SIMILAR PATTERNS OF AMINO ACIDS FOR 3T3C_A_017A201

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.
1aql BILE-SALT ACTIVATED
LIPASE

(Bos taurus) 		PF00135
(COesterase) 		4 ASP A 318
GLY A 432
ALA A 433
ASP A 437
 None
 0.74A 3t3cA-1aqlA:
undetectable		 3t3cA-1aqlA:
11.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b4e PROTEIN
(5-AMINOLEVULINIC
ACID DEHYDRATASE)

(Escherichia
coli) 		PF00490
(ALAD) 		4 GLY A 158
ALA A 159
ASP A 160
ILE A 105
 None
 0.62A 3t3cA-1b4eA:
undetectable		 3t3cA-1b4eA:
15.43
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.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		4 GLY A 313
ASP A 343
VAL A 347
ILE A 130
 FAD  A 600 (-3.5A)
FAD  A 600 (-4.4A)
None
None
 0.61A 3t3cA-1d4eA:
undetectable		 3t3cA-1d4eA:
12.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e43 ALPHA-AMYLASE

(Bacillus
amyloliquefaciens) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 GLY A 106
ALA A 107
ASP A 108
ASP A 138
 None
 0.46A 3t3cA-1e43A:
undetectable		 3t3cA-1e43A:
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.
1ecg GLUTAMINE
PHOSPHORIBOSYLPYROPH
OSPHATE
AMIDOTRANSFERASE

(Escherichia
coli) 		PF00156
(Pribosyltran)
PF13522
(GATase_6) 		4 GLY A 430
ALA A 431
ASP A 432
ILE A 378
 None
 0.75A 3t3cA-1ecgA:
undetectable		 3t3cA-1ecgA:
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.
1f76 DIHYDROOROTATE
DEHYDROGENASE
(QUINONE)

(Escherichia
coli) 		PF01180
(DHO_dh) 		4 GLY A 119
ASP A  67
VAL A 127
ILE A 140
 None
 0.76A 3t3cA-1f76A:
undetectable		 3t3cA-1f76A:
14.63
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) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  50
 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 ( 4.4A)
A79  A 800 (-3.8A)
 0.47A 3t3cA-1hvcA:
12.5		 3t3cA-1hvcA:
40.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  50
 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 ( 4.3A)
A79  A 800 ( 4.0A)
 0.51A 3t3cA-1hvcA:
12.5		 3t3cA-1hvcA:
40.39
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.
1jl5 OUTER PROTEIN YOPM

(Yersinia pestis) 		PF12468
(TTSSLRR) 		4 ALA A1180
ASP A1161
ASP A1159
ILE A1220
 None
 0.72A 3t3cA-1jl5A:
undetectable		 3t3cA-1jl5A:
10.37
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.
1jqk CARBON MONOXIDE
DEHYDROGENASE

(Rhodospirillum
rubrum) 		PF03063
(Prismane) 		4 GLY A 365
ALA A 366
VAL A 334
ILE A 346
 None
 0.72A 3t3cA-1jqkA:
undetectable		 3t3cA-1jqkA:
10.32
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.
1ldn L-LACTATE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ASP A  46
GLY A  20
ALA A  21
ASP A  90
 None
 0.71A 3t3cA-1ldnA:
undetectable		 3t3cA-1ldnA:
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.
1los OROTIDINE
MONOPHOSPHATE
DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF00215
(OMPdecase) 		4 GLY A  91
ALA A  92
ASP A  93
ILE A  55
 None
 0.67A 3t3cA-1losA:
undetectable		 3t3cA-1losA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p2f RESPONSE REGULATOR

(Thermotoga
maritima) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		4 GLY A  93
ALA A  94
ASP A  95
ILE A  61
 None
 0.69A 3t3cA-1p2fA:
undetectable		 3t3cA-1p2fA:
19.35
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) 		5 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
 None
 0.49A 3t3cA-1q9pA:
9.3		 3t3cA-1q9pA:
73.68
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) 		5 GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
 None
 0.48A 3t3cA-1q9pA:
9.3		 3t3cA-1q9pA:
73.68
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  50
 None
 0.48A 3t3cA-1sivA:
18.4		 3t3cA-1sivA:
49.49
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.
1tkk SIMILAR TO
CHLOROMUCONATE
CYCLOISOMERASE

(Bacillus
subtilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A 164
ASP A 166
ASP A 167
ILE A 175
 None
 0.71A 3t3cA-1tkkA:
undetectable		 3t3cA-1tkkA:
14.96
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.
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01039
(Carboxyl_trans) 		4 GLY A 424
ALA A 425
ASP A 426
ILE A 354
 None
 0.47A 3t3cA-1x0uA:
undetectable		 3t3cA-1x0uA:
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.
1x7f OUTER SURFACE
PROTEIN

(Bacillus cereus) 		PF05913
(DUF871) 		4 GLY A  92
ALA A  93
ASP A  94
ILE A  55
 None
 0.55A 3t3cA-1x7fA:
undetectable		 3t3cA-1x7fA:
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.
1y7o ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Streptococcus
pneumoniae) 		PF00574
(CLP_protease) 		4 ASP A  50
ALA A  84
ASP A  85
ASP A  57
 None
 0.57A 3t3cA-1y7oA:
undetectable		 3t3cA-1y7oA:
20.09
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.
1ytq BETA CRYSTALLIN B2

(Homo sapiens) 		PF00030
(Crystall) 		4 ASP A 125
ASP A 126
VAL A 128
ILE A 109
 None
 0.73A 3t3cA-1ytqA:
undetectable		 3t3cA-1ytqA:
18.23
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.
2di4 CELL DIVISION
PROTEIN FTSH HOMOLOG

(Aquifex
aeolicus) 		PF01434
(Peptidase_M41) 		4 GLY A 492
ALA A 493
ASP A 496
ILE A 417
 None
None
HG  A1001 (-2.3A)
None
 0.72A 3t3cA-2di4A:
undetectable		 3t3cA-2di4A:
19.09
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.
2eja UROPORPHYRINOGEN
DECARBOXYLASE

(Aquifex
aeolicus) 		PF01208
(URO-D) 		4 GLY A 192
ALA A 193
ASP A 194
ILE A 120
 None
 0.71A 3t3cA-2ejaA:
undetectable		 3t3cA-2ejaA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
 0.26A 3t3cA-2fmbA:
15.2		 3t3cA-2fmbA:
29.52
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.
2fq0 ACYL CARRIER PROTEIN

(Plasmodium
falciparum) 		PF00550
(PP-binding) 		4 GLY A  34
ALA A  35
ASP A  36
ASP A  39
 PNS  A 137 ( 3.2A)
None
PNS  A 137 (-2.3A)
None
 0.74A 3t3cA-2fq0A:
undetectable		 3t3cA-2fq0A:
21.10
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.
2gwc GLUTAMATE CYSTEINE
LIGASE

(Brassica juncea) 		PF04107
(GCS2) 		4 GLY A 388
ALA A 389
ASP A 390
ILE A 270
 None
 0.50A 3t3cA-2gwcA:
undetectable		 3t3cA-2gwcA:
13.14
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.
2nmp CYSTATHIONINE
GAMMA-LYASE

