SIMILAR PATTERNS OF AMINO ACIDS FOR 3TJ7_D_ACTD605_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a2o CHEB METHYLESTERASE

(Salmonella
enterica) 		PF00072
(Response_reg)
PF01339
(CheB_methylest) 		4 VAL A 310
HIS A 138
THR A 281
GLY A 167
 None
 1.11A 3tj7C-1a2oA:
0.0
3tj7D-1a2oA:
0.0		 3tj7C-1a2oA:
20.12
3tj7D-1a2oA:
20.12
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.
1e5f METHIONINE
GAMMA-LYASE

(Trichomonas
vaginalis) 		PF01053
(Cys_Met_Meta_PP) 		4 VAL A 218
SER A  85
THR A 208
GLY A  86
 PLP  A 405 ( 4.6A)
PLP  A 405 (-3.7A)
PLP  A 405 (-3.5A)
PLP  A 405 (-3.1A)
 1.07A 3tj7C-1e5fA:
0.0
3tj7D-1e5fA:
0.0		 3tj7C-1e5fA:
18.09
3tj7D-1e5fA:
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.
1i5p PESTICIDIAL CRYSTAL
PROTEIN CRY2AA

(Bacillus
thuringiensis) 		PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N)
PF09131
(Endotoxin_mid) 		4 HIS A 358
SER A 337
THR A 354
GLY A 352
 None
 1.13A 3tj7C-1i5pA:
0.0
3tj7D-1i5pA:
0.0		 3tj7C-1i5pA:
14.46
3tj7D-1i5pA:
14.46
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.
1mlz 7,8-DIAMINO-PELARGON
IC ACID
AMINOTRANSFERASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		4 VAL A 116
SER A 113
TYR A 144
GLY A 146
 None
PLP  A 430 (-2.7A)
TZA  A 431 ( 4.2A)
PLP  A 430 ( 3.7A)
 1.15A 3tj7C-1mlzA:
0.0
3tj7D-1mlzA:
0.0		 3tj7C-1mlzA:
19.85
3tj7D-1mlzA:
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.
1okg POSSIBLE
3-MERCAPTOPYRUVATE
SULFURTRANSFERASE

(Leishmania
major) 		PF00581
(Rhodanese)
PF09122
(DUF1930) 		5 VAL A 257
HIS A  75
SER A 255
THR A 258
GLY A 254
 None
None
SO3  A1374 (-3.5A)
SO3  A1374 ( 4.5A)
SO3  A1374 (-3.3A)
 1.31A 3tj7C-1okgA:
0.0
3tj7D-1okgA:
0.5		 3tj7C-1okgA:
17.20
3tj7D-1okgA:
17.20
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.
1pfx FACTOR IXA

(Sus scrofa) 		PF00089
(Trypsin) 		4 VAL C  53
SER C  45
THR C  54
GLY C 197
 None
 1.13A 3tj7C-1pfxC:
undetectable
3tj7D-1pfxC:
0.0		 3tj7C-1pfxC:
21.95
3tj7D-1pfxC:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pgu ACTIN INTERACTING
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 VAL A 186
SER A 184
THR A 178
GLY A 180
 None
 1.10A 3tj7C-1pguA:
0.0
3tj7D-1pguA:
0.7		 3tj7C-1pguA:
15.13
3tj7D-1pguA:
15.13
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.
1szs 4-AMINOBUTYRATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		4 VAL A 115
SER A 112
TYR A 138
GLY A 140
 None
PLP  A1261 ( 2.6A)
PMP  A1271 (-4.2A)
PLP  A1261 ( 3.9A)
 1.13A 3tj7C-1szsA:
0.0
3tj7D-1szsA:
0.0		 3tj7C-1szsA:
20.66
3tj7D-1szsA:
20.66
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.
1u1h 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Arabidopsis
thaliana) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 VAL A   6
HIS A   4
SER A 325
GLY A 291
 None
 1.04A 3tj7C-1u1hA:
0.0
3tj7D-1u1hA:
undetectable		 3tj7C-1u1hA:
13.78
3tj7D-1u1hA:
13.78
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.
1uew MEMBRANE ASSOCIATED
GUANYLATE KINASE
INVERTED-2 (MAGI-2)

