 187
 None
 0.84A 3tl9A-1pixA:
undetectable		 3tl9A-1pixA:
11.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 None
 0.81A 3tl9A-1q9pA:
10.1		 3tl9A-1q9pA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r6v SUBTILISIN-LIKE
SERINE PROTEASE

(Fervidobacterium
pennivorans) 		PF00082
(Peptidase_S8) 		6 LEU A  43
ASP A 255
GLY A 253
GLY A 260
ILE A 261
VAL A  72
 None
 1.35A 3tl9A-1r6vA:
undetectable		 3tl9A-1r6vA:
11.51
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.
1s1d APYRASE

(Homo sapiens) 		PF06079
(Apyrase) 		5 GLY A 157
ALA A 144
ASP A 112
ILE A 101
VAL A 129
 None
None
GP2  A4001 (-4.2A)
TRS  A5001 ( 4.9A)
None
 0.85A 3tl9A-1s1dA:
undetectable		 3tl9A-1s1dA:
12.12
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) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 None
 0.90A 3tl9A-1sivA:
18.5		 3tl9A-1sivA:
51.96
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) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.28A 3tl9A-1sivA:
18.5		 3tl9A-1sivA:
51.96
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) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.41A 3tl9A-1sivA:
18.5		 3tl9A-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.
1tcs TRICHOSANTHIN

(Trichosanthes
kirilowii) 		PF00161
(RIP) 		6 LEU A 215
GLY A 231
ALA A 230
ASP A 229
VAL A 213
ILE A 225
 None
 1.29A 3tl9A-1tcsA:
undetectable		 3tl9A-1tcsA:
17.84
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.
1tlg POLYANDROCARPA
LECTIN

(Polyandrocarpa
misakiensis) 		PF00059
(Lectin_C) 		5 LEU A  81
GLY A  56
ALA A  57
ASP A  58
GLY A  72
 None
 0.85A 3tl9A-1tlgA:
undetectable		 3tl9A-1tlgA:
17.61
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.
1to3 PUTATIVE ALDOLASE
YIHT

(Salmonella
enterica) 		PF01791
(DeoC) 		6 LEU A 184
GLY A 188
ALA A 189
ASP A 190
VAL A 127
ILE A 158
 None
 0.90A 3tl9A-1to3A:
undetectable		 3tl9A-1to3A:
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.
1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE

(Escherichia
coli) 		PF12697
(Abhydrolase_6) 		5 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.83A 3tl9A-1u2eA:
undetectable		 3tl9A-1u2eA:
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.
1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		6 LEU A  67
GLY A  93
ALA A  70
GLY A  17
PRO A  31
VAL A   8
 None
 1.23A 3tl9A-1uagA:
undetectable		 3tl9A-1uagA:
12.80
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.
1vrg PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT

(Thermotoga
maritima) 		PF01039
(Carboxyl_trans) 		5 GLY A 416
ALA A 417
ASP A 418
ILE A 346
VAL A 360
 None
 0.86A 3tl9A-1vrgA:
undetectable		 3tl9A-1vrgA:
12.95
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.
1wac P2 PROTEIN

(Pseudomonas
virus phi6) 		PF00680
(RdRP_1) 		6 LEU A 252
GLY A  35
ALA A  36
PRO A 261
VAL A 260
ILE A 258
 None
 1.25A 3tl9A-1wacA:
undetectable		 3tl9A-1wacA:
11.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01039
(Carboxyl_trans) 		5 GLY A 424
ALA A 425
ASP A 426
ILE A 354
VAL A 368
 None
 0.81A 3tl9A-1x0uA:
undetectable		 3tl9A-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.
1ywf PHOSPHOTYROSINE
PROTEIN PHOSPHATASE
PTPB

(Mycobacterium
tuberculosis) 		PF13350
(Y_phosphatase3) 		6 GLY A 261
ALA A 260
ASP A 259
ILE A 246
GLY A 254
VAL A 174
 None
 1.24A 3tl9A-1ywfA:
undetectable		 3tl9A-1ywfA:
12.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		5 ASP A  32
GLY A  34
ASP A  37
GLY A  83
ILE A 123
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
None
A70  A 500 (-4.8A)
 0.84A 3tl9A-1zapA:
7.7		 3tl9A-1zapA:
17.43
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.
2a00 POTASSIUM-TRANSPORTI
NG ATPASE B CHAIN

(Escherichia
coli) 		no annotation 5 LEU A 431
ALA A 337
ASP A 335
ILE A 354
ILE A 443
 ANP  A1001 (-4.0A)
None
None
None
None
 0.87A 3tl9A-2a00A:
undetectable		 3tl9A-2a00A:
21.83
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.
2a2f EXOCYST COMPLEX
COMPONENT SEC15

(Drosophila
melanogaster) 		PF04091
(Sec15) 		6 LEU X 239
ALA X 185
ASP X 184
GLY X 190
ILE X 193
ILE X 242
 None
 1.45A 3tl9A-2a2fX:
undetectable		 3tl9A-2a2fX:
14.98
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.
2bc0 NADH OXIDASE

(Streptococcus
pyogenes) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 453
ALA A 454
ASP A 456
ILE A 387
ILE A 426
 None
 0.80A 3tl9A-2bc0A:
undetectable		 3tl9A-2bc0A:
13.26
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.
2bii NITRATE REDUCTASE
[NADPH]

(Ogataea angusta) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 LEU A 256
GLY A 178
ALA A 180
VAL A 107
ILE A 109
 None
 0.82A 3tl9A-2biiA:
undetectable		 3tl9A-2biiA:
14.81
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.
2byg CHANNEL ASSOCIATED
PROTEIN OF
SYNAPSE-110

(Homo sapiens) 		PF00595
(PDZ) 		6 GLY A 231
ALA A 233
ASP A 236
ILE A 194
VAL A 241
ILE A 227
 None
 1.50A 3tl9A-2bygA:
undetectable		 3tl9A-2bygA:
19.84
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.
2cun PHOSPHOGLYCERATE
KINASE

(Pyrococcus
horikoshii) 		PF00162
(PGK) 		5 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.86A 3tl9A-2cunA:
undetectable		 3tl9A-2cunA:
16.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  54
PRO A  86
VAL A  87
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 1.02A 3tl9A-2fmbA:
15.1		 3tl9A-2fmbA:
32.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  53
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.53A 3tl9A-2fmbA:
15.1		 3tl9A-2fmbA:
32.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g1s RENIN

(Homo sapiens) 		PF00026
(Asp) 		5 LEU A 219
ASP A 221
GLY A 223
ALA A 224
PRO A 301
 None
4IG  A 885 (-2.6A)
4IG  A 885 (-3.9A)
4IG  A 885 ( 4.7A)
None
 0.69A 3tl9A-2g1sA:
7.8		 3tl9A-2g1sA:
14.41
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 GLY A 115
ILE A 102
GLY A  66
ILE A  65
PRO A 528
 None
 0.78A 3tl9A-2g3nA:
undetectable		 3tl9A-2g3nA:
8.77
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.
2hmf PROBABLE
ASPARTOKINASE

(Methanocaldococcus
jannaschii) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		6 GLY A 139
ALA A 140
ASP A 143
ILE A  97
VAL A  12
ILE A  18
 None
 1.43A 3tl9A-2hmfA:
undetectable		 3tl9A-2hmfA:
12.66
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.
2ilu ALDEHYDE
DEHYDROGENASE A

(Escherichia
coli) 		PF00171
(Aldedh) 		6 ALA A  46
ASP A  45
ILE A  11
ILE A 175
VAL A 145
ILE A  50
 None
 1.40A 3tl9A-2iluA:
undetectable		 3tl9A-2iluA:
13.57
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.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 GLY A 190
ALA A 189
GLY A 183
ILE A 180
PRO A 296
 None
None
PLP  A 400 (-3.4A)
PLP  A 400 (-4.9A)
PLP  A 400 (-4.0A)
 0.74A 3tl9A-2isqA:
undetectable		 3tl9A-2isqA:
15.41
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.
2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Thermotoga
maritima) 		PF01680
(SOR_SNZ) 		5 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.87A 3tl9A-2issA:
undetectable		 3tl9A-2issA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nr7 SECRETION ACTIVATOR
PROTEIN, PUTATIVE

(Porphyromonas
gingivalis) 		PF05838
(Glyco_hydro_108)
PF09374
(PG_binding_3) 		5 LEU A 134
GLY A 102
ILE A 103
VAL A  87
ILE A 138
 None
 0.84A 3tl9A-2nr7A:
undetectable		 3tl9A-2nr7A:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE

(Arabidopsis
thaliana) 		PF01487
(DHquinase_I)
PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 GLY A 236
ALA A 237
ASP A 238
ILE A 210
ILE A 232
 None
 0.80A 3tl9A-2o7qA:
undetectable		 3tl9A-2o7qA:
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.
2odl ADHESIN

(Haemophilus
influenzae) 		PF05860
(Haemagg_act) 		6 GLY A 270
ALA A 288
ASP A 289
GLY A 323
VAL A 300
ILE A 299
 None
 1.45A 3tl9A-2odlA:
undetectable		 3tl9A-2odlA:
15.28
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.
2p50 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		6 LEU A 184
ALA A 163
ASP A 164
GLY A 127
VAL A 191
ILE A 189
 None
 1.22A 3tl9A-2p50A:
undetectable		 3tl9A-2p50A:
14.84
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.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		6 LEU A 283
GLY A  63
ALA A  62
GLY A  57
VAL A 279
ILE A 280
 None
 0.92A 3tl9A-2ri6A:
undetectable		 3tl9A-2ri6A:
17.75
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) 		6 ALA A  28
ASP A  29
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.94A 3tl9A-2rkfA:
20.8		 3tl9A-2rkfA:
82.83
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) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
 1.34A 3tl9A-2rkfA:
20.8		 3tl9A-2rkfA:
82.83
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) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.51A 3tl9A-2rkfA:
20.8		 3tl9A-2rkfA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		6 LEU A  35
ASP A  37
GLY A  39
ALA A  40
ASP A  41
ILE A 108
 None
 0.45A 3tl9A-2rspA:
12.8		 3tl9A-2rspA:
31.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2va8 SKI2-TYPE HELICASE

(Sulfolobus
solfataricus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ALA A 233
ASP A 232
GLY A 355
ILE A 354
VAL A 404
 None
 0.88A 3tl9A-2va8A:
undetectable		 3tl9A-2va8A:
10.14
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		6 LEU A1286
GLY A1273
ALA A1272
ASP A1291
ILE A1322
GLY A1324
 None
 1.49A 3tl9A-2vdcA:
undetectable		 3tl9A-2vdcA:
7.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wl7 DISKS LARGE HOMOLOG
2

(Mus musculus) 		PF00595
(PDZ) 		6 GLY A 138
ALA A 140
ASP A 143
ILE A 101
VAL A 148
ILE A 134
 None
None
None
None
SO4  A1191 (-3.9A)
None
 1.46A 3tl9A-2wl7A:
undetectable		 3tl9A-2wl7A:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 LEU A 188
GLY A 255
ALA A 254
ILE A 248
ILE A 185
 None
 0.85A 3tl9A-2wskA:
undetectable		 3tl9A-2wskA:
8.70
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.
2xt0 HALOALKANE
DEHALOGENASE

(Plesiocystis
pacifica) 		PF00561
(Abhydrolase_1) 		6 LEU A 252
ASP A 123
GLY A  54
ILE A 183
PRO A 250
VAL A 251
 None
 1.48A 3tl9A-2xt0A:
undetectable		 3tl9A-2xt0A:
18.83
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.
2y23 MYOMESIN

(Homo sapiens) 		PF07679
(I-set) 		5 ASP A1401
GLY A1409
ILE A1410
VAL A1428
ILE A1389
 None
 0.84A 3tl9A-2y23A:
undetectable		 3tl9A-2y23A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aqc COMPONENT B OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE

(Micrococcus
luteus) 		PF00348
(polyprenyl_synt) 		5 ASP B 211
ASP B 212
ILE B 167
GLY B 204
ILE B 203
 MG  B 328 (-3.1A)
None
None
None
None
 0.87A 3tl9A-3aqcB:
undetectable		 3tl9A-3aqcB:
18.36
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.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 GLY A 327
ALA A 329
GLY A 274
ILE A 271
VAL A 693
 None
 0.83A 3tl9A-3aqpA:
undetectable		 3tl9A-3aqpA:
10.43
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.
3b46 AMINOTRANSFERASE
BNA3

(Saccharomyces
cerevisiae) 		PF00155
(Aminotran_1_2) 		5 LEU A 264
GLY A 260
ALA A 253
ILE A 108
VAL A 283
 None
 0.86A 3tl9A-3b46A:
undetectable		 3tl9A-3b46A:
13.30
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.
3d5t MALATE DEHYDROGENASE

(Burkholderia
pseudomallei) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 LEU A 165
ALA A 199
GLY A 203
PRO A 175
VAL A 176
ILE A 179
 None
 1.47A 3tl9A-3d5tA:
undetectable		 3tl9A-3d5tA:
15.20
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.
3dfy MUCONATE
CYCLOISOMERASE

(Thermotoga
maritima) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 188
GLY A 291
ILE A 290
VAL A 157
ILE A 186
 MG  A 401 (-2.7A)
None
None
None
None
 0.85A 3tl9A-3dfyA:
undetectable		 3tl9A-3dfyA:
16.61
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.
3ecd SERINE
HYDROXYMETHYLTRANSFE
RASE 2

(Burkholderia
pseudomallei) 		PF00464
(SHMT) 		6 LEU A 295
GLY A 216
ALA A 215
PRO A 370
VAL A 294
ILE A 291
 None
 1.24A 3tl9A-3ecdA:
undetectable		 3tl9A-3ecdA:
14.88
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.
3eg4 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-SUCCINYLTRANSFERAS
E