(Homo sapiens) 		PF01053
(Cys_Met_Meta_PP) 		4 GLY A 202
ALA A 203
ASP A 204
ILE A 175
 None
 0.77A 3t3cA-2nmpA:
undetectable		 3t3cA-2nmpA:
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.
2ogj DIHYDROOROTASE

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		4 GLY A 187
ALA A 214
VAL A 209
ILE A 222
 None
 0.76A 3t3cA-2ogjA:
undetectable		 3t3cA-2ogjA:
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.
2okk GLUTAMATE
DECARBOXYLASE 2

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 GLY A 337
ALA A 336
ASP A 364
VAL A 384
 None
None
LLP  A 396 ( 2.6A)
None
 0.68A 3t3cA-2okkA:
undetectable		 3t3cA-2okkA:
13.01
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.
2ppy ENOYL-COA HYDRATASE

(Geobacillus
kaustophilus) 		PF00378
(ECH_1) 		5 GLY A 133
ALA A 132
ASP A 130
VAL A 187
ILE A 173
 None
 1.29A 3t3cA-2ppyA:
undetectable		 3t3cA-2ppyA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qma DIAMINOBUTYRATE-PYRU
VATE TRANSAMINASE
AND
L-2,4-DIAMINOBUTYRAT
E DECARBOXYLASE

(Vibrio
parahaemolyticus) 		PF00282
(Pyridoxal_deC) 		4 GLY A 728
ALA A 727
ASP A 755
VAL A 774
 None
 0.67A 3t3cA-2qmaA:
undetectable		 3t3cA-2qmaA:
10.21
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  50
 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 (-3.8A)
 0.36A 3t3cA-2rkfA:
18.4		 3t3cA-2rkfA:
72.73
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) 		4 ASP A  37
GLY A  39
ALA A  40
ASP A  41
 None
 0.18A 3t3cA-2rspA:
12.8		 3t3cA-2rspA:
31.75
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.
2vn8 RETICULON-4-INTERACT
ING PROTEIN 1

(Homo sapiens) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		4 GLY A 248
ALA A 249
ASP A 250
ASP A 251
 None
 0.63A 3t3cA-2vn8A:
undetectable		 3t3cA-2vn8A:
15.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yvx MG2+ TRANSPORTER
MGTE

(Thermus
thermophilus) 		PF00571
(CBS)
PF01769
(MgtE)
PF03448
(MgtE_N) 		4 ASP A 348
ASP A 351
VAL A 355
ILE A 339
 None
 0.68A 3t3cA-2yvxA:
undetectable		 3t3cA-2yvxA:
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.
2yyt OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Geobacillus
kaustophilus) 		PF00215
(OMPdecase) 		4 GLY A  82
ALA A  83
ASP A  84
ILE A  47
 None
 0.65A 3t3cA-2yytA:
undetectable		 3t3cA-2yytA:
19.50
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.
2ze0 ALPHA-GLUCOSIDASE

(Geobacillus sp.
HTA-462) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 GLY A 349
ALA A 350
VAL A 546
ILE A 460
 None
 0.78A 3t3cA-2ze0A:
undetectable		 3t3cA-2ze0A:
11.53
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.
3be7 ZN-DEPENDENT
ARGININE
CARBOXYPEPTIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 GLY A 317
ASP A 320
ASP A 323
ILE A 272
 GOL  A 502 (-3.6A)
None
None
None
 0.64A 3t3cA-3be7A:
undetectable		 3t3cA-3be7A:
14.10
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.
3bus METHYLTRANSFERASE

(Lechevalieria
aerocolonigenes) 		PF08241
(Methyltransf_11) 		4 ASP A  35
GLY A  37
ALA A  38
ASP A  39
 None
 0.76A 3t3cA-3busA:
undetectable		 3t3cA-3busA:
16.85
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.
3eye PTS SYSTEM
N-ACETYLGALACTOSAMIN
E-SPECIFIC IIB
COMPONENT 1

(Escherichia
coli) 		PF03830
(PTSIIB_sorb) 		4 GLY A 108
ASP A 147
ASP A 151
ILE A 119
 None
 0.76A 3t3cA-3eyeA:
undetectable		 3t3cA-3eyeA:
25.90
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.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		4 GLY A 121
ALA A 122
ASP A 123
ILE A  89
 None
 0.55A 3t3cA-3gveA:
undetectable		 3t3cA-3gveA:
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.
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum) 		PF06838
(Met_gamma_lyase) 		4 GLY A 233
ALA A 234
ASP A 235
ILE A 201
 None
 0.70A 3t3cA-3hvyA:
undetectable		 3t3cA-3hvyA:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		4 GLY A 264
ALA A 265
ASP A 266
ILE A 459
 None
 0.76A 3t3cA-3i5gA:
undetectable		 3t3cA-3i5gA:
8.68
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.
3ift GLYCINE CLEAVAGE
SYSTEM H PROTEIN

(Mycobacterium
tuberculosis) 		PF01597
(GCV_H) 		4 ASP A  95
GLY A  98
ALA A  99
ASP A  84
 None
 0.73A 3t3cA-3iftA:
undetectable		 3t3cA-3iftA:
20.41
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.
3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLY A 256
ALA A 257
ASP A 258
ILE A 230
 None
 0.64A 3t3cA-3ip1A:
undetectable		 3t3cA-3ip1A:
13.09
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
 None
 0.53A 3t3cA-3mwsA:
19.7		 3t3cA-3mwsA:
69.70
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) 		5 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  50
 None
 0.31A 3t3cA-3mwsA:
19.7		 3t3cA-3mwsA:
69.70
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.
3nnn DNA BINDING RESPONSE
REGULATOR D

(Thermotoga
maritima) 		PF00072
(Response_reg) 		4 GLY A  96
ALA A  97
ASP A  98
ILE A  64
 None
 0.78A 3t3cA-3nnnA:
undetectable		 3t3cA-3nnnA:
19.35
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.
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima) 		PF00072
(Response_reg) 		4 GLY A  93
ALA A  94
ASP A  95
ILE A  61
 None
 0.67A 3t3cA-3nnsA:
undetectable		 3t3cA-3nnsA:
21.71
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.
3o85 RIBOSOMAL PROTEIN
L7AE

(Giardia
intestinalis) 		PF01248
(Ribosomal_L7Ae) 		4 GLY A  26
ALA A  27
VAL A  92
ILE A  52
 None
 0.72A 3t3cA-3o85A:
undetectable		 3t3cA-3o85A:
23.58
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.
3p1u SUSD HOMOLOG

(Parabacteroides
distasonis) 		PF12741
(SusD-like) 		4 GLY A 460
ALA A 459
VAL A 407
ILE A 453
 None
 0.68A 3t3cA-3p1uA:
undetectable		 3t3cA-3p1uA:
11.43
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.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		4 GLY A 171
ALA A 170
ASP A 169
ILE A 162
 None
 0.66A 3t3cA-3s1sA:
undetectable		 3t3cA-3s1sA:
7.27
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.
3s52 PUTATIVE
FUMARYLACETOACETATE
HYDROLASE FAMILY
PROTEIN