(Homo sapiens) 		PF00595
(PDZ) 		4 VAL A  15
HIS A  17
SER A  94
THR A  96
 None
 0.43A 3tj7C-1uewA:
undetectable
3tj7D-1uewA:
undetectable		 3tj7C-1uewA:
14.57
3tj7D-1uewA:
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.
1ur1 ENDOXYLANASE

(Cellvibrio
mixtus) 		PF00331
(Glyco_hydro_10) 		5 VAL A 102
HIS A 100
SER A  63
THR A  65
GLY A  38
 None
 0.96A 3tj7C-1ur1A:
undetectable
3tj7D-1ur1A:
undetectable		 3tj7C-1ur1A:
20.22
3tj7D-1ur1A:
20.22
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.
1vlp NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Saccharomyces
cerevisiae) 		PF04095
(NAPRTase) 		4 VAL A 230
THR A 229
TYR A 290
GLY A 266
 None
 1.10A 3tj7C-1vlpA:
undetectable
3tj7D-1vlpA:
undetectable		 3tj7C-1vlpA:
17.01
3tj7D-1vlpA:
17.01
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.
2ayx SENSOR KINASE
PROTEIN RCSC

(Escherichia
coli) 		PF00072
(Response_reg)
PF09456
(RcsC) 		4 VAL A 876
SER A 874
THR A 903
GLY A 901
 None
 0.95A 3tj7C-2ayxA:
undetectable
3tj7D-2ayxA:
undetectable		 3tj7C-2ayxA:
20.15
3tj7D-2ayxA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2beo LISTERIOLYSIN
REGULATORY PROTEIN

(Listeria
monocytogenes) 		PF13545
(HTH_Crp_2) 		4 VAL A  87
SER A  89
THR A  46
GLY A  44
 None
 0.77A 3tj7C-2beoA:
undetectable
3tj7D-2beoA:
undetectable		 3tj7C-2beoA:
22.44
3tj7D-2beoA:
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.
2bp1 AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		4 HIS A 142
SER A 172
TYR A 226
GLY A 199
 FLC  A1362 ( 3.9A)
NDP  A1361 (-2.7A)
NDP  A1361 (-3.3A)
None
 1.12A 3tj7C-2bp1A:
undetectable
3tj7D-2bp1A:
undetectable		 3tj7C-2bp1A:
18.33
3tj7D-2bp1A:
18.33
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.
2c7b CARBOXYLESTERASE

(uncultured
archaeon) 		PF07859
(Abhydrolase_3) 		4 HIS A  92
SER A 285
TYR A 182
GLY A 282
 None
 1.15A 3tj7C-2c7bA:
undetectable
3tj7D-2c7bA:
undetectable		 3tj7C-2c7bA:
19.23
3tj7D-2c7bA:
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.
2dh8 DAZ-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF00076
(RRM_1) 		4 VAL A  67
HIS A  73
SER A  70
THR A  66
 None
 1.07A 3tj7C-2dh8A:
undetectable
3tj7D-2dh8A:
undetectable		 3tj7C-2dh8A:
19.29
3tj7D-2dh8A:
19.29
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.
2fex CONSERVED
HYPOTHETICAL PROTEIN

(Agrobacterium
fabrum) 		PF01965
(DJ-1_PfpI) 		4 VAL A 145
THR A 152
TYR A 138
GLY A 120
 None
 0.90A 3tj7C-2fexA:
undetectable
3tj7D-2fexA:
undetectable		 3tj7C-2fexA:
21.24
3tj7D-2fexA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gr9 PYRROLINE-5-CARBOXYL
ATE REDUCTASE 1

(Homo sapiens) 		PF03807
(F420_oxidored)
PF14748
(P5CR_dimer) 		5 VAL A  60
HIS A  90
SER A  63
THR A  59
GLY A   4
 None
 1.28A 3tj7C-2gr9A:
undetectable
3tj7D-2gr9A:
undetectable		 3tj7C-2gr9A:
19.64
3tj7D-2gr9A:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i9x PUTATIVE SEPTATION
PROTEIN SPOVG

(Staphylococcus
epidermidis) 		PF04026
(SpoVG) 		4 VAL A  30
HIS A  32
SER A  22
THR A  24
 EDO  A 101 ( 4.7A)
EDO  A 101 ( 4.9A)
EDO  A 101 (-4.6A)
EDO  A 101 (-3.7A)
 0.67A 3tj7C-2i9xA:
undetectable
3tj7D-2i9xA:
undetectable		 3tj7C-2i9xA:
20.21
3tj7D-2i9xA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i9z PUTATIVE SEPTATION
PROTEIN SPOVG