(Brucella suis) 		PF00132
(Hexapep)
PF14602
(Hexapep_2)
PF14805
(THDPS_N_2) 		6 LEU A 130
GLY A 144
ALA A 145
ILE A 185
VAL A 135
ILE A 147
 None
 1.22A 3tl9A-3eg4A:
undetectable		 3tl9A-3eg4A:
17.43
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.
3er6 PUTATIVE
TRANSCRIPTIONAL
REGULATOR PROTEIN

(Vibrio
parahaemolyticus) 		PF01965
(DJ-1_PfpI) 		5 GLY A 125
ALA A 124
ILE A  93
ILE A 118
ILE A 101
 None
 0.87A 3tl9A-3er6A:
undetectable		 3tl9A-3er6A:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fbs OXIDOREDUCTASE

(Agrobacterium
fabrum) 		PF07992
(Pyr_redox_2) 		5 GLY A 284
ALA A  17
ILE A  66
GLY A  22
ILE A   7
 None
 0.85A 3tl9A-3fbsA:
undetectable		 3tl9A-3fbsA:
20.80
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.
3fpc NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Entamoeba
histolytica;
Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 211
ALA A 212
ASP A 214
GLY A 192
VAL A 240
 None
 0.85A 3tl9A-3fpcA:
undetectable		 3tl9A-3fpcA:
14.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Brucella
melitensis) 		PF00793
(DAHP_synth_1) 		5 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.87A 3tl9A-3fs2A:
undetectable		 3tl9A-3fs2A:
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.
3gf7 GLUTACONYL-COA
DECARBOXYLASE
SUBUNIT A

([Clostridium]
symbiosum) 		PF01039
(Carboxyl_trans) 		5 LEU A 148
GLY A 191
ALA A 213
GLY A 256
ILE A 189
 None
 0.81A 3tl9A-3gf7A:
undetectable		 3tl9A-3gf7A:
10.77
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.
3gh8 IODOTYROSINE
DEHALOGENASE 1

(Mus musculus) 		PF00881
(Nitroreductase) 		5 LEU A 256
GLY A 218
ILE A 116
GLY A 120
ILE A 190
 None
 0.82A 3tl9A-3gh8A:
undetectable		 3tl9A-3gh8A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		5 GLY A 121
ALA A 122
ASP A 123
ILE A  89
ILE A 126
 None
 0.74A 3tl9A-3gveA:
undetectable		 3tl9A-3gveA:
14.41
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.
3hh1 TETRAPYRROLE
METHYLASE FAMILY
PROTEIN

(Chlorobaculum
tepidum) 		PF00590
(TP_methylase) 		5 LEU A  79
GLY A 111
ALA A 110
VAL A  75
ILE A  76
 None
 0.85A 3tl9A-3hh1A:
undetectable		 3tl9A-3hh1A:
24.22
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.
3hhd FATTY ACID SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		6 LEU A 567
ALA A 590
ASP A 591
GLY A 579
ILE A 495
ILE A 564
 None
 1.41A 3tl9A-3hhdA:
undetectable		 3tl9A-3hhdA:
8.00
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		6 GLY A 264
ALA A 265
ASP A 266
GLY A 460
ILE A 459
ILE A 224
 None
 1.01A 3tl9A-3i5gA:
undetectable		 3tl9A-3i5gA:
8.17
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.
3iay DNA POLYMERASE DELTA
CATALYTIC SUBUNIT

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASP A 976
GLY A 975
ALA A 971
ILE A 811
GLY A 598
 None
 0.80A 3tl9A-3iayA:
undetectable		 3tl9A-3iayA:
10.58
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.
3it4 ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ ALPHA CHAIN

(Mycobacterium
tuberculosis) 		PF01960
(ArgJ) 		6 LEU A  66
GLY A  92
ASP A  98
GLY A 131
ILE A 130
VAL A  65
 None
 1.45A 3tl9A-3it4A:
undetectable		 3tl9A-3it4A:
16.26
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.
3j7a 40S RIBOSOMAL
PROTEIN ES6

(Plasmodium
falciparum) 		PF01092
(Ribosomal_S6e) 		5 LEU H 111
GLY H  55
ILE H 101
GLY H 103
ILE H  52
 None
G  A 160 ( 3.9A)
None
None
None
 0.78A 3tl9A-3j7aH:
undetectable		 3tl9A-3j7aH:
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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 211
GLY A 216
ALA A 217
ASP A 218
ILE A 190
 None
 0.72A 3tl9A-3jv7A:
undetectable		 3tl9A-3jv7A:
17.87
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.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		5 LEU A 156
GLY A 153
ASP A 120
ILE A  77
ILE A 130
 None
 0.85A 3tl9A-3kl7A:
undetectable		 3tl9A-3kl7A:
19.12
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.
3mdo PUTATIVE
PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Parabacteroides
distasonis) 		PF02769
(AIRS_C) 		6 LEU A 251
GLY A 256
ALA A 255
ASP A 246
ILE A 319
ILE A 248
 None
 1.06A 3tl9A-3mdoA:
undetectable		 3tl9A-3mdoA:
14.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3meq ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Brucella suis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  40
ILE A  62
GLY A 117
VAL A  34
ILE A  36
 None
 0.86A 3tl9A-3meqA:
undetectable		 3tl9A-3meqA:
16.43
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.
3mwc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Kosmotoga
olearia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 GLY A 310
ALA A 336
ASP A 337
PRO A 364
VAL A 363
ILE A 149
 None
 1.14A 3tl9A-3mwcA:
undetectable		 3tl9A-3mwcA:
16.33
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) 		7 ALA A  28
ASP A  29
ASP A  30
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 None
 0.95A 3tl9A-3mwsA:
19.8		 3tl9A-3mwsA:
79.80
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) 		6 ALA A  28
ASP A  30
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 None
 1.41A 3tl9A-3mwsA:
19.8		 3tl9A-3mwsA:
79.80
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) 		7 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
 1.47A 3tl9A-3mwsA:
19.8		 3tl9A-3mwsA:
79.80
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) 		7 LEU A  23
ASP A  25
ALA A  28
ASP A  30
PRO A  81
VAL A  82
ILE A  84
 None
 1.33A 3tl9A-3mwsA:
19.8		 3tl9A-3mwsA:
79.80
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) 		11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.65A 3tl9A-3mwsA:
19.8		 3tl9A-3mwsA:
79.80
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) 		11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.42A 3tl9A-3mwsA:
19.8		 3tl9A-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.
3oad RENIN

(Homo sapiens) 		PF00026
(Asp) 		5 LEU B 224
ASP B 226
GLY B 228
ALA B 229
PRO B 306
 None
 0.80A 3tl9A-3oadB:
4.9		 3tl9A-3oadB:
24.12
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.86A 3tl9A-3opyA:
undetectable		 3tl9A-3opyA:
8.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pzr ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Vibrio cholerae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		6 LEU A 351
ALA A  96
ASP A  95
ILE A  69
GLY A   7
VAL A  15
 None
None
None
None
NAP  A 372 (-3.1A)
None
 1.15A 3tl9A-3pzrA:
undetectable		 3tl9A-3pzrA:
16.48
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.
3s2g ZINC-CONTAINING
ALCOHOL
DEHYDROGENASE
SUPERFAMILY

(Cupriavidus
pinatubonensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  40
ILE A  62
GLY A 117
VAL A  34
ILE A  36
 None
 0.85A 3tl9A-3s2gA:
undetectable		 3tl9A-3s2gA:
21.17
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
GLY A  56
PRO A  89
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
3TL  A 126 (-3.4A)
3TL  A 126 (-4.0A)
 0.76A 3tl9A-3slzA:
11.2		 3tl9A-3slzA:
25.95
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
GLY A  34
ALA A  35
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
3TL  A 126 (-3.4A)
 0.29A 3tl9A-3slzA:
11.2		 3tl9A-3slzA:
25.95
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.
3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE

(Acidithiobacillus
ferrooxidans) 		PF07992
(Pyr_redox_2) 		5 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.68A 3tl9A-3t2yA:
undetectable		 3tl9A-3t2yA:
14.97
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) 		8 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
None
 0.80A 3tl9A-3t3cA:
18.4		 3tl9A-3t3cA:
74.75
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) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 1.20A 3tl9A-3t3cA:
18.4		 3tl9A-3t3cA:
74.75
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.44A 3tl9A-3t3cA:
18.4		 3tl9A-3t3cA:
74.75
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.
1akm ORNITHINE
TRANSCARBAMYLASE

(Escherichia
coli) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		3 ARG A 246
VAL A 255
THR A 230
 None
 0.74A 3tl9A-1akmA:
0.0		 3tl9A-1akmA:
11.87
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.
1bco BACTERIOPHAGE MU
TRANSPOSASE

(Escherichia
virus Mu) 		PF02914
(DDE_2)
PF09299
(Mu-transpos_C) 		3 ARG A 324
VAL A 467
THR A 297
 None
 0.81A 3tl9A-1bcoA:
0.0		 3tl9A-1bcoA:
15.36
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.
1cg4 PROTEIN
(ADENYLOSUCCINATE
SYNTHETASE)

(Escherichia
coli) 		PF00709
(Adenylsucc_synt) 		3 ARG A 272
VAL A 313
THR A 358
 None
 0.85A 3tl9A-1cg4A:
0.0		 3tl9A-1cg4A:
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.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		3 ARG A 185
VAL A 303
THR A 218
 None
 0.83A 3tl9A-1flgA:
0.0		 3tl9A-1flgA:
10.59
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.
1fml RETINOL DEHYDRATASE

(Spodoptera
frugiperda) 		PF00685
(Sulfotransfer_1) 		3 ARG A 185
VAL A  68
THR A  79
 A3P  A 400 (-2.8A)
None
None
 0.84A 3tl9A-1fmlA:
0.0		 3tl9A-1fmlA:
13.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fml RETINOL DEHYDRATASE

(Spodoptera
frugiperda) 		PF00685
(Sulfotransfer_1) 		3 ARG A 312
VAL A 293
THR A  77
 A3P  A 400 (-3.7A)
None
A3P  A 400 (-3.6A)
 0.79A 3tl9A-1fmlA:
0.0		 3tl9A-1fmlA:
13.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1foh PHENOL HYDROXYLASE

(Cutaneotrichosporon
cutaneum) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		3 ARG A 394
VAL A 464
THR A 399
 None
 0.68A 3tl9A-1fohA:
0.0		 3tl9A-1fohA:
9.93
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 ARG A   8
VAL A  32
THR A  80
 A79  A 800 (-3.4A)
A79  A 800 ( 4.4A)
None
 0.41A 3tl9A-1hvcA:
14.0		 3tl9A-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 ARG A   8
VAL A  32
THR A  80
 A79  A 800 (-3.6A)
A79  A 800 ( 4.3A)
None
 0.40A 3tl9A-1hvcA:
14.0		 3tl9A-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.
1iu9 ASPARTATE RACEMASE

(Pyrococcus
horikoshii) 		PF01177
(Asp_Glu_race) 		3 ARG A 172
VAL A 155
THR A 178
 None
 0.87A 3tl9A-1iu9A:
undetectable		 3tl9A-1iu9A:
25.86
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.
1lar PROTEIN (LAR)

(Homo sapiens) 		PF00102
(Y_phosphatase) 		3 ARG A1505
VAL A1829
THR A1844
 None
 0.85A 3tl9A-1larA:
0.0		 3tl9A-1larA:
10.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m4i AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE

(Mycobacterium
tuberculosis) 		PF13527
(Acetyltransf_9) 		3 ARG A 176
VAL A 147
THR A 149
 None
 0.88A 3tl9A-1m4iA:
undetectable		 3tl9A-1m4iA:
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.
1mb9 BETA-LACTAM
SYNTHETASE

(Streptomyces
clavuligerus) 		PF00733
(Asn_synthase)
PF13537
(GATase_7) 		3 ARG A 120
VAL A  51
THR A  30
 None
 0.85A 3tl9A-1mb9A:
undetectable		 3tl9A-1mb9A:
11.89
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.
1mlz 7,8-DIAMINO-PELARGON
IC ACID
AMINOTRANSFERASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		3 ARG A 221
VAL A 154
THR A 139
 None
 0.61A 3tl9A-1mlzA:
undetectable		 3tl9A-1mlzA:
12.91
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.
1n9b BETA-LACTAMASE SHV-2

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		3 ARG A 266
VAL A 247
THR A  71
 None
 0.57A 3tl9A-1n9bA:
undetectable		 3tl9A-1n9bA:
17.49
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.
1ort ORNITHINE
TRANSCARBAMOYLASE

(Pseudomonas
aeruginosa) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		3 ARG A 246
VAL A 255
THR A 230
 None
 0.65A 3tl9A-1ortA:
undetectable		 3tl9A-1ortA:
13.47
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.
1ow0 IG ALPHA-1 CHAIN C
REGION

(Homo sapiens) 		PF00047
(ig)
PF07654
(C1-set) 		3 ARG A 401
VAL A 381
THR A 397
 None
 0.80A 3tl9A-1ow0A:
undetectable		 3tl9A-1ow0A:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qge PROTEIN
(TRIACYLGLYCEROL
HYDROLASE)

(Burkholderia
glumae) 		PF00561
(Abhydrolase_1)
no annotation 		3 ARG D  94
VAL E 276
THR D 192
 None
 0.88A 3tl9A-1qgeD:
undetectable		 3tl9A-1qgeD:
16.52
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.
1qlb FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Wolinella
succinogenes) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		3 ARG A 139
VAL A 105
THR A 159
 None
 0.81A 3tl9A-1qlbA:
undetectable		 3tl9A-1qlbA:
12.26
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.
1t8t HEPARAN SULFATE
D-GLUCOSAMINYL
3-O-SULFOTRANSFERASE
3A1