(Yersinia pestis) 		PF01557
(FAA_hydrolase) 		4 GLY A 126
ALA A  50
VAL A  19
ILE A  54
 None
 0.76A 3t3cA-3s52A:
undetectable		 3t3cA-3s52A:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		4 ASP A  32
GLY A  34
ALA A  35
VAL A  39
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
 0.31A 3t3cA-3slzA:
11.5		 3t3cA-3slzA:
24.06
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.
3t44 INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00218
(IGPS) 		4 GLY A 235
ALA A 236
ASP A 237
ILE A 206
 None
 0.61A 3t3cA-3t44A:
undetectable		 3t3cA-3t44A:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tat TYROSINE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		4 ASP A 236
GLY A 231
ALA A 230
ILE A 330
 None
 0.73A 3t3cA-3tatA:
undetectable		 3t3cA-3tatA:
13.68
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) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  50
 017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
017  A 201 (-3.3A)
 0.49A 3t3cA-3ttpA:
19.5		 3t3cA-3ttpA:
72.73
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) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  50
 017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 201 ( 3.5A)
 0.25A 3t3cA-3u7sA:
19.0		 3t3cA-3u7sA:
69.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 ASP A  25
GLY A  27
ALA A  28
ASP A  29
 None
 0.21A 3t3cA-3uhlA:
16.9		 3t3cA-3uhlA:
69.70
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.
4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Cryptococcus
neoformans) 		PF00478
(IMPDH)
PF00571
(CBS) 		4 GLY B 292
ASP B 288
VAL B 286
ILE B 337
 None
MOA  B1526 (-3.3A)
None
None
 0.61A 3t3cA-4af0B:
undetectable		 3t3cA-4af0B:
10.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cxh ELONGATION FACTOR 1A

(Oryctolagus
cuniculus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		4 ASP A 384
GLY A 383
ASP A 366
VAL A 373
 None
 0.74A 3t3cA-4cxhA:
undetectable		 3t3cA-4cxhA:
13.97
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.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		4 ASP A 131
GLY A 133
ALA A 134
ILE A 113
 None
HAR  A 100 ( 3.6A)
None
None
 0.59A 3t3cA-4ev4A:
undetectable		 3t3cA-4ev4A:
16.90
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.
4ida RIPENING-INDUCED
PROTEIN

(Fragaria vesca) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		4 GLY A 208
ALA A 209
ASP A 210
ILE A 179
 None
 0.75A 3t3cA-4idaA:
undetectable		 3t3cA-4idaA:
15.90
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.
4ilk STARVATION SENSING
PROTEIN RSPB

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLY A 206
ALA A 207
ASP A 208
ILE A 176
 None
 0.68A 3t3cA-4ilkA:
undetectable		 3t3cA-4ilkA:
14.85
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.
4j05 PHOSPHATE
TRANSPORTER

(Serendipita
indica) 		PF00083
(Sugar_tr) 		4 GLY A  39
ALA A  38
VAL A 156
ILE A  32
 None
 0.72A 3t3cA-4j05A:
undetectable		 3t3cA-4j05A:
13.15
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.
4l4y TRANSCRIPTIONAL
REGULATOR LSRR

(Escherichia
coli) 		PF04198
(Sugar-bind) 		4 GLY A 298
ASP A 254
ASP A 250
VAL A 241
 None
 0.78A 3t3cA-4l4yA:
undetectable		 3t3cA-4l4yA:
20.98
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.
4n4w CYTOCHROME
B(562),SMOOTHENED
HOMOLOG

(Homo sapiens;
Shigella
flexneri) 		PF01534
(Frizzled)
PF07361
(Cytochrom_B562) 		4 ASP A  39
GLY A  -1
ASP A   2
ASP A   5
 None
 0.76A 3t3cA-4n4wA:
undetectable		 3t3cA-4n4wA:
13.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
 0.52A 3t3cA-4njvA:
18.4		 3t3cA-4njvA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  50
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-4.3A)
 0.45A 3t3cA-4njvA:
18.4		 3t3cA-4njvA:
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.
4ph8 AGGREGATIVE
ADHERENCE FIMBRIAL
SUBUNIT AGGA

(Escherichia
coli) 		no annotation 4 ASP A  83
GLY A  85
ALA A  86
ASP A  87
 None
 0.53A 3t3cA-4ph8A:
undetectable		 3t3cA-4ph8A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qq1 TRANSFERRIN-BINDING
PROTEIN 2

(Neisseria
meningitidis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		4 GLY A 539
ASP A 503
VAL A 430
ILE A 344
 None
 0.75A 3t3cA-4qq1A:
undetectable		 3t3cA-4qq1A:
13.22
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.
4ryf ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Listeria
monocytogenes) 		PF00574
(CLP_protease) 		4 ASP H  52
ALA H  86
ASP H  87
ASP H  59
 None
 0.56A 3t3cA-4ryfH:
undetectable		 3t3cA-4ryfH:
21.72
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.
4uug AMINE TRANSAMINASE

(Aspergillus
fumigatus) 		PF01063
(Aminotran_4) 		4 ASP A  48
GLY A 121
ASP A  55
ILE A 138
 None
 0.78A 3t3cA-4uugA:
undetectable		 3t3cA-4uugA:
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.
4uzs BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 GLY A  47
ALA A  46
VAL A 375
ILE A  40
 None
 0.69A 3t3cA-4uzsA:
undetectable		 3t3cA-4uzsA:
10.00
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.
4wd2 AROMATIC-AMINO-ACID
TRANSAMINASE TYRB

(Burkholderia
cenocepacia) 		PF00155
(Aminotran_1_2) 		4 ASP A 224
GLY A 220
ALA A 219
ILE A 318
 None
 0.76A 3t3cA-4wd2A:
undetectable		 3t3cA-4wd2A:
13.94
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.
4xwu INOSINE-5'-MONOPHOSP
HATE
DEHYDROGENASE,INOSIN
E-5'-MONOPHOSPHATE
DEHYDROGENASE

(Eremothecium
gossypii) 		PF00478
(IMPDH) 		4 GLY A 281
ASP A 277
VAL A 275
ILE A 326
 None
 0.59A 3t3cA-4xwuA:
undetectable		 3t3cA-4xwuA:
12.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
ASP A  36
VAL A  39
 4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
None
 0.34A 3t3cA-4ydfA:
13.2		 3t3cA-4ydfA:
34.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z8x ATP-DEPENDENT ZINC
METALLOPROTEASE FTSH

(Aquifex
aeolicus) 		PF00004
(AAA)
PF01434
(Peptidase_M41) 		4 GLY A 492
ALA A 493
ASP A 496
ILE A 417
 None
None
ZN  A 701 (-2.2A)
None
 0.69A 3t3cA-4z8xA:
undetectable		 3t3cA-4z8xA:
13.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zr8 UROPORPHYRINOGEN
DECARBOXYLASE