(Staphylococcus
epidermidis) 		PF04026
(SpoVG) 		4 VAL A  30
HIS A  32
SER A  22
THR A  24
 None
 0.64A 3tj7C-2i9zA:
undetectable
3tj7D-2i9zA:
undetectable		 3tj7C-2i9zA:
25.15
3tj7D-2i9zA:
25.15
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.
2ia9 PUTATIVE SEPTATION
PROTEIN SPOVG

(Bacillus
subtilis) 		PF04026
(SpoVG) 		4 VAL A  30
HIS A  32
SER A  22
THR A  24
 None
 0.32A 3tj7C-2ia9A:
undetectable
3tj7D-2ia9A:
undetectable		 3tj7C-2ia9A:
19.19
3tj7D-2ia9A:
19.19
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.
2ja2 GLUTAMYL-TRNA
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00749
(tRNA-synt_1c) 		4 VAL A 156
HIS A 109
THR A 188
GLY A 192
 None
 1.12A 3tj7C-2ja2A:
undetectable
3tj7D-2ja2A:
undetectable		 3tj7C-2ja2A:
15.27
3tj7D-2ja2A:
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.
2m41 ATAXIN-1

(Homo sapiens) 		PF08517
(AXH) 		4 VAL B 682
SER B 613
THR B 615
GLY B 635
 None
 0.93A 3tj7C-2m41B:
undetectable
3tj7D-2m41B:
undetectable		 3tj7C-2m41B:
19.19
3tj7D-2m41B:
19.19
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.
2nmp CYSTATHIONINE
GAMMA-LYASE

(Homo sapiens) 		PF01053
(Cys_Met_Meta_PP) 		4 VAL A 221
SER A  89
THR A 211
GLY A  90
 PLP  A 500 ( 4.8A)
PLP  A 500 (-3.6A)
PLP  A 500 (-3.2A)
PLP  A 500 (-3.5A)
 1.15A 3tj7C-2nmpA:
undetectable
3tj7D-2nmpA:
undetectable		 3tj7C-2nmpA:
19.45
3tj7D-2nmpA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oiw PUTATIVE
4-HYDROXYBENZOYL-COA
THIOESTERASE

(Geobacillus
stearothermophilus) 		PF03061
(4HBT) 		4 VAL A 102
SER A  82
THR A  84
GLY A  79
 None
 1.02A 3tj7C-2oiwA:
undetectable
3tj7D-2oiwA:
undetectable		 3tj7C-2oiwA:
24.39
3tj7D-2oiwA:
24.39
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.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF01979
(Amidohydro_1) 		4 HIS A 273
SER A 298
THR A 325
GLY A 330
 GUN  A 600 (-3.9A)
GUN  A 600 ( 4.6A)
None
None
 0.84A 3tj7C-2oodA:
undetectable
3tj7D-2oodA:
undetectable		 3tj7C-2oodA:
17.46
3tj7D-2oodA:
17.46
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.
2p6p GLYCOSYL TRANSFERASE

(Streptomyces
fradiae) 		PF06722
(DUF1205) 		4 HIS A 285
SER A 291
TYR A 226
GLY A 289
 None
None
None
GOL  A1005 ( 3.1A)
 1.05A 3tj7C-2p6pA:
undetectable
3tj7D-2p6pA:
undetectable		 3tj7C-2p6pA:
16.36
3tj7D-2p6pA:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v40 ADENYLOSUCCINATE
SYNTHETASE ISOZYME 2

(Homo sapiens) 		PF00709
(Adenylsucc_synt) 		4 VAL A  70
HIS A  68
SER A  84
GLY A  85
 None
GDP  A1457 (-4.3A)
None
None
 1.11A 3tj7C-2v40A:
undetectable
3tj7D-2v40A:
undetectable		 3tj7C-2v40A:
17.96
3tj7D-2v40A:
17.96
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.
2wmp PAPG PROTEIN