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		3 ARG A 248
VAL A 379
THR A 270
 None
 0.64A 3tl9A-1t8tA:
undetectable		 3tl9A-1t8tA:
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.
1tkc TRANSKETOLASE

(Saccharomyces
cerevisiae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		3 ARG A 417
VAL A 446
THR A 441
 None
 0.79A 3tl9A-1tkcA:
undetectable		 3tl9A-1tkcA:
9.14
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		3 ARG A 768
VAL A 418
THR A 469
 None
 0.80A 3tl9A-1ulvA:
undetectable		 3tl9A-1ulvA:
7.64
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.
1v9l GLUTAMATE
DEHYDROGENASE

(Pyrobaculum
islandicum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		3 ARG A 185
VAL A  72
THR A 148
 None
 0.85A 3tl9A-1v9lA:
undetectable		 3tl9A-1v9lA:
14.94
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.
1vj7 BIFUNCTIONAL
RELA/SPOT

(Streptococcus
dysgalactiae) 		PF04607
(RelA_SpoT)
PF13328
(HD_4) 		3 ARG A 290
VAL A 282
THR A 313
 None
 0.71A 3tl9A-1vj7A:
undetectable		 3tl9A-1vj7A:
14.40
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.
1wkk NUCLEOSIDE
DIPHOSPHATE KINASE

(Thermus
thermophilus) 		PF00334
(NDK) 		3 ARG A  31
VAL A  84
THR A   4
 None
 0.84A 3tl9A-1wkkA:
undetectable		 3tl9A-1wkkA:
23.48
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.
1wko TERMINAL FLOWER 1
PROTEIN

(Arabidopsis
thaliana) 		PF01161
(PBP) 		3 ARG A 122
VAL A  71
THR A 148
 None
 0.84A 3tl9A-1wkoA:
undetectable		 3tl9A-1wkoA:
23.81
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.
1wox HEME OXYGENASE 2

(Synechocystis
sp. PCC 6803) 		PF01126
(Heme_oxygenase) 		3 ARG A  39
VAL A 205
THR A  98
 None
 0.86A 3tl9A-1woxA:
undetectable		 3tl9A-1woxA:
16.94
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.
1yb5 QUINONE
OXIDOREDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 ARG A  12
VAL A  73
THR A  98
 None
 0.66A 3tl9A-1yb5A:
undetectable		 3tl9A-1yb5A:
14.83
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.
1ykd ADENYLATE CYCLASE

(Anabaena sp.) 		PF01590
(GAF) 		3 ARG A 236
VAL A 120
THR A  92
 None
 0.86A 3tl9A-1ykdA:
undetectable		 3tl9A-1ykdA:
15.67
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.
1yr2 PROLYL
OLIGOPEPTIDASE

(Novosphingobium
capsulatum) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		3 ARG A 101
VAL A 479
THR A 429
 None
 0.87A 3tl9A-1yr2A:
undetectable		 3tl9A-1yr2A:
8.61
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.
1ywg GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Plasmodium
falciparum) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		3 ARG O  16
VAL O 290
THR O 242
 None
 0.70A 3tl9A-1ywgO:
undetectable		 3tl9A-1ywgO:
17.10
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.
2b9s TOPOISOMERASE I-LIKE
PROTEIN

(Leishmania
donovani) 		PF01028
(Topoisom_I)
PF02919
(Topoisom_I_N) 		3 ARG A 310
VAL A 447
THR A 417
 None
 0.85A 3tl9A-2b9sA:
undetectable		 3tl9A-2b9sA:
13.30
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.
2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Escherichia
coli) 		PF02233
(PNTB) 		3 ARG C  58
VAL C 109
THR C 106
 None
 0.76A 3tl9A-2bruC:
undetectable		 3tl9A-2bruC:
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.
2bu2 PYRUVATE
DEHYDROGENSAE KINASE
ISOENZYME 2

(Homo sapiens) 		PF02518
(HATPase_c)
PF10436
(BCDHK_Adom3) 		3 ARG A 149
VAL A 138
THR A 376
 None
 0.85A 3tl9A-2bu2A:
undetectable		 3tl9A-2bu2A:
16.10
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.
2c5s PROBABLE THIAMINE
BIOSYNTHESIS PROTEIN
THII

(Bacillus
anthracis) 		PF02568
(ThiI)
PF02926
(THUMP) 		3 ARG A 314
VAL A 207
THR A 272
 None
 0.67A 3tl9A-2c5sA:
undetectable		 3tl9A-2c5sA:
12.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE

(Bordetella
pertussis) 		PF03497
(Anthrax_toxA) 		3 ARG A  15
VAL A  43
THR A  48
 None
 0.66A 3tl9A-2colA:
undetectable		 3tl9A-2colA:
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.
2dpw HYPOTHETICAL PROTEIN
TTHA0179

(Thermus
thermophilus) 		PF12804
(NTP_transf_3) 		3 ARG A 226
VAL A 222
THR A 131
 None
 0.81A 3tl9A-2dpwA:
undetectable		 3tl9A-2dpwA:
17.03
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.
2egg SHIKIMATE
5-DEHYDROGENASE

(Geobacillus
kaustophilus) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		3 ARG A 173
VAL A 146
THR A 211
 None
 0.84A 3tl9A-2eggA:
undetectable		 3tl9A-2eggA:
16.61
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.
2ek8 AMINOPEPTIDASE

(Aneurinibacillus
sp. AM-1) 		PF02225
(PA)
PF04389
(Peptidase_M28) 		3 ARG A  42
VAL A 245
THR A 268
 None
 0.79A 3tl9A-2ek8A:
undetectable		 3tl9A-2ek8A:
12.62
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.
2g5t DIPEPTIDYL PEPTIDASE
4

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		3 ARG A 184
VAL A 155
THR A 152
 None
 0.76A 3tl9A-2g5tA:
undetectable		 3tl9A-2g5tA:
10.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		3 ARG A 422
VAL A 246
THR A 435
 None
 0.79A 3tl9A-2gahA:
undetectable		 3tl9A-2gahA:
7.05
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.
2gh8 CAPSID PROTEIN

(Vesicular
exanthema of
swine virus) 		PF00915
(Calici_coat) 		3 ARG A 385
VAL A 612
THR A 620
 None
 0.86A 3tl9A-2gh8A:
undetectable		 3tl9A-2gh8A:
11.86
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.
2h7g DNA TOPOISOMERASE 1

(Variola virus) 		PF01028
(Topoisom_I)
PF09266
(VirDNA-topo-I_N) 		3 ARG X  86
VAL X 304
THR X 278
 None
 0.76A 3tl9A-2h7gX:
undetectable		 3tl9A-2h7gX:
14.61
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.
2iht CARBOXYETHYLARGININE
SYNTHASE

(Streptomyces
clavuligerus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		3 ARG A 229
VAL A  62
THR A  94
 None
 0.82A 3tl9A-2ihtA:
undetectable		 3tl9A-2ihtA:
11.07
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.
2jzd REPLICASE
POLYPROTEIN 1AB

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF11633
(SUD-M) 		3 ARG A 625
VAL A 635
THR A 528
 None
 0.86A 3tl9A-2jzdA:
undetectable		 3tl9A-2jzdA:
20.93
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.
2lc0 PUTATIVE
UNCHARACTERIZED
PROTEIN TB39.8

(Mycobacterium
tuberculosis) 		PF12401
(DUF3662) 		3 ARG A  10
VAL A 125
THR A 100
 None
 0.78A 3tl9A-2lc0A:
undetectable		 3tl9A-2lc0A:
28.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ng1 SIGNAL SEQUENCE
RECOGNITION PROTEIN
FFH

(Thermus
aquaticus) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		3 ARG A  36
VAL A  43
THR A  48
 None
 0.86A 3tl9A-2ng1A:
undetectable		 3tl9A-2ng1A:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nwq PROBABLE SHORT-CHAIN
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00106
(adh_short) 		3 ARG A  80
VAL A  52
THR A  50
 None
 0.78A 3tl9A-2nwqA:
undetectable		 3tl9A-2nwqA:
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.
2oap TYPE II SECRETION
SYSTEM PROTEIN

(Archaeoglobus
fulgidus) 		PF00437
(T2SSE) 		3 ARG 1 409
VAL 1 265
THR 1 276
 None
 0.82A 3tl9A-2oap1:
undetectable		 3tl9A-2oap1:
14.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2owm RELATED TO
KINESIN-LIKE PROTEIN
KIF1C

(Neurospora
crassa) 		PF00225
(Kinesin) 		3 ARG A 294
VAL A  40
THR A 415
 None
 0.64A 3tl9A-2owmA:
undetectable		 3tl9A-2owmA:
11.35
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.
2q0q ARYL ESTERASE

(Mycolicibacterium
smegmatis) 		PF13472
(Lipase_GDSL_2) 		3 ARG A  33
VAL A  19
THR A  25
 GOL  A1730 (-2.9A)
None
None
 0.82A 3tl9A-2q0qA:
undetectable		 3tl9A-2q0qA:
18.72
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.
2qjg PUTATIVE ALDOLASE
MJ0400

(Methanocaldococcus
jannaschii) 		PF01791
(DeoC) 		3 ARG A 132
VAL A 105
THR A 140
 None
 0.88A 3tl9A-2qjgA:
undetectable		 3tl9A-2qjgA:
15.27
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.
2qpq PROTEIN BUG27

(Bordetella
pertussis) 		PF03401
(TctC) 		3 ARG A  83
VAL A  77
THR A 293
 None
 0.75A 3tl9A-2qpqA:
undetectable		 3tl9A-2qpqA:
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.
2qqk NEUROPILIN-2

(Homo sapiens) 		PF00431
(CUB)
PF00754
(F5_F8_type_C) 		3 ARG A 518
VAL A 468
THR A 367
 None
 0.85A 3tl9A-2qqkA:
undetectable		 3tl9A-2qqkA:
11.61
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.
2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		3 ARG A  70
VAL A 175
THR A 210
 None
 0.85A 3tl9A-2qxlA:
undetectable		 3tl9A-2qxlA:
10.03
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.
2r9g AAA ATPASE, CENTRAL
REGION

(Enterococcus
faecium) 		PF12002
(MgsA_C) 		3 ARG A 278
VAL A 320
THR A 298
 None
 0.70A 3tl9A-2r9gA:
undetectable		 3tl9A-2r9gA:
18.72
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.
2rc3 CBS DOMAIN

(Nitrosomonas
europaea) 		PF00571
(CBS) 		3 ARG A 124
VAL A 102
THR A  99
 BR  A 171 (-4.4A)
None
BR  A 177 ( 4.2A)
 0.88A 3tl9A-2rc3A:
undetectable		 3tl9A-2rc3A:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uvd 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		3 ARG A  60
VAL A  92
THR A 112
 None
 0.70A 3tl9A-2uvdA:
undetectable		 3tl9A-2uvdA:
16.47
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.
2w45 ALKALINE EXONUCLEASE

(Human
gammaherpesvirus
4) 		PF01771
(Herpes_alk_exo) 		3 ARG A  45
VAL A  32
THR A 454
 None
 0.76A 3tl9A-2w45A:
undetectable		 3tl9A-2w45A:
14.42
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.
2xub DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC3

(Homo sapiens) 		PF05645
(RNA_pol_Rpc82)
PF08221
(HTH_9) 		3 ARG A 150
VAL A 107
THR A  95
 None
 0.79A 3tl9A-2xubA:
undetectable		 3tl9A-2xubA:
12.45
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.
2ycb CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR

(Methanothermobacter
thermautotrophicus) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		3 ARG A 149
VAL A 298
THR A 274
 None
 0.88A 3tl9A-2ycbA:
undetectable		 3tl9A-2ycbA:
11.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yfq NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Peptoniphilus
asaccharolyticus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		3 ARG A 187
VAL A  73
THR A 149
 SO4  A1423 (-2.1A)
None
None
 0.78A 3tl9A-2yfqA:
undetectable		 3tl9A-2yfqA:
14.49
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.
2z61 PROBABLE ASPARTATE
AMINOTRANSFERASE 2

(Methanocaldococcus
jannaschii) 		PF00155
(Aminotran_1_2) 		3 ARG A 230
VAL A  48
THR A  43
 LLP  A 222 ( 2.8A)
None
None
 0.73A 3tl9A-2z61A:
undetectable		 3tl9A-2z61A:
14.36
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.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		3 ARG A 138
VAL A 181
THR A 393
 None
 0.84A 3tl9A-3a2qA:
undetectable		 3tl9A-3a2qA:
11.34
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.
3a71 EXO-ARABINANASE

(Penicillium
chrysogenum) 		no annotation 3 ARG A 164
VAL A 172
THR A 137
 None
 0.82A 3tl9A-3a71A:
undetectable		 3tl9A-3a71A:
13.16
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.
3axs PROBABLE
N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE
TRM1

(Aquifex
aeolicus) 		PF02005
(TRM) 		3 ARG A 192
VAL A 358
THR A 355
 None
 0.78A 3tl9A-3axsA:
undetectable		 3tl9A-3axsA:
14.40
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		3 ARG A 294
VAL A 303
THR A 316
 None
 0.79A 3tl9A-3ckbA:
undetectable		 3tl9A-3ckbA:
11.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cps GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		3 ARG A 252
VAL A 261
THR A 169
 None
 0.81A 3tl9A-3cpsA:
undetectable		 3tl9A-3cpsA:
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.
3d3y UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF05193
(Peptidase_M16_C) 		3 ARG A 343
VAL A 274
THR A 350
 None
 0.84A 3tl9A-3d3yA:
undetectable		 3tl9A-3d3yA:
14.59
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.
3ff2 UNCHARACTERIZED
CYSTATIN FOLD
PROTEIN
(YP_497570.1) FROM
NTF2 SUPERFAMILY