(Acinetobacter
baumannii) 		PF01208
(URO-D) 		4 GLY A 263
ALA A 264
ASP A 265
ILE A 230
 None
 0.74A 3t3cA-4zr8A:
undetectable		 3t3cA-4zr8A:
13.07
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.
4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2

(Legionella
pneumophila) 		PF00905
(Transpeptidase) 		4 GLY A 374
ASP A 336
VAL A 335
ILE A 368
 None
 0.74A 3t3cA-4ztkA:
undetectable		 3t3cA-4ztkA:
15.51
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 GLY A  27
ALA A  28
ASP A  29
ASP A  30
 None
 0.24A 3t3cA-5b18A:
18.6		 3t3cA-5b18A:
64.65
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.
5c9d APRICK PROTEASE

(Rickettsia
conorii) 		PF13975
(gag-asp_proteas) 		4 ASP A 140
GLY A 142
ALA A 143
ASP A 145
 None
 0.42A 3t3cA-5c9dA:
9.2		 3t3cA-5c9dA:
22.22
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.
5eov 16S/23S RRNA
(CYTIDINE-2'-O)-METH
YLTRANSFERASE TLYA

(Mycobacterium
tuberculosis) 		PF01728
(FtsJ) 		4 ASP A  88
ALA A  91
ASP A 112
VAL A 130
 None
 0.68A 3t3cA-5eovA:
undetectable		 3t3cA-5eovA:
19.52
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.
5inf CARBOXYL TRANSFERASE

(Streptomyces
ambofaciens) 		PF01039
(Carboxyl_trans) 		4 GLY A 431
ALA A 432
ASP A 433
ILE A 361
 None
 0.64A 3t3cA-5infA:
undetectable		 3t3cA-5infA:
14.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iuy MULTIDRUG EFFLUX
OUTER MEMBRANE
PROTEIN OPRN

(Pseudomonas
aeruginosa) 		PF02321
(OEP) 		4 GLY A 339
ALA A 340
ASP A 281
VAL A 284
 None
 0.69A 3t3cA-5iuyA:
undetectable		 3t3cA-5iuyA:
13.50
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.
5j6f 3-DEOXY-D-ARABINO-HE
PTULOSONATE
7-PHOSPHATE
SYNTHASE, CHORISMATE
MUTASE-ISOZYME 3

(Geobacillus sp.
GHH01) 		PF00793
(DAHP_synth_1)
PF01817
(CM_2) 		4 GLY A 315
ALA A 316
ASP A 317
ILE A 281
 None
 0.60A 3t3cA-5j6fA:
undetectable		 3t3cA-5j6fA:
14.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5khl HEMIN ABC
TRANSPORTER,
PERIPLASMIC
HEMIN-BINDING
PROTEIN HUTB

(Vibrio cholerae) 		PF01497
(Peripla_BP_2) 		4 GLY B 243
ALA B 242
ASP B 212
ILE B 207
 None
 0.78A 3t3cA-5khlB:
undetectable		 3t3cA-5khlB:
19.16
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.
5m45 ACETONE CARBOXYLASE
BETA SUBUNIT

(Xanthobacter
autotrophicus) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		4 ALA B 502
ASP B  17
ASP B  24
VAL B  36
 None
MG  B 802 ( 4.8A)
MG  B 802 (-3.0A)
None
 0.70A 3t3cA-5m45B:
undetectable		 3t3cA-5m45B:
10.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  50
 None
 0.42A 3t3cA-5t2zA:
19.1		 3t3cA-5t2zA:
72.73
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.
5tc3 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Eremothecium
gossypii) 		PF00478
(IMPDH)
PF00571
(CBS) 		4 GLY A 281
ASP A 277
VAL A 275
ILE A 326
 None
 0.59A 3t3cA-5tc3A:
undetectable		 3t3cA-5tc3A:
10.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ufm METHYLTRANSFERASE
DOMAIN PROTEIN

(Burkholderia
thailandensis) 		no annotation 4 ASP A  95
GLY A  76
ASP A  72
VAL A 120
 SAH  A 301 (-2.7A)
SAH  A 301 (-3.6A)
None
SAH  A 301 (-4.1A)
 0.73A 3t3cA-5ufmA:
undetectable		 3t3cA-5ufmA:
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.
5usw DIHYDROPTEROATE
SYNTHASE

(Aliivibrio
fischeri) 		PF00809
(Pterin_bind) 		4 GLY A 110
ALA A 111
ASP A 112
ILE A  81
 None
 0.76A 3t3cA-5uswA:
undetectable		 3t3cA-5uswA:
17.99
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.
5wy0 SMALL RNA
2'-O-METHYLTRANSFERA
SE

(Homo sapiens) 		no annotation 4 ASP A  48
GLY A  27
ASP A  23
VAL A  85
 SAM  A 800 (-2.8A)
SAM  A 800 (-3.5A)
SAM  A 800 ( 4.5A)
SAM  A 800 (-3.5A)
 0.76A 3t3cA-5wy0A:
undetectable		 3t3cA-5wy0A:
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.
6cfd ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Enterococcus
faecium) 		no annotation 4 ASP A  52
ALA A  86
ASP A  87
ASP A  59
 None
 0.55A 3t3cA-6cfdA:
undetectable		 3t3cA-6cfdA:
22.86
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.
6dkh L-IDONATE
5-DEHYDROGENASE
(NAD(P)(+))

(Escherichia
coli) 		no annotation 4 GLY A 214
ALA A 215
ASP A 216
ILE A 185
 None
 0.79A 3t3cA-6dkhA:
undetectable		 3t3cA-6dkhA:
26.73
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.
6dzs HOMOSERINE
DEHYDROGENASE

(Mycolicibacterium
hassiacum) 		no annotation 4 GLY A 175
ALA A 176
ASP A 177
ASP A 180
 None
 0.68A 3t3cA-6dzsA:
undetectable		 3t3cA-6dzsA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		4 ASP A  30
GLY A  32
ALA A  33
ASP A  34
 3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
 0.14A 3t3cA-6fivA:
15.2		 3t3cA-6fivA:
28.95
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) 		5 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
 0.33A 3t3cA-6upjA:
17.9		 3t3cA-6upjA:
50.51
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) 		5 ASP A  25
GLY A  27
ASP A  29
ASP A  30
ILE A  50
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
None
None
NIU  A 100 (-3.9A)
 0.50A 3t3cA-6upjA:
17.9		 3t3cA-6upjA:
50.51
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.
1bs9 ACETYL XYLAN
ESTERASE

(Talaromyces
purpureogenus) 		PF01083
(Cutinase) 		5 VAL A  72
ILE A  84
ILE A 167
ALA A  99
VAL A  68
 None
 0.95A 3t3cB-1bs9A:
undetectable		 3t3cB-1bs9A:
20.10
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.
1ded CYCLODEXTRIN
GLUCANOTRANSFERASE

(Bacillus sp.
1011) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 ASP A 319
VAL A 355
GLY A 225
ALA A 357
VAL A 321
 None
 1.03A 3t3cB-1dedA:
undetectable		 3t3cB-1dedA:
10.94
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.
1ga8 GALACTOSYL
TRANSFERASE LGTC