(Novosphingobium
aromaticivorans) 		PF12680
(SnoaL_2) 		3 ARG A 111
VAL A  23
THR A  47
 None
 0.80A 3tl9A-3ff2A:
undetectable		 3tl9A-3ff2A:
17.80
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.
3fkj PUTATIVE
PHOSPHOSUGAR
ISOMERASES

(Salmonella
enterica) 		PF01380
(SIS) 		3 ARG A  23
VAL A  92
THR A  64
 None
 0.86A 3tl9A-3fkjA:
undetectable		 3tl9A-3fkjA:
17.49
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.
3grf ORNITHINE
CARBAMOYLTRANSFERASE

(Giardia
intestinalis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		3 ARG A 255
VAL A 264
THR A 239
 None
 0.80A 3tl9A-3grfA:
undetectable		 3tl9A-3grfA:
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.
3gt5 N-ACETYLGLUCOSAMINE
2-EPIMERASE

(Xylella
fastidiosa) 		PF07221
(GlcNAc_2-epim) 		3 ARG A 204
VAL A 125
THR A 147
 None
 0.71A 3tl9A-3gt5A:
undetectable		 3tl9A-3gt5A:
12.89
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.
3hdx SUSD SUPERFAMILY
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		3 ARG A 161
VAL A 106
THR A  68
 None
 0.83A 3tl9A-3hdxA:
undetectable		 3tl9A-3hdxA:
10.67
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.
3hpf MUCONATE
CYCLOISOMERASE

(Oceanobacillus
iheyensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ARG A  15
VAL A 338
THR A 304
 GAE  A 411 (-3.0A)
None
None
 0.87A 3tl9A-3hpfA:
undetectable		 3tl9A-3hpfA:
13.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i2m ORF59

(Human
gammaherpesvirus
8) 		PF04929
(Herpes_DNAp_acc) 		3 ARG X  21
VAL X  48
THR X  30
 None
 0.85A 3tl9A-3i2mX:
undetectable		 3tl9A-3i2mX:
17.92
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.
3in5 DNA POLYMERASE KAPPA

(Homo sapiens) 		PF00817
(IMS)
PF11798
(IMS_HHH)
PF11799
(IMS_C) 		3 ARG A 298
VAL A 177
THR A 305
 None
 0.87A 3tl9A-3in5A:
undetectable		 3tl9A-3in5A:
11.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ism CG4930
CG8862

(Drosophila
melanogaster) 		PF01223
(Endonuclease_NS)
PF08785
(Ku_PK_bind) 		3 ARG A 153
VAL C  50
THR C  55
 None
 0.79A 3tl9A-3ismA:
undetectable		 3tl9A-3ismA:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3it4 ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ ALPHA CHAIN

(Mycobacterium
tuberculosis) 		PF01960
(ArgJ) 		3 ARG A 133
VAL A 124
THR A 102
 None
 0.87A 3tl9A-3it4A:
undetectable		 3tl9A-3it4A:
16.26
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.
3jb9 PRE-MRNA-SPLICING
FACTOR SPP42

(Schizosaccharomyces
pombe) 		PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		3 ARG A  94
VAL A 519
THR A 148
 None
 0.77A 3tl9A-3jb9A:
undetectable		 3tl9A-3jb9A:
3.81
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.
3ksd GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
1

(Staphylococcus
aureus) 		no annotation 3 ARG Q  15
VAL Q 284
THR Q 239
 None
 0.67A 3tl9A-3ksdQ:
undetectable		 3tl9A-3ksdQ:
14.88
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.
3kya PUTATIVE PHOSPHATASE

(Bacteroides
thetaiotaomicron) 		PF01833
(TIG) 		3 ARG A 466
VAL A 462
THR A 444
 None
 0.85A 3tl9A-3kyaA:
undetectable		 3tl9A-3kyaA:
12.03
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.
3l6r SERINE RACEMASE

(Homo sapiens) 		PF00291
(PALP) 		3 ARG A 277
VAL A 293
THR A  38
 None
 0.83A 3tl9A-3l6rA:
undetectable		 3tl9A-3l6rA:
16.22
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.
3ll9 ISOPENTENYL
PHOSPHATE KINASE

(Methanothermobacter
thermautotrophicus) 		PF00696
(AA_kinase) 		3 ARG A  59
VAL A 142
THR A  80
 None
 0.88A 3tl9A-3ll9A:
undetectable		 3tl9A-3ll9A:
16.42
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.
3lm6 STAGE V SPORULATION
PROTEIN AD

(Bacillus
subtilis) 		PF07451
(SpoVAD) 		3 ARG A 295
VAL A 284
THR A  22
 None
 0.84A 3tl9A-3lm6A:
undetectable		 3tl9A-3lm6A:
13.16
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.
3mcu DIPICOLINATE
SYNTHASE, B CHAIN

(Bacillus cereus) 		PF02441
(Flavoprotein) 		3 ARG A  37
VAL A 124
THR A 117
 None
 0.65A 3tl9A-3mcuA:
undetectable		 3tl9A-3mcuA:
21.38
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.
3mcu DIPICOLINATE
SYNTHASE, B CHAIN

(Bacillus cereus) 		PF02441
(Flavoprotein) 		3 ARG A 170
VAL A 125
THR A 177
 None
 0.87A 3tl9A-3mcuA:
undetectable		 3tl9A-3mcuA:
21.38
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 ARG A   8
VAL A  32
THR A  80
 None
 0.69A 3tl9A-3mwsA:
19.8		 3tl9A-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.
3ol2 SEMAPHORIN-4D

(Homo sapiens) 		PF00047
(ig)
PF01403
(Sema)
PF01437
(PSI) 		3 ARG A 412
VAL A 404
THR A 332
 None
 0.84A 3tl9A-3ol2A:
undetectable		 3tl9A-3ol2A:
9.05
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.
3pdw UNCHARACTERIZED
HYDROLASE YUTF

(Bacillus
subtilis) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		3 ARG A 124
VAL A 119
THR A 147
 None
 0.82A 3tl9A-3pdwA:
undetectable		 3tl9A-3pdwA:
18.86
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.
3r6o 2-HYDROXYHEPTA-2,4-D
IENE-1,
7-DIOATEISOMERASE

(Mycobacteroides
abscessus) 		PF01557
(FAA_hydrolase) 		3 ARG A 129
VAL A 125
THR A 197
 None
 0.86A 3tl9A-3r6oA:
undetectable		 3tl9A-3r6oA:
17.70
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.
3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I

(Burkholderia
lata) 		PF00117
(GATase)
PF00425
(Chorismate_bind) 		3 ARG A 504
VAL A 473
THR A 457
 None
 0.75A 3tl9A-3r75A:
undetectable		 3tl9A-3r75A:
10.23
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.
3rhy N(G),N(G)-DIMETHYLAR
GININE
DIMETHYLAMINOHYDROLA
SE

(Pseudomonas
aeruginosa) 		PF02274
(Amidinotransf) 		3 ARG A  85
VAL A 160
THR A 165
 HM3  A 255 ( 4.7A)
None
None
 0.73A 3tl9A-3rhyA:
undetectable		 3tl9A-3rhyA:
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.
3sr6 XANTHINE
DEHYDROGENASE/OXIDAS
E

(Bos taurus) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		3 ARG C1279
VAL C1310
THR C1286
 None
 0.86A 3tl9A-3sr6C:
undetectable		 3tl9A-3sr6C:
10.16
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.
3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00478
(IMPDH)
PF00571
(CBS) 		3 ARG A 440
VAL A 360
THR A  34
 None
 0.43A 3tl9A-3tsdA:
undetectable		 3tl9A-3tsdA:
12.10
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.
3u44 ATP-DEPENDENT
HELICASE/DEOXYRIBONU
CLEASE SUBUNIT B

(Bacillus
subtilis) 		PF12705
(PDDEXK_1) 		3 ARG B  84
VAL B  75
THR B  79
 None
 0.86A 3tl9A-3u44B:
undetectable		 3tl9A-3u44B:
6.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vi3 INTEGRIN ALPHA-5

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		3 ARG A 423
VAL A 369
THR A 292
 None
 0.80A 3tl9A-3vi3A:
undetectable		 3tl9A-3vi3A:
11.55
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.
3vys HYDROGENASE
EXPRESSION/FORMATION
PROTEIN HYPD

(Thermococcus
kodakarensis) 		PF01924
(HypD) 		3 ARG B  84
VAL B  73
THR B 106
 None
 0.70A 3tl9A-3vysB:
undetectable		 3tl9A-3vysB:
12.57
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.
3wdj TYPE I PULLULANASE

(Anoxybacillus
sp. LM18-11) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		3 ARG A 321
VAL A 344
THR A 301
 None
 0.84A 3tl9A-3wdjA:
undetectable		 3tl9A-3wdjA:
9.75
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.
3wst PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Caenorhabditis
elegans) 		PF13649
(Methyltransf_25) 		3 ARG A 122
VAL A 118
THR A  73
 SAH  A 701 (-4.0A)
None
None
 0.85A 3tl9A-3wstA:
undetectable		 3tl9A-3wstA:
10.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bqc PROTEIN
(BETA-MANNANASE)

(Thermobifida
fusca) 		PF00150
(Cellulase) 		5 GLY A 227
ILE A 195
GLY A 224
ILE A 252
ILE A 240
 None
 0.84A 3tl9B-1bqcA:
undetectable		 3tl9B-1bqcA:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 ASP E 215
GLY E 217
VAL E 222
GLY E  76
ILE E 300
 None
 0.75A 3tl9B-1cziE:
6.8		 3tl9B-1cziE:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gae D-GLYCERALDEHYDE-3-P
HOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA O  19
VAL O   3
ILE O 325
ILE O  11
ILE O  27
 None
None
None
NAD  O 336 (-3.9A)
None
 0.77A 3tl9B-1gaeO:
undetectable		 3tl9B-1gaeO:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 LEU A 189
GLY A 192
VAL A 403
ILE A 242
ILE A 367
 None
MGD  A1002 (-3.7A)
None
None
None
 0.80A 3tl9B-1h0hA:
undetectable		 3tl9B-1h0hA:
7.65
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) 		6 ALA A  28
VAL A  32
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 1.00A 3tl9B-1hvcA:
13.1		 3tl9B-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) 		12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.55A 3tl9B-1hvcA:
13.1		 3tl9B-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) 		12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.34A 3tl9B-1hvcA:
13.1		 3tl9B-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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 GLY A 721
ALA A 720
GLY A 715
ILE A 714
ILE A 707
 None
 0.83A 3tl9B-1l5jA:
undetectable		 3tl9B-1l5jA:
8.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1llu ALCOHOL
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  42
ILE A  64
GLY A 119
VAL A  36
ILE A  38
 None
 0.85A 3tl9B-1lluA:
undetectable		 3tl9B-1lluA:
16.03
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.
1lxy ARGININE DEIMINASE

(Mycoplasma
arginini) 		PF02274
(Amidinotransf) 		6 LEU A  65
GLY A  18
ILE A  17
PRO A 402
VAL A  23
ILE A  70
 None
 1.22A 3tl9B-1lxyA:
undetectable		 3tl9B-1lxyA:
14.43
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.
1orq POTASSIUM CHANNEL

(Aeropyrum
pernix) 		PF00520
(Ion_trans) 		6 LEU C 218
VAL C  39
GLY C 209
ILE C 168
VAL C  44
ILE C  40
 None
 1.47A 3tl9B-1orqC:
undetectable		 3tl9B-1orqC:
22.02
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.
1p4a PUR OPERON REPRESSOR

(Bacillus
subtilis) 		PF00156
(Pribosyltran)
PF09182
(PuR_N) 		6 LEU A 152
GLY A 228
ALA A 227
PRO A 155
VAL A 154
ILE A 131
 None
 1.43A 3tl9B-1p4aA:
undetectable		 3tl9B-1p4aA:
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.
1pix GLUTACONYL-COA
DECARBOXYLASE A
SUBUNIT

(Acidaminococcus
fermentans) 		PF01039
(Carboxyl_trans) 		5 LEU A 146
GLY A 189
ALA A 211
GLY A 252
ILE A 187
 None
 0.83A 3tl9B-1pixA:
undetectable		 3tl9B-1pixA:
11.84
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.
1prs DEVELOPMENT-SPECIFIC
PROTEIN S

(Myxococcus
xanthus) 		PF00030
(Crystall) 		5 LEU A  19
GLY A  22
VAL A  44
VAL A   6
ILE A   4
 None
 0.87A 3tl9B-1prsA:
undetectable		 3tl9B-1prsA:
23.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
VAL A  32
PRO A  81
ILE A  84
 None
 0.69A 3tl9B-1q9pA:
10.5		 3tl9B-1q9pA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rjw ALCOHOL
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 GLY A  36
ALA A 144
ILE A 134
GLY A  84
ILE A  85
VAL A 151
 None
 1.33A 3tl9B-1rjwA:
undetectable		 3tl9B-1rjwA:
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.
1s2t PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE

(Mytilus edulis) 		PF13714
(PEP_mutase) 		5 LEU A  71
ALA A  32
GLY A  42
ILE A  23
VAL A 108
 None
 0.84A 3tl9B-1s2tA:
undetectable		 3tl9B-1s2tA:
18.57
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) 		9 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.58A 3tl9B-1sivA:
17.7		 3tl9B-1sivA:
51.96
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) 		5 ASP A  25
GLY A  27
ALA A  28
GLY A  48
ILE A  84
 None
 0.59A 3tl9B-1sivA:
17.7		 3tl9B-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.
1to3 PUTATIVE ALDOLASE
YIHT

(Salmonella
enterica) 		PF01791
(DeoC) 		5 LEU A 184
GLY A 188
ALA A 189
VAL A 127
ILE A 158
 None
 0.80A 3tl9B-1to3A:
undetectable		 3tl9B-1to3A:
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.
1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE

(Escherichia
coli) 		PF12697
(Abhydrolase_6) 		5 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.81A 3tl9B-1u2eA:
undetectable		 3tl9B-1u2eA:
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.
1uaa PROTEIN
(ATP-DEPENDENT DNA
HELICASE REP.)