(Neisseria
meningitidis) 		PF01501
(Glyco_transf_8) 		5 ASP A   2
VAL A   4
ILE A  93
GLY A  90
ILE A 169
 None
 0.91A 3t3cB-1ga8A:
undetectable		 3t3cB-1ga8A:
17.50
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.
1gpl RP2 LIPASE

(Cavia porcellus) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 ALA A 161
VAL A 124
GLY A 150
ILE A 149
VAL A 128
 None
 0.96A 3t3cB-1gplA:
undetectable		 3t3cB-1gplA:
13.25
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.
1hpl LIPASE

(Equus caballus) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 ALA A 161
VAL A 124
GLY A 150
ILE A 149
VAL A 128
 None
 0.98A 3t3cB-1hplA:
undetectable		 3t3cB-1hplA:
13.62
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  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
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)
 0.81A 3t3cB-1hvcA:
12.6		 3t3cB-1hvcA:
40.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
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)
 0.70A 3t3cB-1hvcA:
12.6		 3t3cB-1hvcA:
40.39
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.
1k9m RIBOSOMAL PROTEIN
L10E

(Haloarcula
marismortui) 		PF00252
(Ribosomal_L16) 		5 VAL J  92
ILE J  23
GLY J  25
PRO J  89
ALA J 122
 None
 1.01A 3t3cB-1k9mJ:
undetectable		 3t3cB-1k9mJ:
18.45
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.
1lpb LIPASE

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 ALA B 161
VAL B 124
GLY B 150
ILE B 149
VAL B 128
 None
 0.97A 3t3cB-1lpbB:
undetectable		 3t3cB-1lpbB:
10.83
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 ASP A 390
VAL A 392
ILE A 695
ALA A 405
VAL A 415
 None
 0.99A 3t3cB-1o94A:
undetectable		 3t3cB-1o94A:
9.72
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.
1odt CEPHALOSPORIN C
DEACETYLASE

(Bacillus
subtilis) 		PF05448
(AXE1) 		5 ALA C 106
VAL C  56
PRO C  50
ALA C  51
VAL C  54
 None
 0.90A 3t3cB-1odtC:
undetectable		 3t3cB-1odtC:
14.47
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) 		5 ASP A  25
ALA A  28
ASP A  30
VAL A  32
PRO A  81
 None
 0.77A 3t3cB-1q9pA:
9.1		 3t3cB-1q9pA:
73.68
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.
1qvr CLPB PROTEIN

(Thermus
thermophilus) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 ALA A 389
ILE A 529
ILE A 382
ALA A 360
VAL A 521
 None
None
ANP  A 901 (-4.5A)
None
None
 1.02A 3t3cB-1qvrA:
undetectable		 3t3cB-1qvrA:
8.75
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.
1rp1 PANCREATIC LIPASE
RELATED PROTEIN 1

(Canis lupus) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 ALA A 161
VAL A 124
GLY A 150
ILE A 149
VAL A 128
 None
 1.03A 3t3cB-1rp1A:
undetectable		 3t3cB-1rp1A:
12.25
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.
1ru3 ACETYL-COA SYNTHASE

(Carboxydothermus
hydrogenoformans) 		PF03598
(CdhC) 		5 ALA A 113
VAL A 218
GLY A 106
ALA A 222
VAL A 219
 None
 1.02A 3t3cB-1ru3A:
undetectable		 3t3cB-1ru3A:
9.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s72 50S RIBOSOMAL
PROTEIN L10E

(Haloarcula
marismortui) 		PF00252
(Ribosomal_L16) 		5 VAL H  94
ILE H  23
GLY H  25
PRO H  91
ALA H 124
 None
 1.00A 3t3cB-1s72H:
undetectable		 3t3cB-1s72H:
19.08
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
ALA A  28
ASP A  30
ILE A  50
PRO A  81
 None
 0.71A 3t3cB-1sivA:
19.2		 3t3cB-1sivA:
49.49
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
ALA A  28
GLY A  49
ILE A  50
PRO A  81
 None
 0.47A 3t3cB-1sivA:
19.2		 3t3cB-1sivA:
49.49
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.
1up4 6-PHOSPHO-BETA-GLUCO
SIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 VAL A 120
ILE A 145
GLY A 160
ILE A 159
VAL A 124
 None
 0.84A 3t3cB-1up4A:
undetectable		 3t3cB-1up4A:
14.05
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.
1vcv PROBABLE
DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Pyrobaculum
aerophilum) 		PF01791
(DeoC) 		5 ALA A 142
VAL A  85
PRO A  88
ALA A  87
VAL A 118
 None
 1.02A 3t3cB-1vcvA:
undetectable		 3t3cB-1vcvA:
22.34
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.
1vzo RIBOSOMAL PROTEIN S6
KINASE ALPHA 5

(Homo sapiens) 		PF00069
(Pkinase) 		6 ASP A 325
VAL A 331
ILE A 321
GLY A 159
PRO A 334
ALA A 333
 None
 1.37A 3t3cB-1vzoA:
undetectable		 3t3cB-1vzoA:
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.
1x3l HYPOTHETICAL PROTEIN
PH0495

(Pyrococcus
horikoshii) 		PF05161
(MOFRL)
PF13660
(DUF4147) 		5 ALA A 351
ILE A 347
GLY A 379
ILE A 380
ALA A 431
 None
 0.99A 3t3cB-1x3lA:
undetectable		 3t3cB-1x3lA:
13.41
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.
1xi8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN

(Pyrococcus
furiosus) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		5 ALA A 243
ILE A 256
GLY A 186
ILE A 228
VAL A 233
 None
 1.00A 3t3cB-1xi8A:
undetectable		 3t3cB-1xi8A:
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.
1z94 CONSERVED
HYPOTHETICAL PROTEIN

(Chromobacterium
violaceum) 		PF08327
(AHSA1) 		6 ALA A  21
ASP A  24
GLY A  77
PRO A  14
ALA A  13
VAL A 141
 None
 1.49A 3t3cB-1z94A:
undetectable		 3t3cB-1z94A:
23.78
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.
2dul N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF02005
(TRM) 		5 VAL A 231
ILE A 204
ILE A 199
ALA A 220
VAL A 217
 None
 0.98A 3t3cB-2dulA:
undetectable		 3t3cB-2dulA:
14.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
VAL A  32
ILE A  53
GLY A  55
PRO A  86
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
 0.42A 3t3cB-2fmbA:
15.3		 3t3cB-2fmbA:
29.52
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.
2hsd 3-ALPHA, 20
BETA-HYDROXYSTEROID
DEHYDROGENASE

(Streptomyces
exfoliatus) 		PF13561
(adh_short_C2) 		5 ILE A 134
GLY A 118
PRO A 124
ALA A 125
VAL A  81
 None
 0.92A 3t3cB-2hsdA:
undetectable		 3t3cB-2hsdA:
16.33
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.
2jsz PROBABLE THIOL
PEROXIDASE

(Bacillus
subtilis) 		PF08534
(Redoxin) 		5 ALA A 143
GLY A 118
PRO A  25
ALA A  24
VAL A 140
 None
 0.93A 3t3cB-2jszA:
undetectable		 3t3cB-2jszA:
20.36
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.
2k6d SH3
DOMAIN-CONTAINING
KINASE-BINDING
PROTEIN 1

(Homo sapiens) 		PF14604
(SH3_9) 		6 ASP A 320
VAL A 274
ILE A 288
GLY A 309
ILE A 297
VAL A 323
 None
 1.39A 3t3cB-2k6dA:
undetectable		 3t3cB-2k6dA:
16.00
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.
2oas 4-HYDROXYBUTYRATE
COENZYME A
TRANSFERASE

(Shewanella
oneidensis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		6 ALA A 350
VAL A 197
ILE A 304
GLY A 210
ILE A 211
ALA A 217
 None
 1.16A 3t3cB-2oasA:
undetectable		 3t3cB-2oasA:
13.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ppl PANCREATIC
LIPASE-RELATED
PROTEIN 1

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 ALA A 180
VAL A 143
GLY A 169
ILE A 168
VAL A 147
 None
 0.99A 3t3cB-2pplA:
undetectable		 3t3cB-2pplA:
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.
2q6t DNAB REPLICATION
FORK HELICASE

(Thermus
aquaticus) 		PF00772
(DnaB)
PF03796
(DnaB_C) 		5 ALA A 224
ILE A 285
GLY A 233
ILE A 314
ALA A 217
 None
 1.04A 3t3cB-2q6tA:
undetectable		 3t3cB-2q6tA:
13.41
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.
2qqk NEUROPILIN-2

(Homo sapiens) 		PF00431
(CUB)
PF00754
(F5_F8_type_C) 		5 ASP A 491
VAL A 490
ILE A 445
GLY A 443
ALA A 465
 None
 1.05A 3t3cB-2qqkA:
undetectable		 3t3cB-2qqkA:
10.63
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.
2rdx MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
PUTATIVE

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 203
ASP A 201
ILE A 177
ALA A 234
VAL A 230
 None
 1.00A 3t3cB-2rdxA:
undetectable		 3t3cB-2rdxA:
16.08
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 ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ALA A  82
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.6A)
 0.67A 3t3cB-2rkfA:
19.0		 3t3cB-2rkfA:
72.73
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 ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ALA A  82
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.6A)
 0.52A 3t3cB-2rkfA:
19.0		 3t3cB-2rkfA:
72.73
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.
2v82 2-DEHYDRO-3-DEOXY-6-
PHOSPHOGALACTONATE
ALDOLASE

(Escherichia
coli) 		PF01081
(Aldolase) 		5 ALA A  60
VAL A  25
ILE A  52
GLY A  63
ALA A  11
 None
 1.05A 3t3cB-2v82A:
undetectable		 3t3cB-2v82A:
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.
2w5e PUTATIVE SERINE
PROTEASE

(Mamastrovirus 1) 		PF13365
(Trypsin_2) 		5 ASP A 489
ILE A 490
ILE A 456
PRO A 554
ALA A 553
 None
 0.99A 3t3cB-2w5eA:
undetectable		 3t3cB-2w5eA:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w9f CELL DIVISION
PROTEIN KINASE 4

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL B  37
ILE B 164
ILE B  51
PRO B  40
VAL B  89
 None
 1.05A 3t3cB-2w9fB:
undetectable		 3t3cB-2w9fB:
18.12
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.
3a0h PHOTOSYSTEM II CORE
LIGHT HARVESTING
PROTEIN

(Thermosynechococcus
vulcanus) 		PF00421
(PSII) 		5 ASP B 380
VAL B 368
ILE B 381
ALA B 424
VAL B 356
 None
 0.99A 3t3cB-3a0hB:
undetectable		 3t3cB-3a0hB:
13.32
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.
3ai7 XYLULOSE-5-PHOSPHATE
/FRUCTOSE-6-PHOSPHAT
E PHOSPHOKETOLASE

(Bifidobacterium
longum) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		5 ALA A 167
VAL A  90
ILE A 151
ALA A 178
VAL A 176
 None
 0.88A 3t3cB-3ai7A:
undetectable		 3t3cB-3ai7A:
8.52
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.
3bfo MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1 (ISOFORM
2)

(Homo sapiens) 		PF13895
(Ig_2) 		5 ASP A 281
VAL A 280
ILE A 308
GLY A 286
VAL A 277
 None
 1.03A 3t3cB-3bfoA:
undetectable		 3t3cB-3bfoA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cp0 MEMBRANE PROTEIN
IMPLICATED IN
REGULATION OF
MEMBRANE PROTEASE
ACTIVITY

(Corynebacterium
glutamicum) 		PF01957
(NfeD) 		5 ALA A  48
VAL A  28
ILE A  66
ALA A  26
VAL A  39
 None
 0.96A 3t3cB-3cp0A:
undetectable		 3t3cB-3cp0A:
26.60
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.
3fj1 PUTATIVE
PHOSPHOSUGAR
ISOMERASE

(Ruegeria
pomeroyi) 		PF01380
(SIS) 		5 ALA A 281
VAL A 256
ILE A 249
ALA A 273
VAL A 283
 None
 1.04A 3t3cB-3fj1A:
undetectable		 3t3cB-3fj1A:
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.
3gyd CYCLIC
NUCLEOTIDE-BINDING
DOMAIN

(Methylobacillus
flagellatus) 		PF00027
(cNMP_binding) 		5 ALA A  93
VAL A  72
GLY A  96
ALA A  87
VAL A  89
 None
None
CMP  A 300 (-3.3A)
CMP  A 300 (-3.3A)
None
 0.88A 3t3cB-3gydA:
undetectable		 3t3cB-3gydA:
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.
3j09 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00403
(HMA)
PF00702
(Hydrolase) 		5 ASP A 424
ILE A 620
GLY A 277
PRO A 624
ALA A 625
 None
 1.04A 3t3cB-3j09A:
undetectable		 3t3cB-3j09A:
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.
3lez BETA-LACTAMASE

(Oceanobacillus
iheyensis) 		PF13354
(Beta-lactamase2) 		7 ALA A  64
ASP A  66
ILE A 262
GLY A 260
ILE A 259
ALA A 294
VAL A 298
 None
 1.22A 3t3cB-3lezA:
undetectable		 3t3cB-3lezA:
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.
3meq ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Brucella suis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A  38
ILE A 147
GLY A  88
ILE A  89
VAL A 339
 None
 1.01A 3t3cB-3meqA:
undetectable		 3t3cB-3meqA:
15.62
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) 		8 ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
 0.40A 3t3cB-3mwsA:
20.0		 3t3cB-3mwsA:
69.70
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.
3qt4 CATHEPSIN-L-LIKE
MIDGUT CYSTEINE
PROTEINASE

(Tenebrio
molitor) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		5 VAL A 263
ILE A 303
GLY A 214
ALA A 222
VAL A 229
 None
 0.96A 3t3cB-3qt4A:
undetectable		 3t3cB-3qt4A:
12.88
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.
3rcy MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Roseovarius sp.
TM1035) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 ALA A  93
VAL A  77
ILE A  91
GLY A 289
ILE A  99
VAL A  57
 None
 1.49A 3t3cB-3rcyA:
undetectable		 3t3cB-3rcyA:
13.91
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.
3ruc WBGU