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 LEU A 630
ALA A 596
ILE A 291
ILE A 283
PRO A 634
 None
 0.87A 3tl9B-1uaaA:
undetectable		 3tl9B-1uaaA:
10.67
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.
1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		6 LEU A  67
GLY A  93
ALA A  70
GLY A  17
PRO A  31
VAL A   8
 None
 1.18A 3tl9B-1uagA:
undetectable		 3tl9B-1uagA:
12.80
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.
1usy ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Thermotoga
maritima) 		PF13393
(tRNA-synt_His) 		5 ALA C 251
VAL C 114
ILE C 238
VAL C 109
ILE C 113
 None
 0.54A 3tl9B-1usyC:
undetectable		 3tl9B-1usyC:
16.48
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.
1uww ENDOGLUCANASE

(Bacillus akibai) 		PF03424
(CBM_17_28) 		5 ALA A 122
VAL A  89
ILE A 169
VAL A 147
ILE A 149
 None
 0.86A 3tl9B-1uwwA:
undetectable		 3tl9B-1uwwA:
20.71
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.
1vkn N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Thermotoga
maritima) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 LEU A  70
VAL A 139
ILE A 120
VAL A  89
ILE A  91
 None
 0.86A 3tl9B-1vknA:
undetectable		 3tl9B-1vknA:
16.57
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.
1vr0 PROBABLE
2-PHOSPHOSULFOLACTAT
E PHOSPHATASE

(Clostridium
acetobutylicum) 		PF04029
(2-ph_phosp) 		6 LEU A  38
GLY A 121
ILE A 118
PRO A  47
VAL A  45
ILE A  34
 None
 1.48A 3tl9B-1vr0A:
undetectable		 3tl9B-1vr0A:
18.30
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.
1wac P2 PROTEIN

(Pseudomonas
virus phi6) 		PF00680
(RdRP_1) 		6 LEU A 252
GLY A  35
ALA A  36
PRO A 261
VAL A 260
ILE A 258
 None
 1.26A 3tl9B-1wacA:
undetectable		 3tl9B-1wacA:
11.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wdt ELONGATION FACTOR G
HOMOLOG

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		5 ALA A 237
VAL A 213
GLY A 231
VAL A 208
ILE A 212
 None
 0.87A 3tl9B-1wdtA:
undetectable		 3tl9B-1wdtA:
8.24
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.
1wsv AMINOMETHYLTRANSFERA
SE

(Homo sapiens) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.79A 3tl9B-1wsvA:
undetectable		 3tl9B-1wsvA:
14.93
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.
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophilus) 		PF00107
(ADH_zinc_N) 		5 GLY A 131
ALA A 130
ILE A  66
ILE A  87
VAL A 324
 None
SO4  A 329 ( 4.2A)
None
None
None
 0.87A 3tl9B-1xa0A:
undetectable		 3tl9B-1xa0A:
16.78
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.
1xfj CONSERVED
HYPOTHETICAL PROTEIN

(Caulobacter
vibrioides) 		PF02578
(Cu-oxidase_4) 		5 ALA A 128
VAL A 146
ILE A 159
GLY A 161
VAL A 141
 None
 0.89A 3tl9B-1xfjA:
undetectable		 3tl9B-1xfjA:
15.59
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.
1zo1 TRANSLATION
INITIATION FACTOR 1

(Escherichia
coli) 		PF01176
(eIF-1a) 		5 LEU W  26
GLY W  65
ALA W  34
VAL W  13
ILE W  47
 None
 0.88A 3tl9B-1zo1W:
undetectable		 3tl9B-1zo1W:
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.
2ab4 TRNA PSEUDOURIDINE
SYNTHASE B

(Thermotoga
maritima) 		PF01472
(PUA)
PF01509
(TruB_N)
PF16198
(TruB_C_2) 		6 LEU A  46
GLY A  33
ILE A  56
GLY A   4
ILE A 219
ILE A  47
 None
C  B  16 ( 3.5A)
None
None
None
None
 1.45A 3tl9B-2ab4A:
undetectable		 3tl9B-2ab4A:
15.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aqw PUTATIVE
OROTIDINE-MONOPHOSPH
ATE-DECARBOXYLASE

(Plasmodium
yoelii) 		PF00215
(OMPdecase) 		6 ALA A 221
VAL A 244
ILE A 264
GLY A 241
ILE A 240
ILE A 195
 None
 1.48A 3tl9B-2aqwA:
undetectable		 3tl9B-2aqwA:
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		6 LEU A 669
GLY A 672
ALA A 770
VAL A 795
GLY A 775
PRO A 787
 None
 1.08A 3tl9B-2b3xA:
undetectable		 3tl9B-2b3xA:
7.38
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.
2b4q RHAMNOLIPIDS
BIOSYNTHESIS
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		6 ARG A  85
GLY A 237
ALA A 236
VAL A  90
ILE A  25
ILE A  88
 None
 1.09A 3tl9B-2b4qA:
undetectable		 3tl9B-2b4qA:
19.53
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.
2b4q RHAMNOLIPIDS
BIOSYNTHESIS
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		6 GLY A 237
ALA A 236
VAL A  90
ILE A  25
GLY A  28
ILE A  88
 None
 0.99A 3tl9B-2b4qA:
undetectable		 3tl9B-2b4qA:
19.53
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.
2bih NITRATE REDUCTASE
[NADPH]

(Ogataea angusta) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 LEU A 256
GLY A 178
ALA A 180
VAL A 107
ILE A 109
 None
 0.86A 3tl9B-2bihA:
undetectable		 3tl9B-2bihA:
13.30
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.
2bii NITRATE REDUCTASE
[NADPH]

(Ogataea angusta) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 LEU A 256
GLY A 178
ALA A 180
VAL A 107
ILE A 109
 None
 0.79A 3tl9B-2biiA:
undetectable		 3tl9B-2biiA:
14.81
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.
2cun PHOSPHOGLYCERATE
KINASE

(Pyrococcus
horikoshii) 		PF00162
(PGK) 		5 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.81A 3tl9B-2cunA:
undetectable		 3tl9B-2cunA:
16.28
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.
2dph FORMALDEHYDE
DISMUTASE

(Pseudomonas
putida) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 GLY A 174
ALA A 201
VAL A 189
GLY A 296
ILE A 297
ILE A 191
 None
 1.41A 3tl9B-2dphA:
undetectable		 3tl9B-2dphA:
14.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		11 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  53
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.57A 3tl9B-2fmbA:
14.3		 3tl9B-2fmbA:
32.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  54
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.6A)
LP1  A 201 (-4.2A)
 0.70A 3tl9B-2fmbA:
14.3		 3tl9B-2fmbA:
32.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g17 N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Salmonella
enterica) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		6 LEU A  48
GLY A  14
ALA A  15
VAL A  56
PRO A  59
ILE A  45
 None
 1.42A 3tl9B-2g17A:
undetectable		 3tl9B-2g17A:
17.02
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.
2g1s RENIN

(Homo sapiens) 		PF00026
(Asp) 		5 LEU A 219
ASP A 221
GLY A 223
ALA A 224
PRO A 301
 None
4IG  A 885 (-2.6A)
4IG  A 885 (-3.9A)
4IG  A 885 ( 4.7A)
None
 0.68A 3tl9B-2g1sA:
7.7		 3tl9B-2g1sA:
14.41
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.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00456
(Transketolase_N) 		5 LEU A 565
GLY A 573
PRO A 594
VAL A 516
ILE A 518
 None
 0.88A 3tl9B-2g28A:
undetectable		 3tl9B-2g28A:
8.12
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.
2h39 PROBABLE
GALACTOSE-1-PHOSPHAT
E URIDYL TRANSFERASE

(Arabidopsis
thaliana) 		PF01087
(GalP_UDP_transf)
PF02744
(GalP_UDP_tr_C) 		6 ASP A 139
ILE A 148
GLY A 144
PRO A 131
VAL A 132
ILE A 135
 None
 1.46A 3tl9B-2h39A:
undetectable		 3tl9B-2h39A:
16.16
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.
2hk7 SHIKIMATE
DEHYDROGENASE

(Aquifex
aeolicus) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		6 GLY A 146
ALA A 147
VAL A 183
ILE A 118
VAL A 128
ILE A 126
 None
 1.03A 3tl9B-2hk7A:
undetectable		 3tl9B-2hk7A:
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.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 GLY A 190
ALA A 189
GLY A 183
ILE A 180
PRO A 296
 None
None
PLP  A 400 (-3.4A)
PLP  A 400 (-4.9A)
PLP  A 400 (-4.0A)
 0.74A 3tl9B-2isqA:
undetectable		 3tl9B-2isqA:
15.41
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.
2nr7 SECRETION ACTIVATOR
PROTEIN, PUTATIVE

(Porphyromonas
gingivalis) 		PF05838
(Glyco_hydro_108)
PF09374
(PG_binding_3) 		5 LEU A 134
GLY A 102
ILE A 103
VAL A  87
ILE A 138
 None
 0.79A 3tl9B-2nr7A:
undetectable		 3tl9B-2nr7A:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p3e DIAMINOPIMELATE
DECARBOXYLASE

(Aquifex
aeolicus) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ALA A 355
VAL A 371
GLY A 345
ILE A 308
ILE A 328
 None
 0.87A 3tl9B-2p3eA:
undetectable		 3tl9B-2p3eA:
13.84
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.
2p4z METAL-DEPENDENT
HYDROLASES OF THE
BETA-LACTAMASE
SUPERFAMILY II

(Caldanaerobacter
subterraneus) 		PF00753
(Lactamase_B) 		5 LEU A  38
GLY A 145
ILE A 149
VAL A  47
ILE A  45
 None
 0.88A 3tl9B-2p4zA:
undetectable		 3tl9B-2p4zA:
19.74
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.
2p9b POSSIBLE PROLIDASE

(Bifidobacterium
longum) 		PF01979
(Amidohydro_1) 		6 ARG A 279
LEU A 338
GLY A 329
ALA A 330
GLY A 368
ILE A 340
 None
 1.38A 3tl9B-2p9bA:
undetectable		 3tl9B-2p9bA:
12.70
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.
2ph3 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		6 LEU A  28
GLY A  14
ALA A   9
VAL A  56
VAL A  54
ILE A  30
 None
 1.06A 3tl9B-2ph3A:
undetectable		 3tl9B-2ph3A:
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.
2q0l THIOREDOXIN
REDUCTASE

(Helicobacter
pylori) 		PF07992
(Pyr_redox_2) 		5 ALA A   5
VAL A  84
ILE A 108
GLY A   8
ILE A  93
 None
None
None
FAD  A 400 (-3.2A)
None
 0.79A 3tl9B-2q0lA:
undetectable		 3tl9B-2q0lA:
17.24
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.
2q50 GLYOXYLATE
REDUCTASE/HYDROXYPYR
UVATE REDUCTASE

(Homo sapiens) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		6 GLY A  72
ALA A  71
VAL A  63
ILE A  78
GLY A  54
ILE A  67
 None
 1.39A 3tl9B-2q50A:
undetectable		 3tl9B-2q50A:
15.85
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.
2qpz NAPHTHALENE
1,2-DIOXYGENASE
SYSTEM FERREDOXIN
SUBUNIT

(Pseudomonas
putida) 		PF00355
(Rieske) 		5 LEU A 102
ALA A   7
VAL A  91
ILE A  37
ILE A 100
 None
 0.87A 3tl9B-2qpzA:
undetectable		 3tl9B-2qpzA:
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.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		6 LEU A 283
GLY A  63
ALA A  62
GLY A  57
VAL A 279
ILE A 280
 None
 0.96A 3tl9B-2ri6A:
undetectable		 3tl9B-2ri6A:
17.75
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) 		9 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.42A 3tl9B-2rkfA:
19.6		 3tl9B-2rkfA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		6 ARG A  10
LEU A  35
ASP A  37
GLY A  39
ALA A  40
ILE A 108
 None
 0.84A 3tl9B-2rspA:
11.9		 3tl9B-2rspA:
31.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		6 ARG A 105
LEU A  35
ASP A  37
GLY A  39
ALA A  40
ILE A 108
 None
 1.41A 3tl9B-2rspA:
11.9		 3tl9B-2rspA:
31.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vca ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		5 GLY A  32
VAL A 152
ILE A 132
GLY A 130
ILE A  29
 None
 0.81A 3tl9B-2vcaA:
undetectable		 3tl9B-2vcaA:
8.51
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.
2vge RELA-ASSOCIATED
INHIBITOR