(Plesiomonas
shigelloides) 		PF01370
(Epimerase) 		5 VAL A 172
ILE A 119
GLY A 121
ILE A 125
ALA A 177
 None
 0.91A 3t3cB-3rucA:
undetectable		 3t3cB-3rucA:
18.24
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.
3ssm METHYLTRANSFERASE

(Micromonospora
griseorubida) 		no annotation 5 ALA A 145
ASP A  56
GLY A 140
ILE A 139
VAL A  59
 None
 0.93A 3t3cB-3ssmA:
undetectable		 3t3cB-3ssmA:
13.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t69 PUTATIVE
2-DEHYDRO-3-DEOXYGAL
ACTONOKINASE

(Sinorhizobium
meliloti) 		PF05035
(DGOK) 		5 ALA A  32
GLY A  25
PRO A  62
ALA A  61
VAL A  59
 None
 0.92A 3t3cB-3t69A:
undetectable		 3t3cB-3t69A:
15.29
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) 		6 ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
 0.51A 3t3cB-3ttpA:
20.0		 3t3cB-3ttpA:
72.73
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) 		6 ASP A  25
ALA A  28
ASP A  30
ILE A  47
PRO A  81
VAL A  84
 017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-4.0A)
None
 0.69A 3t3cB-3u7sA:
19.0		 3t3cB-3u7sA:
69.70
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) 		7 ASP A  25
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  84
 017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
None
 0.74A 3t3cB-3u7sA:
19.0		 3t3cB-3u7sA:
69.70
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.
3ufx SUCCINYL-COA
SYNTHETASE BETA
SUBUNIT

(Thermus
aquaticus) 		PF00549
(Ligase_CoA)
PF08442
(ATP-grasp_2) 		5 VAL B 289
ILE B 309
GLY B 311
ILE B 313
VAL B 288
 None
 1.02A 3t3cB-3ufxB:
undetectable		 3t3cB-3ufxB:
13.58
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.
3vpz GLUCOKINASE

(Pseudoalteromonas
sp. AS-131) 		PF02685
(Glucokinase) 		5 ALA A 120
ILE A 316
GLY A 320
ALA A 154
VAL A 144
 None
 1.04A 3t3cB-3vpzA:
undetectable		 3t3cB-3vpzA:
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.
4a7k ALDOS-2-ULOSE
DEHYDRATASE

(Phanerochaete
chrysosporium) 		no annotation 5 ALA A 100
VAL A 170
ILE A 111
ALA A 193
VAL A 168
 None
 0.97A 3t3cB-4a7kA:
undetectable		 3t3cB-4a7kA:
8.43
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.
4bv4 PROTEIN TOLL,
VARIABLE LYMPHOCYTE
RECEPTOR B CHIMERA

(Drosophila
melanogaster;
Eptatretus
burgeri) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 ASP R 273
VAL R 271
ILE R 274
ALA R 244
VAL R 247
 None
 0.95A 3t3cB-4bv4R:
undetectable		 3t3cB-4bv4R:
10.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cgt CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 ASP A 319
VAL A 355
GLY A 225
ALA A 357
VAL A 321
 None
 0.92A 3t3cB-4cgtA:
undetectable		 3t3cB-4cgtA:
8.88
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.
4cgt CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 ASP A 319
VAL A 355
GLY A 225
ILE A 134
VAL A 321
 None
 1.02A 3t3cB-4cgtA:
undetectable		 3t3cB-4cgtA:
8.88
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.
4e3w ACID PHOSPHATASE

(Francisella
tularensis) 		PF00328
(His_Phos_2) 		5 ALA A 211
ASP A 207
GLY A 184
ILE A 181
ALA A 159
 None
 1.03A 3t3cB-4e3wA:
undetectable		 3t3cB-4e3wA:
17.37
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.
4emi TODA

(Pseudomonas
putida) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 ALA A 249
ILE A 105
ILE A 258
ALA A 267
VAL A  85
 None
 0.98A 3t3cB-4emiA:
undetectable		 3t3cB-4emiA:
15.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fsf PENICILLIN-BINDING
PROTEIN 3

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 VAL A 165
ILE A  65
PRO A 156
ALA A 157
VAL A 161
 None
 0.85A 3t3cB-4fsfA:
undetectable		 3t3cB-4fsfA:
11.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h16 SHORT CHAIN ALCOHOL
DEHYDROGENASE-RELATE
D DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 ALA A 237
VAL A  81
ILE A 233
ALA A  12
VAL A  79
 None
 1.01A 3t3cB-4h16A:
undetectable		 3t3cB-4h16A:
17.18
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.
4h6j ARYL HYDROCARBON
NUCLEAR TRANSLOCATOR

(Homo sapiens) 		PF14598
(PAS_11) 		5 VAL B 416
ILE B 369
GLY B 371
ILE B 396
VAL B 415
 None
 0.95A 3t3cB-4h6jB:
undetectable		 3t3cB-4h6jB:
21.49
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.
4hdj OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMB

(Pseudomonas
aeruginosa) 		PF13360
(PQQ_2) 		5 GLY A 160
ILE A 159
PRO A 187
ALA A 196
VAL A 204
 None
 0.96A 3t3cB-4hdjA:
undetectable		 3t3cB-4hdjA:
14.00
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.
4hds ARSB

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 ALA B 239
ILE B  61
GLY B 152
ILE B 149
VAL B 246
 None
 1.01A 3t3cB-4hdsB:
undetectable		 3t3cB-4hdsB:
16.40
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.
4i1p MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1

(Homo sapiens) 		PF00656
(Peptidase_C14) 		5 VAL A 632
ILE A 614
GLY A 603
ALA A 630
VAL A 686
 None
 1.04A 3t3cB-4i1pA:
undetectable		 3t3cB-4i1pA:
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.
4i84 HEME/HEMOPEXIN-BINDI
NG PROTEIN

(Haemophilus
influenzae) 		PF05860
(Haemagg_act) 		5 ALA A 164
VAL A 149
ILE A 143
ILE A 205
VAL A 170
 None
 1.01A 3t3cB-4i84A:
undetectable		 3t3cB-4i84A:
16.38
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.
4ilk STARVATION SENSING
PROTEIN RSPB

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 121
GLY A 110
ILE A  57
ALA A  34
VAL A  31
 None
 0.98A 3t3cB-4ilkA:
undetectable		 3t3cB-4ilkA:
14.85
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.
4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE

([Bacillus]
clarkii) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 ASP A 309
VAL A 345
GLY A 216
ALA A 347
VAL A 311
 None
 1.02A 3t3cB-4jcmA:
undetectable		 3t3cB-4jcmA:
10.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lc3 PUTATIVE
UDP-4-AMINO-4-DEOXY-
L-ARABINOSE--OXOGLUT
ARATE
AMINOTRANSFERASE