(Homo sapiens) 		PF00023
(Ank)
PF14604
(SH3_9) 		6 LEU A 640
ALA A 635
VAL A 676
ILE A 668
GLY A 670
ILE A 675
 None
 1.43A 3tl9B-2vgeA:
undetectable		 3tl9B-2vgeA:
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.
2wqd PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Staphylococcus
aureus) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		6 VAL A 229
ILE A 220
GLY A 180
ILE A 201
VAL A 205
ILE A 204
 None
 1.38A 3tl9B-2wqdA:
undetectable		 3tl9B-2wqdA:
11.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 LEU A 188
GLY A 255
ALA A 254
ILE A 248
ILE A 185
 None
 0.87A 3tl9B-2wskA:
undetectable		 3tl9B-2wskA:
8.70
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.
2yb6 UBIQUITIN-CONJUGATIN
G ENZYME E2 B

(Homo sapiens) 		PF00179
(UQ_con) 		5 GLY A  26
ALA A  38
VAL A  70
ILE A 109
ILE A  57
 None
 0.85A 3tl9B-2yb6A:
undetectable		 3tl9B-2yb6A:
21.02
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.
2z0j PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1438

(Thermus
thermophilus) 		PF04029
(2-ph_phosp) 		6 ARG A 129
GLY A 156
ALA A 155
GLY A 173
VAL A 136
ILE A 138
 None
 1.16A 3tl9B-2z0jA:
undetectable		 3tl9B-2z0jA:
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.
2z0j PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1438

(Thermus
thermophilus) 		PF04029
(2-ph_phosp) 		6 ARG A 129
LEU A 162
GLY A 156
ALA A 155
GLY A 173
VAL A 136
 None
 1.49A 3tl9B-2z0jA:
undetectable		 3tl9B-2z0jA:
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.
3a5r BENZALACETONE
SYNTHASE

(Rheum palmatum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		6 GLY A 365
VAL A 264
ILE A 247
GLY A 369
ILE A 239
ILE A 268
 None
 1.35A 3tl9B-3a5rA:
undetectable		 3tl9B-3a5rA:
16.47
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.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 GLY A 327
ALA A 329
GLY A 274
ILE A 271
VAL A 693
 None
 0.89A 3tl9B-3aqpA:
undetectable		 3tl9B-3aqpA:
10.43
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.
3b46 AMINOTRANSFERASE
BNA3

(Saccharomyces
cerevisiae) 		PF00155
(Aminotran_1_2) 		5 LEU A 264
GLY A 260
ALA A 253
ILE A 108
VAL A 283
 None
 0.85A 3tl9B-3b46A:
undetectable		 3tl9B-3b46A:
13.30
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.
3c4n UNCHARACTERIZED
PROTEIN DR_0571

(Deinococcus
radiodurans) 		PF01266
(DAO) 		5 LEU A 370
GLY A 200
VAL A  40
VAL A 230
ILE A 228
 None
 0.83A 3tl9B-3c4nA:
undetectable		 3tl9B-3c4nA:
12.29
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.
3clj PROTEIN NRD1

(Saccharomyces
cerevisiae) 		PF04818
(CTD_bind) 		6 ARG A  55
LEU A 108
GLY A  73
ILE A  72
VAL A 104
ILE A 105
 None
 1.31A 3tl9B-3cljA:
undetectable		 3tl9B-3cljA:
19.75
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.
3d79 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0734

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF09183
(DUF1947) 		6 LEU A 101
GLY A  95
ALA A  96
VAL A 106
ILE A 111
ILE A 100
 None
 1.08A 3tl9B-3d79A:
undetectable		 3tl9B-3d79A:
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.
3ecd SERINE
HYDROXYMETHYLTRANSFE
RASE 2

(Burkholderia
pseudomallei) 		PF00464
(SHMT) 		6 LEU A 295
GLY A 216
ALA A 215
PRO A 370
VAL A 294
ILE A 291
 None
 1.26A 3tl9B-3ecdA:
undetectable		 3tl9B-3ecdA:
14.88
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		6 LEU A 360
GLY A 464
ALA A 465
VAL A 542
ILE A 484
VAL A 456
 None
 1.18A 3tl9B-3ecqA:
undetectable		 3tl9B-3ecqA:
5.62
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.
3eg4 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-SUCCINYLTRANSFERAS
E

(Brucella suis) 		PF00132
(Hexapep)
PF14602
(Hexapep_2)
PF14805
(THDPS_N_2) 		6 LEU A 130
GLY A 144
ALA A 145
ILE A 185
VAL A 135
ILE A 147
 None
 1.25A 3tl9B-3eg4A:
undetectable		 3tl9B-3eg4A:
17.43
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.
3f1x SERINE
ACETYLTRANSFERASE

(Bacteroides
vulgatus) 		PF00132
(Hexapep) 		6 LEU A 231
ALA A 264
VAL A 284
ILE A 294
ILE A 259
ILE A 266
 None
 1.21A 3tl9B-3f1xA:
undetectable		 3tl9B-3f1xA:
16.67
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.
3f8r THIOREDOXIN
REDUCTASE (TRXB-3)

(Sulfolobus
solfataricus) 		PF07992
(Pyr_redox_2) 		6 GLY A 305
ALA A 285
ILE A 121
GLY A  22
VAL A  18
ILE A 118
 None
None
NAP  A4005 (-3.8A)
NAP  A4005 (-3.1A)
None
None
 1.50A 3tl9B-3f8rA:
undetectable		 3tl9B-3f8rA:
18.31
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.
3fbs OXIDOREDUCTASE

(Agrobacterium
fabrum) 		PF07992
(Pyr_redox_2) 		5 GLY A 284
ALA A  17
ILE A  66
GLY A  22
ILE A   7
 None
 0.88A 3tl9B-3fbsA:
undetectable		 3tl9B-3fbsA:
20.80
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.
3g7r PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 ALA A 167
VAL A  99
GLY A 186
VAL A  94
ILE A  98
 None
None
None
None
EDO  A 960 ( 4.8A)
 0.88A 3tl9B-3g7rA:
undetectable		 3tl9B-3g7rA:
20.53
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.
3g7r PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 GLY A 166
ALA A 167
VAL A  99
GLY A 186
ILE A  98
 None
None
None
None
EDO  A 960 ( 4.8A)
 0.83A 3tl9B-3g7rA:
undetectable		 3tl9B-3g7rA:
20.53
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.
3gf7 GLUTACONYL-COA
DECARBOXYLASE
SUBUNIT A

([Clostridium]
symbiosum) 		PF01039
(Carboxyl_trans) 		5 LEU A 148
GLY A 191
ALA A 213
GLY A 256
ILE A 189
 None
 0.81A 3tl9B-3gf7A:
undetectable		 3tl9B-3gf7A:
10.77
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.
3gh8 IODOTYROSINE
DEHALOGENASE 1

(Mus musculus) 		PF00881
(Nitroreductase) 		5 LEU A 256
GLY A 218
ILE A 116
GLY A 120
ILE A 190
 None
 0.82A 3tl9B-3gh8A:
undetectable		 3tl9B-3gh8A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hdy UDP-GALACTOPYRANOSE
MUTASE

(Deinococcus
radiodurans) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 GLY A  38
ALA A  37
VAL A 237
VAL A  55
ILE A  57
 FAD  A 450 (-3.3A)
None
None
None
None
 0.87A 3tl9B-3hdyA:
undetectable		 3tl9B-3hdyA:
14.32
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.
3hh1 TETRAPYRROLE
METHYLASE FAMILY
PROTEIN

(Chlorobaculum
tepidum) 		PF00590
(TP_methylase) 		5 LEU A  79
GLY A 111
ALA A 110
VAL A  75
ILE A  76
 None
 0.83A 3tl9B-3hh1A:
undetectable		 3tl9B-3hh1A:
24.22
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.
3htn PUTATIVE DNA BINDING
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF03479
(DUF296) 		5 LEU A 117
GLY A 157
GLY A  89
ILE A 152
ILE A 114
 None
 0.86A 3tl9B-3htnA:
undetectable		 3tl9B-3htnA:
25.35
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.
3iay DNA POLYMERASE DELTA
CATALYTIC SUBUNIT

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASP A 976
GLY A 975
ALA A 971
ILE A 811
GLY A 598
 None
 0.87A 3tl9B-3iayA:
undetectable		 3tl9B-3iayA:
10.58
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.
3j7a 40S RIBOSOMAL
PROTEIN ES6

(Plasmodium
falciparum) 		PF01092
(Ribosomal_S6e) 		5 LEU H 111
GLY H  55
ILE H 101
GLY H 103
ILE H  52
 None
G  A 160 ( 3.9A)
None
None
None
 0.74A 3tl9B-3j7aH:
undetectable		 3tl9B-3j7aH:
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.
3khz PUTATIVE DIPEPTIDASE
SACOL1801

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20) 		5 LEU A 130
GLY A  73
ALA A  72
GLY A  80
ILE A 127
 None
 0.87A 3tl9B-3khzA:
undetectable		 3tl9B-3khzA:
14.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kkl PROBABLE CHAPERONE
PROTEIN HSP33

(Saccharomyces
cerevisiae) 		no annotation 6 LEU A 156
GLY A 159
ALA A 196
ILE A 210
PRO A 141
ILE A 157
 None
 1.25A 3tl9B-3kklA:
undetectable		 3tl9B-3kklA:
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.
3lkb PROBABLE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER, AMINO
ACID BINDING PROTEIN

(Thermus
thermophilus) 		PF13458
(Peripla_BP_6) 		5 ALA A 167
VAL A 146
ILE A 137
VAL A 177
ILE A 174
 None
 0.85A 3tl9B-3lkbA:
undetectable		 3tl9B-3lkbA:
15.32
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.
3lsc TRIAZINE HYDROLASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		6 LEU A 383
ALA A 389
VAL A  33
ILE A  48
VAL A  35
ILE A  32
 None
 1.10A 3tl9B-3lscA:
undetectable		 3tl9B-3lscA:
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.
3mos TRANSKETOLASE

(Homo sapiens) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 LEU A 412
GLY A 466
ILE A 405
VAL A 370
ILE A 410
 None
 0.87A 3tl9B-3mosA:
undetectable		 3tl9B-3mosA:
11.82
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) 		7 ARG A   8
LEU A  23
ALA A  28
VAL A  32
GLY A  49
PRO A  81
VAL A  82
 None
 0.63A 3tl9B-3mwsA:
18.7		 3tl9B-3mwsA:
79.80
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) 		6 GLY A  27
ALA A  28
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 None
 0.95A 3tl9B-3mwsA:
18.7		 3tl9B-3mwsA:
79.80
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) 		11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.41A 3tl9B-3mwsA:
18.7		 3tl9B-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.
3p4e PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Vibrio cholerae) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		6 LEU A 104
VAL A  60
ILE A 170
GLY A 100
ILE A  97
VAL A 162
 None
 1.50A 3tl9B-3p4eA:
undetectable		 3tl9B-3p4eA:
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.
3pv2 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 287
ALA A 286
VAL A 321
GLY A 249
ILE A 323
 None
 0.84A 3tl9B-3pv2A:
undetectable		 3tl9B-3pv2A:
13.39
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.
1hm7 PENTALENENE SYNTHASE

(Streptomyces
exfoliatus) 		no annotation 4 ASP A  81
ASP A  80
GLY A  85
THR A  94
 None
 1.37A 3tl9B-1hm7A:
undetectable		 3tl9B-1hm7A:
15.15
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) 		4 ASP A  29
ASP A  30
GLY A  48
THR A  80
 A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 (-4.1A)
None
 0.37A 3tl9B-1hvcA:
13.1		 3tl9B-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) 		4 ASP A  29
ASP A  30
GLY A  48
THR A  80
 A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 (-3.6A)
None
 0.40A 3tl9B-1hvcA:
13.1		 3tl9B-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.
1iyx ENOLASE

(Enterococcus
hirae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ASP A 291
ASP A 294
GLY A 289
THR A 302
 None
 1.21A 3tl9B-1iyxA:
undetectable		 3tl9B-1iyxA:
13.59
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.
1kfi PHOSPHOGLUCOMUTASE 1

(Paramecium
tetraurelia) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 ASP A 310
ASP A  66
GLY A  64
THR A 205
 ZN  A 700 ( 2.3A)
None
None
None
 1.36A 3tl9B-1kfiA:
undetectable		 3tl9B-1kfiA:
10.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1li7 CYSTEINYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF01406
(tRNA-synt_1e)
PF09190
(DALR_2) 		4 ASP A  72
ASP A  71
GLY A 204
THR A 115
 None
 1.01A 3tl9B-1li7A:
undetectable		 3tl9B-1li7A:
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.
1rxw FLAP
STRUCTURE-SPECIFIC
ENDONUCLEASE

(Archaeoglobus
fulgidus) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		4 ASP A 235
ASP A 174
GLY A 152
THR A 168
 None
 1.33A 3tl9B-1rxwA:
undetectable		 3tl9B-1rxwA:
14.83
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) 		4 ASP A  29
ASP A  30
GLY A  48
THR A  80
 None
 0.15A 3tl9B-1sivA:
17.7		 3tl9B-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.
1vma CELL DIVISION
PROTEIN FTSY

(Thermotoga
maritima) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		4 ASP A 129
ASP A 181
GLY A  99
THR A 214
 None
 0.90A 3tl9B-1vmaA:
undetectable		 3tl9B-1vmaA:
18.42
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.
1x90 INVERTASE/PECTIN
METHYLESTERASE
INHIBITOR FAMILY
PROTEIN

(Arabidopsis
thaliana) 		PF04043
(PMEI) 		4 ASP A 113
ASP A 114
GLY A 107
THR A  48
 None
 1.22A 3tl9B-1x90A:
undetectable		 3tl9B-1x90A:
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.
1xhb POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 1

(Mus musculus) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		4 ASP A 301
ASP A 299
GLY A 202
THR A 206
 None
 1.21A 3tl9B-1xhbA:
undetectable		 3tl9B-1xhbA:
14.14
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.
1xrc S-ADENOSYLMETHIONINE
SYNTHETASE

(Escherichia
coli) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 ASP A  16
ASP A  20
GLY A  13
THR A  71
 None
 1.06A 3tl9B-1xrcA:
undetectable		 3tl9B-1xrcA:
14.71
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.
1xwi SKD1 PROTEIN

(Homo sapiens) 		PF00004
(AAA)
PF09336
(Vps4_C) 		4 ASP A 378
ASP A 379
GLY A 367
THR A 382
 None
 1.40A 3tl9B-1xwiA:
undetectable		 3tl9B-1xwiA:
16.24
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.
2ag1 BENZALDEHYDE LYASE

(Pseudomonas
fluorescens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 ASP A 304
ASP A 302
GLY A 309
THR A 284
 None
 1.34A 3tl9B-2ag1A:
undetectable		 3tl9B-2ag1A:
12.40
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.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		4 ASP A 464
ASP A 463
GLY A 199
THR A  79
 None
None
FMT  A1802 (-3.1A)
None
 1.36A 3tl9B-2c4mA:
undetectable		 3tl9B-2c4mA:
10.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d4w GLYCEROL KINASE

(Cellulomonas
sp.) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 ASP A 197
ASP A 195
GLY A 128
THR A 191
 None
 0.92A 3tl9B-2d4wA:
undetectable		 3tl9B-2d4wA:
13.35
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.
2drw D-AMINO ACID AMIDASE

(Ochrobactrum
anthropi) 		PF00144
(Beta-lactamase) 		4 ASP A 185
ASP A 251
GLY A  52
THR A  34
 None
 1.34A 3tl9B-2drwA:
undetectable		 3tl9B-2drwA:
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.
2fym ENOLASE

(Escherichia
coli) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ASP A 293
ASP A 296
GLY A 291
THR A 304
 None
 1.19A 3tl9B-2fymA:
undetectable		 3tl9B-2fymA:
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.
2glj PROBABLE M18-FAMILY
AMINOPEPTIDASE 1

(Clostridium
acetobutylicum) 		PF02127
(Peptidase_M18) 		4 ASP A 293
ASP A 107
GLY A 298
THR A 418
 None
 1.38A 3tl9B-2gljA:
undetectable		 3tl9B-2gljA:
12.15
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.
2grv LPQW

(Mycolicibacterium
smegmatis) 		PF00496
(SBP_bac_5) 		4 ASP A 317
ASP A 318
GLY A 314
THR A 567
 None
 0.88A 3tl9B-2grvA:
undetectable		 3tl9B-2grvA:
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.
2gs5 CONSERVED
HYPOTHETICAL PROTEIN

(Corynebacterium
diphtheriae) 		PF02622
(DUF179) 		4 ASP A 172
ASP A 176
GLY A 169
THR A 166
 None
 1.38A 3tl9B-2gs5A:
undetectable		 3tl9B-2gs5A:
22.01
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.
2im5 NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Porphyromonas
gingivalis) 		PF04095
(NAPRTase) 		4 ASP A 306
ASP A 275
GLY A 329
THR A 246
 None
 1.32A 3tl9B-2im5A:
undetectable		 3tl9B-2im5A:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iny HEXON PROTEIN

(Fowl
aviadenovirus A) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		4 ASP A 195
ASP A 197
GLY A 200
THR A 235
 None
 1.34A 3tl9B-2inyA:
undetectable		 3tl9B-2inyA:
6.38
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.
2ntb PECTINESTERASE A

(Dickeya
dadantii) 		PF01095
(Pectinesterase) 		4 ASP A 178
ASP A 199
GLY A 203
THR A 289
 None
 1.35A 3tl9B-2ntbA:
undetectable		 3tl9B-2ntbA:
14.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p6w PUTATIVE
GLYCOSYLTRANSFERASE
(MANNOSYLTRANSFERASE
) INVOLVED IN
GLYCOSYLATING THE
PBCV-1 MAJOR CAPSID
PROTEIN

(Paramecium
bursaria
Chlorella virus
1) 		PF05637
(Glyco_transf_34) 		4 ASP A  78
ASP A  80
GLY A  11
THR A  17
 MN  A 214 ( 3.2A)
MN  A 214 ( 2.4A)
None
None
 1.36A 3tl9B-2p6wA:
undetectable		 3tl9B-2p6wA:
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.
2p76 GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Staphylococcus
aureus) 		PF03009
(GDPD) 		4 ASP A 255
ASP A 258
GLY A 253
THR A 264
 None
 1.22A 3tl9B-2p76A:
undetectable		 3tl9B-2p76A:
18.52
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.
2qtk PROBABLE PORIN

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		4 ASP A 245
ASP A 272
GLY A 274
THR A 332
 None
 1.11A 3tl9B-2qtkA:
undetectable		 3tl9B-2qtkA:
14.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r39 FIXG-RELATED PROTEIN

(Vibrio
parahaemolyticus) 		PF11614
(FixG_C) 		4 ASP A 453
ASP A 427
GLY A 451
THR A 462
 None
 1.40A 3tl9B-2r39A:
undetectable		 3tl9B-2r39A:
18.02
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.
2ral SERINE-ASPARTATE
REPEAT-CONTAINING
PROTEIN G

(Staphylococcus
epidermidis) 		PF10425
(SdrG_C_C) 		4 ASP A 378
ASP A 375
GLY A 324
THR A 359
 None
 1.30A 3tl9B-2ralA:
undetectable		 3tl9B-2ralA:
17.00
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.
2rjb UNCHARACTERIZED
PROTEIN

(Shigella
flexneri) 		PF07063
(DUF1338) 		4 ASP A 307
ASP A 308
GLY A 302
THR A 332
 None
 1.07A 3tl9B-2rjbA:
undetectable		 3tl9B-2rjbA:
13.42
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) 		4 ASP A  29
ASP A  30
GLY A  48
THR A  80
 AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
None
 0.26A 3tl9B-2rkfA:
19.6		 3tl9B-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.
2x30 PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
coelicolor) 		PF00977
(His_biosynth) 		4 ASP A  62
ASP A  53
GLY A  59
THR A 105
 None
None
None
SO4  A1241 (-3.4A)
 1.37A 3tl9B-2x30A:
undetectable		 3tl9B-2x30A:
18.03
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.
2x31 MAGNESIUM-CHELATASE
60 KDA SUBUNIT

(Rhodobacter
capsulatus) 		PF13519
(VWA_2) 		4 ASP A 113
ASP A  16
GLY A  82
THR A  55
 None
 1.09A 3tl9B-2x31A:
undetectable		 3tl9B-2x31A:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ze4 PHOSPHOLIPASE D

(Streptomyces
antibioticus) 		PF13091
(PLDc_2) 		4 ASP A 189
ASP A 190
GLY A 186
THR A  50
 None
 1.18A 3tl9B-2ze4A:
undetectable		 3tl9B-2ze4A:
11.35
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.
3c8z CYSTEINYL-TRNA
SYNTHETASE

(Mycolicibacterium
smegmatis) 		PF01406
(tRNA-synt_1e) 		4 ASP A  87
ASP A  86
GLY A 226
THR A 130
 None
 0.91A 3tl9B-3c8zA:
undetectable		 3tl9B-3c8zA:
13.27
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.
3dlj BETA-ALA-HIS
DIPEPTIDASE

(Homo sapiens) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 ASP A 139
ASP A 202
GLY A 445
THR A 214
 ZN  A2001 ( 2.4A)
ZN  A2002 ( 2.1A)
None
None
 1.33A 3tl9B-3dljA:
undetectable		 3tl9B-3dljA:
11.23
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.
3eey PUTATIVE RRNA
METHYLASE

(Ruminiclostridium
thermocellum) 		PF06962
(rRNA_methylase) 		4 ASP A  34
ASP A  26
GLY A  30
THR A  62
 SAM  A 300 (-3.9A)
SAM  A 300 ( 4.5A)
SAM  A 300 (-3.4A)
None
 1.36A 3tl9B-3eeyA:
undetectable		 3tl9B-3eeyA:
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.
3eq2 PROBABLE
TWO-COMPONENT
RESPONSE REGULATOR

(Pseudomonas
aeruginosa) 		PF00072
(Response_reg)
PF07228
(SpoIIE) 		4 ASP A 383
ASP A 192
GLY A 213
THR A 268
 None
 1.08A 3tl9B-3eq2A:
undetectable		 3tl9B-3eq2A:
14.40
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.
3fah ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		4 ASP A 198
ASP A 194
GLY A 191
THR A 184
 None
 0.90A 3tl9B-3fahA:
undetectable		 3tl9B-3fahA:
8.48
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.
3gyb TRANSCRIPTIONAL
REGULATORS
(LACI-FAMILY
TRANSCRIPTIONAL
REGULATORY PROTEIN)

(Corynebacterium
glutamicum) 		PF13377
(Peripla_BP_3) 		4 ASP A 286
ASP A 287
GLY A 291
THR A 316
 None
MG  A   1 (-2.6A)
None
None
 1.09A 3tl9B-3gybA:
undetectable		 3tl9B-3gybA:
16.78
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.
3hno PYROPHOSPHATE-DEPEND
ENT
PHOSPHOFRUCTOKINASE

(Nitrosospira
multiformis) 		PF00365
(PFK) 		4 ASP A 144
ASP A 146
GLY A 113
THR A 150
 None
 1.32A 3tl9B-3hnoA:
undetectable		 3tl9B-3hnoA:
12.23
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.
3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 ASP A  16
ASP B  44
GLY A 236
THR A 207
 None
None
None
MG  A 426 (-3.8A)
 1.28A 3tl9B-3hrdA:
undetectable		 3tl9B-3hrdA:
11.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k2j PROTEIN POLYBROMO-1

(Homo sapiens) 		PF00439
(Bromodomain) 		4 ASP A 460
ASP A 459
GLY A 346
THR A 412
 None
None
CL  A   1 (-4.3A)
None
 1.39A 3tl9B-3k2jA:
undetectable		 3tl9B-3k2jA:
21.26
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.
3k2k PUTATIVE
CARBOXYPEPTIDASE

(Burkholderia
mallei) 		PF00246
(Peptidase_M14) 		4 ASP A 272
ASP A 270
GLY A 314
THR A 342
 None
 1.39A 3tl9B-3k2kA:
undetectable		 3tl9B-3k2kA:
12.75
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.
3k2q PYROPHOSPHATE-DEPEND
ENT
PHOSPHOFRUCTOKINASE

(Marinobacter
hydrocarbonoclasticus) 		PF00365
(PFK) 		4 ASP A 144
ASP A 146
GLY A 113
THR A 150
 None
 1.27A 3tl9B-3k2qA:
undetectable		 3tl9B-3k2qA:
14.57
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.
3la6 TYROSINE-PROTEIN
KINASE WZC

(Escherichia
coli) 		PF13614
(AAA_31) 		4 ASP A 564
ASP A 642
GLY A 533
THR A 662
 CA  A1001 (-4.6A)
CA  A1001 ( 4.0A)
None
None
 1.14A 3tl9B-3la6A:
undetectable		 3tl9B-3la6A:
19.85
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.
3lmd GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Corynebacterium
glutamicum) 		PF00348
(polyprenyl_synt) 		4 ASP A 242
ASP A 239
GLY A  18
THR A 345
 None
 1.36A 3tl9B-3lmdA:
undetectable		 3tl9B-3lmdA:
15.36
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.
3lqu 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE

(Salmonella
enterica) 		PF00926
(DHBP_synthase) 		4 ASP A  34
ASP A  33
GLY A 151
THR A 157
 None
 1.38A 3tl9B-3lquA:
undetectable		 3tl9B-3lquA:
18.48
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.
3muo PROLYL ENDOPEPTIDASE

(Aeromonas
caviae) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 ASP A 623
ASP A 622
GLY A 148
THR A 653
 None
 1.27A 3tl9B-3muoA:
undetectable		 3tl9B-3muoA:
10.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ncy ADIC

(Salmonella
enterica) 		PF13520
(AA_permease_2) 		4 ASP A 306
ASP A 307
GLY A  71
THR A  89
 None
 1.28A 3tl9B-3ncyA:
undetectable		 3tl9B-3ncyA:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nsj PERFORIN-1

(Mus musculus) 		PF00168
(C2)
PF01823
(MACPF) 		4 ASP A 227
ASP A 339
GLY A 230
THR A 172
 None
 1.34A 3tl9B-3nsjA:
undetectable		 3tl9B-3nsjA:
11.64
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.
3o75 FRUCTOSE TRANSPORT
SYSTEM REPRESSOR
FRUR

(Pseudomonas
putida) 		PF00532
(Peripla_BP_1) 		4 ASP A 235
ASP A 234
GLY A 238
THR A 257
 None
 1.08A 3tl9B-3o75A:
undetectable		 3tl9B-3o75A:
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.
3rxz POLYSACCHARIDE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		PF01522
(Polysacc_deac_1) 		4 ASP A  29
ASP A  31
GLY A 105
THR A  38
 ZN  A 299 ( 4.4A)
ZN  A 299 (-2.1A)
None
None
 1.30A 3tl9B-3rxzA:
undetectable		 3tl9B-3rxzA:
15.95
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.
3sy6 FIMBRIAL PROTEIN
BF1861