(Burkholderia
cenocepacia) 		PF01041
(DegT_DnrJ_EryC1) 		5 VAL A 179
ILE A 172
GLY A 164
ALA A 196
VAL A 198
 None
 0.98A 3t3cB-4lc3A:
undetectable		 3t3cB-4lc3A:
15.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.54A 3t3cB-4njvA:
18.7		 3t3cB-4njvA:
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.
4phb UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		PF14262
(Cthe_2159) 		5 VAL A 165
ILE A 149
GLY A 174
ALA A 190
VAL A 188
 None
 0.88A 3t3cB-4phbA:
undetectable		 3t3cB-4phbA:
16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis) 		PF00497
(SBP_bac_3) 		5 ASP A  46
VAL A  47
ILE A  95
ALA A 263
VAL A  49
 None
 1.04A 3t3cB-4q0cA:
undetectable		 3t3cB-4q0cA:
10.85
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.
4qcc 2-DEHYDRO-3-DEOXY-6-
PHOSPHOGALACTONATE
ALDOLASE,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CHIMERA

(Escherichia
coli) 		PF01081
(Aldolase)
PF01346
(FKBP_N) 		5 ALA A  60
VAL A  25
ILE A  52
GLY A  63
ALA A  11
 None
 1.05A 3t3cB-4qccA:
undetectable		 3t3cB-4qccA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN

(Nitratireductor
pacificus) 		PF12838
(Fer4_7)
PF13486
(Dehalogenase) 		5 ASP A 178
ALA A 180
VAL A 184
GLY A 194
ALA A  29
 None
 1.04A 3t3cB-4rasA:
undetectable		 3t3cB-4rasA:
8.49
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.
4u9p UPF0264 PROTEIN
MJ1099

(Methanocaldococcus
jannaschii) 		PF04476
(4HFCP_synth) 		5 VAL A 147
ILE A 204
GLY A 206
ALA A 120
VAL A 118
 None
 0.96A 3t3cB-4u9pA:
undetectable		 3t3cB-4u9pA:
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.
4y23 GAMMA GLUTAMYL
TRANSPEPTIDASE,GAMMA
-GLUTAMYLTRANSPEPTID
ASE

(Bacillus
licheniformis) 		PF01019
(G_glu_transpept) 		5 VAL A 249
GLY A  88
ILE A  87
ALA A 244
VAL A 248
 None
 1.02A 3t3cB-4y23A:
undetectable		 3t3cB-4y23A:
10.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zke SUPERKILLER PROTEIN
7

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU) 		5 VAL A 578
ILE A 557
GLY A 529
ILE A 629
VAL A 609
 VAL  A 578 ( 0.6A)
ILE  A 557 ( 0.4A)
GLY  A 529 ( 0.0A)
ILE  A 629 ( 0.6A)
VAL  A 609 ( 0.6A)
 1.03A 3t3cB-4zkeA:
undetectable		 3t3cB-4zkeA:
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 VAL A 231
ILE A 293
GLY A 296
ILE A 299
ALA A 222
 None
 1.02A 3t3cB-5dotA:
undetectable		 3t3cB-5dotA:
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.
5e4r KETOL-ACID
REDUCTOISOMERASE

(Ignisphaera
aggregans) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 ALA A 165
ILE A  10
GLY A 171
ALA A 149
VAL A 151
 None
None
GOL  A 506 ( 4.9A)
None
None
 0.94A 3t3cB-5e4rA:
undetectable		 3t3cB-5e4rA:
12.78
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.
5i45 GLYCOSYL
TRANSFERASES GROUP 1
FAMILY PROTEIN

(Francisella
tularensis) 		PF00534
(Glycos_transf_1) 		5 ALA A 276
ILE A 285
GLY A 261
ALA A 267
VAL A 274
 None
 1.04A 3t3cB-5i45A:
undetectable		 3t3cB-5i45A:
21.39
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.
5in2 EXTRACELLULAR
SUPEROXIDE DISMUTASE
[CU-ZN]

(Onchocerca
volvulus) 		PF00080
(Sod_Cu) 		5 VAL A  35
ILE A  87
GLY A  44
ALA A 148
VAL A  14
 None
 0.98A 3t3cB-5in2A:
undetectable		 3t3cB-5in2A:
21.25
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.
5j1l TOXR-ACTIVATED GENE
(TAGE)

(Helicobacter
pylori) 		PF01551
(Peptidase_M23) 		5 ALA A 184
VAL A 190
ILE A 205
GLY A 238
VAL A 231
 None
 0.96A 3t3cB-5j1lA:
undetectable		 3t3cB-5j1lA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jo9 RIBITOL
2-DEHYDROGENASE

(Bradyrhizobium
japonicum) 		PF00106
(adh_short) 		5 ALA A  87
VAL A 120
ILE A 135
GLY A 179
VAL A 116
 None
 0.88A 3t3cB-5jo9A:
undetectable		 3t3cB-5jo9A:
19.58
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.
5lq3 CMEB

(Campylobacter
jejuni) 		PF00873
(ACR_tran) 		5 ALA A 474
VAL A 455
GLY A 925
ALA A 871
VAL A 459
 None
 0.78A 3t3cB-5lq3A:
undetectable		 3t3cB-5lq3A:
6.58
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.
5lq3 CMEB

(Campylobacter
jejuni) 		PF00873
(ACR_tran) 		5 ALA A 474
VAL A 455
ILE A 920
ALA A 871
VAL A 459
 None
 1.05A 3t3cB-5lq3A:
undetectable		 3t3cB-5lq3A:
6.58
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 5 ALA A 102
VAL A  88
ILE A  78
GLY A 175
ILE A 174
 None
 1.02A 3t3cB-5n4lA:
undetectable		 3t3cB-5n4lA:
19.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
 0.62A 3t3cB-5t2zA:
19.4		 3t3cB-5t2zA:
72.73
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.
5vmk BIFUNCTIONAL PROTEIN
GLMU

(Acinetobacter
baumannii) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3)
PF14602
(Hexapep_2) 		5 ALA A 358
VAL A 347
ILE A 352
ALA A 327
VAL A 345
 None
 1.04A 3t3cB-5vmkA:
undetectable		 3t3cB-5vmkA:
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.
6c5b METHYLTRANSFERASE

(Lysobacter
antibioticus) 		no annotation 5 ASP A 180
VAL A 178
ILE A 192
PRO A 174
VAL A 243
 FMT  A 502 (-2.6A)
None
None
None
None
 0.85A 3t3cB-6c5bA:
undetectable		 3t3cB-6c5bA:
21.78
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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT E
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT G

(Pyrococcus
furiosus) 		no annotation 5 ALA A  84
ILE A  88
GLY A  90
ILE A  92
ALA C  24
 None
 1.03A 3t3cB-6cfwA:
undetectable		 3t3cB-6cfwA:
22.00
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
9, MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
6, MITOCHONDRIAL

(Mus musculus) 		no annotation 5 ASP R  30
VAL R  26
ILE P  46
ILE P  81
VAL R  29
 None
 0.96A 3t3cB-6g2jR:
undetectable		 3t3cB-6g2jR:
24.00