(Bacteroides
fragilis) 		PF13149
(Mfa_like_1) 		4 ASP A  82
ASP A  83
GLY A  80
THR A  29
 None
 1.08A 3tl9B-3sy6A:
undetectable		 3tl9B-3sy6A:
15.96
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) 		4 ASP A  29
ASP A  30
GLY A  49
THR A  80
 017  A 201 (-3.5A)
017  A 201 (-4.2A)
017  A 201 (-4.0A)
None
 0.88A 3tl9B-3t3cA:
17.1		 3tl9B-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) 		4 ASP A  29
ASP A  30
GLY A  48
THR A  80
 017  A 201 (-3.3A)
017  A 201 (-4.6A)
None
None
 0.48A 3tl9B-3ttpA:
18.2		 3tl9B-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) 		4 ASP A  29
ASP A  30
GLY A  48
THR A  80
 017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 ( 4.6A)
None
 0.37A 3tl9B-3u7sA:
18.6		 3tl9B-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.
3ue9 ADENYLOSUCCINATE
SYNTHETASE

(Burkholderia
thailandensis) 		PF00709
(Adenylsucc_synt) 		4 ASP A 296
ASP A 294
GLY A 284
THR A 281
 None
 1.06A 3tl9B-3ue9A:
undetectable		 3tl9B-3ue9A:
13.39
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.
3uj2 ENOLASE 1

(Anaerostipes
caccae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ASP A 293
ASP A 296
GLY A 291
THR A 304
 None
 1.16A 3tl9B-3uj2A:
undetectable		 3tl9B-3uj2A:
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.
3uk1 TRANSKETOLASE

(Burkholderia
thailandensis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ASP A 514
ASP A 614
GLY A 563
THR A 584
 None
 1.32A 3tl9B-3uk1A:
undetectable		 3tl9B-3uk1A:
9.37
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.
3wbn PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF01554
(MatE) 		4 ASP A  41
ASP A 184
GLY A 197
THR A 190
 None
 1.17A 3tl9B-3wbnA:
undetectable		 3tl9B-3wbnA:
12.95
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.
4a3r ENOLASE

(Bacillus
subtilis) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ASP A 291
ASP A 294
GLY A 289
THR A 302
 None
 1.20A 3tl9B-4a3rA:
undetectable		 3tl9B-4a3rA:
13.30
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.
4b6z FAMILY M14
UNASSIGNED PEPTIDASE

(Burkholderia
cenocepacia) 		PF00246
(Peptidase_M14) 		4 ASP A 272
ASP A 270
GLY A 314
THR A 342
 None
 1.37A 3tl9B-4b6zA:
undetectable		 3tl9B-4b6zA:
13.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bq4 B-AGARASE

(Saccharophagus
degradans) 		PF02449
(Glyco_hydro_42) 		4 ASP A 765
ASP A 746
GLY A 704
THR A 750
 GOL  A1798 (-4.9A)
GOL  A1798 (-3.8A)
GOL  A1798 (-3.7A)
None
 1.07A 3tl9B-4bq4A:
undetectable		 3tl9B-4bq4A:
8.90
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.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis) 		PF00141
(peroxidase) 		4 ASP A 511
ASP A 509
GLY A 504
THR A 475
 None
 1.19A 3tl9B-4c51A:
undetectable		 3tl9B-4c51A:
9.60
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.
4da9 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		4 ASP A  67
ASP A  64
GLY A 120
THR A  12
 None
 1.21A 3tl9B-4da9A:
undetectable		 3tl9B-4da9A:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ewj ENOLASE 2

(Streptococcus
suis) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ASP A 296
ASP A 299
GLY A 294
THR A 307
 None
 1.23A 3tl9B-4ewjA:
undetectable		 3tl9B-4ewjA:
16.03
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.
4j5u SERINE
HYDROXYMETHYLTRANSFE
RASE

(Rickettsia
rickettsii) 		PF00464
(SHMT) 		4 ASP A 307
ASP A 321
GLY A 326
THR A 358
 None
 1.33A 3tl9B-4j5uA:
undetectable		 3tl9B-4j5uA:
15.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l9z MALYL-COA LYASE

(Rhodobacter
sphaeroides) 		PF03328
(HpcH_HpaI) 		4 ASP A 229
ASP A 226
GLY A 181
THR A 178
 None
 1.34A 3tl9B-4l9zA:
undetectable		 3tl9B-4l9zA:
13.52
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.
4l9z MALYL-COA LYASE

(Rhodobacter
sphaeroides) 		PF03328
(HpcH_HpaI) 		4 ASP A 229
ASP A 226
GLY A 182
THR A 178
 None
 1.29A 3tl9B-4l9zA:
undetectable		 3tl9B-4l9zA:
13.52
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.
4m8d PUTATIVE
UNCHARACTERIZED
PROTEIN

(Labrenzia
aggregata) 		PF04199
(Cyclase) 		4 ASP A 121
ASP A 119
GLY A 173
THR A 125
 None
CA  A 303 ( 4.8A)
None
None
 1.39A 3tl9B-4m8dA:
undetectable		 3tl9B-4m8dA:
18.32
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.
4o3s DNA POLYMERASE ETA

(Homo sapiens) 		PF00817
(IMS)
PF11799
(IMS_C) 		4 ASP A  66
ASP A  67
GLY A  46
THR A  60
 None
 1.06A 3tl9B-4o3sA:
undetectable		 3tl9B-4o3sA:
13.48
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.
4p5n HYPOTHETICAL PROTEIN
CNAG_02591

(Cryptococcus
neoformans) 		no annotation 4 ASP A  75
ASP A  73
GLY A  31
THR A  22
 None
None
None
CD  A 101 (-2.8A)
 1.28A 3tl9B-4p5nA:
undetectable		 3tl9B-4p5nA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4roq MALYL-COA
LYASE/BETA-METHYLMAL
YL-COA LYASE

(Methylobacterium
extorquens) 		PF03328
(HpcH_HpaI) 		4 ASP A 234
ASP A 231
GLY A 180
THR A 177
 None
 1.39A 3tl9B-4roqA:
undetectable		 3tl9B-4roqA:
14.86
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.
4roq MALYL-COA
LYASE/BETA-METHYLMAL
YL-COA LYASE

(Methylobacterium
extorquens) 		PF03328
(HpcH_HpaI) 		4 ASP A 234
ASP A 231
GLY A 181
THR A 177
 None
 1.28A 3tl9B-4roqA:
undetectable		 3tl9B-4roqA:
14.86
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.
4uoz BETA-GALACTOSIDASE

(Bifidobacterium
animalis) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 ASP A 631
ASP A 629
GLY A 635
THR A 458
 None
 1.29A 3tl9B-4uozA:
undetectable		 3tl9B-4uozA:
11.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wr3 ALANINE RACEMASE,
BIOSYNTHETIC

(Escherichia
coli) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 ASP A 316
ASP A 320
GLY A 292
THR A 238
 None
 1.20A 3tl9B-4wr3A:
undetectable		 3tl9B-4wr3A:
15.66
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.
4y1g UNCHARACTERIZED
PROTEIN SAV1875

(Staphylococcus
aureus) 		PF01965
(DJ-1_PfpI) 		4 ASP A 115
ASP A 116
GLY A  88
THR A 101
 None
 1.30A 3tl9B-4y1gA:
undetectable		 3tl9B-4y1gA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zpl PROTEIN PCDHB1

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 ASP A 131
ASP A 188
GLY A 196
THR A 143
 CA  A 415 (-2.5A)
CA  A 415 (-3.6A)
None
NAG  A 401 (-4.7A)
 1.38A 3tl9B-4zplA:
undetectable		 3tl9B-4zplA:
14.52
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.
4zpq MCG133388, ISOFORM
CRA_F

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 ASP A 130
ASP A 187
GLY A 195
THR A 142
 CA  A 404 (-2.4A)
CA  A 404 (-3.8A)
None
None
 1.39A 3tl9B-4zpqA:
undetectable		 3tl9B-4zpqA:
16.31
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) 		4 ASP A  29
ASP A  30
GLY A  48
THR A  80
 None
 0.42A 3tl9B-5b18A:
17.0		 3tl9B-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.
5b8h TYPE III
PANTOTHENATE KINASE

(Burkholderia
cenocepacia) 		PF03309
(Pan_kinase) 		4 ASP A 230
ASP A 231
GLY A 226
THR A 131
 None
None
2PN  A 301 ( 4.9A)
None
 1.31A 3tl9B-5b8hA:
undetectable		 3tl9B-5b8hA:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5boe ENOLASE

(Staphylococcus
aureus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ASP A 295
ASP A 298
GLY A 293
THR A 306
 None
 1.23A 3tl9B-5boeA:
undetectable		 3tl9B-5boeA:
15.20
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.
5cvw BIFUNCTIONAL
HEMOLYSIN/ADENYLATE
CYCLASE

(Bordetella
pertussis) 		PF00353
(HemolysinCabind)
PF06594
(HCBP_related) 		4 ASP A1560
ASP A1579
GLY A1597
THR A1641
 None
CA  A1702 ( 2.4A)
CA  A1703 ( 4.5A)
None
 1.26A 3tl9B-5cvwA:
undetectable		 3tl9B-5cvwA:
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.
5cyr RNA-DEPENDENT RNA
POLYMERASE

(Thosea asigna
virus) 		no annotation 4 ASP B 351
ASP B 447
GLY B 375
THR B 381
 ATP  B 701 (-2.4A)
None
None
None
 1.34A 3tl9B-5cyrB:
undetectable		 3tl9B-5cyrB:
8.95
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.
5eo3 PROTEIN PELOTA
HOMOLOG

(Homo sapiens) 		PF03465
(eRF1_3) 		4 ASP A 279
ASP A 280
GLY A 273
THR A 342
 None
 1.33A 3tl9B-5eo3A:
undetectable		 3tl9B-5eo3A:
20.80
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.
5erd DESMOGLEIN-2

(Homo sapiens) 		PF00028
(Cadherin) 		4 ASP A 250
ASP A 248
GLY A 253
THR A 276
 CA  A 619 ( 3.6A)
CA  A 621 (-2.2A)
None
None
 1.32A 3tl9B-5erdA:
undetectable		 3tl9B-5erdA:
11.55
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.
5f56 SINGLE-STRANDED-DNA-
SPECIFIC EXONUCLEASE

(Deinococcus
radiodurans) 		PF01368
(DHH)
PF02272
(DHHA1) 		4 ASP A  81
ASP A  83
GLY A  78
THR A  90
 MN  A 804 (-1.9A)
MN  A 805 (-3.3A)
None
None
 1.39A 3tl9B-5f56A:
undetectable		 3tl9B-5f56A:
9.83
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.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		4 ASP A 612
ASP A 610
GLY A 572
THR A 592
 ZN  A1804 (-2.1A)
K  A1802 (-3.2A)
None
None
 1.09A 3tl9B-5g0hA:
undetectable		 3tl9B-5g0hA:
10.34
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.
5gne LEUCINE
AMINOPEPTIDASE

(Legionella
pneumophila) 		PF04389
(Peptidase_M28) 		4 ASP A 227
ASP A 288
GLY A 211
THR A 351
 ZN  A 402 ( 4.8A)
ZN  A 402 (-1.9A)
None
None
 1.35A 3tl9B-5gneA:
undetectable		 3tl9B-5gneA:
14.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gqf LACTO-N-BIOSIDASE

(Bifidobacterium
longum) 		no annotation 4 ASP A 179
ASP A 178
GLY A 239
THR A 159
 None
CA  A 701 (-2.9A)
None
None
 1.37A 3tl9B-5gqfA:
undetectable		 3tl9B-5gqfA:
10.41
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT EPSILON

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		4 ASP e 390
ASP e 246
GLY e 228
THR e 405
 None
 1.33A 3tl9B-5gw5e:
undetectable		 3tl9B-5gw5e:
11.91
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.
5j5j DESMOCOLLIN-2,DESMOG
LEIN-2

(Homo sapiens) 		PF00028
(Cadherin) 		4 ASP A 248
ASP A 246
GLY A 251
THR A 274
 CA  A 626 ( 3.7A)
CA  A 627 (-2.2A)
None
None
 1.29A 3tl9B-5j5jA:
undetectable		 3tl9B-5j5jA:
12.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lw3 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 6

(Azotobacter
vinelandii) 		no annotation 4 ASP A  17
ASP A  18
GLY A  14
THR A  73
 None
 1.36A 3tl9B-5lw3A:
undetectable		 3tl9B-5lw3A:
16.01
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.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus) 		no annotation 4 ASP A 329
ASP A 327
GLY A 176
THR A 324
 None
 1.29A 3tl9B-5n7qA:
6.8		 3tl9B-5n7qA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t3p PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7

(Homo sapiens) 		PF00293
(NUDIX) 		4 ASP A  80
ASP A  83
GLY A  77
THR A 123
 None
 0.91A 3tl9B-5t3pA:
undetectable		 3tl9B-5t3pA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t88 PROLYL ENDOPEPTIDASE

(Pyrococcus
furiosus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 ASP A 561
ASP A 560
GLY A 591
THR A 588
 None
 1.09A 3tl9B-5t88A:
undetectable		 3tl9B-5t88A:
11.62
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.
5ugj 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Neisseria
meningitidis) 		no annotation 4 ASP A 105
ASP A 104
GLY A 102
THR A  82
 None
 1.22A 3tl9B-5ugjA:
undetectable		 3tl9B-5ugjA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vcs ALPHA-1,6-MANNOSYL-G
LYCOPROTEIN
2-BETA-N-ACETYLGLUCO
SAMINYLTRANSFERASE

(Homo sapiens) 		no annotation 4 ASP A 433
ASP A 436
GLY A 430
THR A 349
 None
None
NAG  A 501 ( 3.2A)
None
 1.08A 3tl9B-5vcsA:
undetectable		 3tl9B-5vcsA:
29.21
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) 		4 ASP A  29
ASP A  30
GLY A  48
THR A  80
 None
 0.66A 3tl9B-6upjA:
17.1		 3tl9B-6upjA:
49.49