(Escherichia
coli) 		PF03628
(PapG_C) 		4 SER B 266
THR B 288
TYR B 220
GLY B 290
 None
 1.08A 3tj7C-2wmpB:
undetectable
3tj7D-2wmpB:
undetectable		 3tj7C-2wmpB:
20.53
3tj7D-2wmpB:
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.
3fpc NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Entamoeba
histolytica;
Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 VAL A 178
SER A 182
THR A 154
GLY A 158
 None
None
CAC  A 354 (-3.2A)
None
 0.96A 3tj7C-3fpcA:
undetectable
3tj7D-3fpcA:
undetectable		 3tj7C-3fpcA:
19.94
3tj7D-3fpcA:
19.94
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.
3fse TWO-DOMAIN PROTEIN
CONTAINING
DJ-1/THIJ/PFPI-LIKE
AND FERRITIN-LIKE
DOMAINS

(Trichormus
variabilis) 		PF01965
(DJ-1_PfpI)
PF09537
(DUF2383) 		4 VAL A 151
THR A 158
TYR A 145
GLY A 130
 None
None
None
CSX  A 111 ( 3.5A)
 0.99A 3tj7C-3fseA:
undetectable
3tj7D-3fseA:
undetectable		 3tj7C-3fseA:
20.06
3tj7D-3fseA:
20.06
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.
3gas HEME OXYGENASE

(Helicobacter
pylori) 		PF01243
(Putative_PNPOx)
PF10615
(DUF2470) 		4 VAL A 113
HIS A 111
THR A 105
GLY A 139
 None
 0.90A 3tj7C-3gasA:
undetectable
3tj7D-3gasA:
undetectable		 3tj7C-3gasA:
24.25
3tj7D-3gasA:
24.25
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.
3gbn FAB HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL H 100
HIS H  95
SER H  35
GLY H  49
 None
 1.13A 3tj7C-3gbnH:
undetectable
3tj7D-3gbnH:
undetectable		 3tj7C-3gbnH:
21.05
3tj7D-3gbnH:
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.
3h3h UNCHARACTERIZED
SNOAL-LIKE PROTEIN

(Burkholderia
thailandensis) 		PF12680
(SnoaL_2) 		4 VAL A 103
HIS A 105
SER A  87
GLY A  84
 None
 0.98A 3tj7C-3h3hA:
undetectable
3tj7D-3h3hA:
undetectable		 3tj7C-3h3hA:
19.70
3tj7D-3h3hA:
19.70
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.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 VAL A 346
HIS A  94
SER A 349
GLY A 354
 None
 1.07A 3tj7C-3hpaA:
undetectable
3tj7D-3hpaA:
undetectable		 3tj7C-3hpaA:
16.67
3tj7D-3hpaA:
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.
3jcl SPIKE GLYCOPROTEIN

(Murine
coronavirus) 		PF01601
(Corona_S2)
PF09408
(Spike_rec_bind)
PF16451
(Spike_NTD) 		4 VAL A1118
SER A1116
THR A 756
GLY A 758
 None
 0.91A 3tj7C-3jclA:
undetectable
3tj7D-3jclA:
1.5		 3tj7C-3jclA:
9.90
3tj7D-3jclA:
9.90
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.
3l91 ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ
SUBUNIT BETA

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		4 VAL B 422
HIS B 291
SER B 420
THR B 467
 None
 1.09A 3tj7C-3l91B:
undetectable
3tj7D-3l91B:
undetectable		 3tj7C-3l91B:
16.05
3tj7D-3l91B:
16.05
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.
3mh9 LIPOPROTEIN LPRG

(Mycobacterium
tuberculosis) 		no annotation 4 VAL C  61
HIS C  59
SER C 222
THR C 220
 None
 1.08A 3tj7C-3mh9C:
undetectable
3tj7D-3mh9C:
1.1		 3tj7C-3mh9C:
23.21
3tj7D-3mh9C:
23.21
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.
3mzo LIN2634 PROTEIN

(Listeria
innocua) 		PF12917
(HD_2) 		4 VAL A  37
HIS A  33
SER A  34
THR A  38
 None
CA  A 301 (-3.8A)
None
None
 1.10A 3tj7C-3mzoA:
undetectable
3tj7D-3mzoA:
undetectable		 3tj7C-3mzoA:
21.21
3tj7D-3mzoA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		4 VAL A 223
HIS A 225
SER A 230
THR A 232
 None
 0.56A 3tj7C-3nzuA:
undetectable
3tj7D-3nzuA:
undetectable		 3tj7C-3nzuA:
11.72
3tj7D-3nzuA:
11.72
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.
3pqu TRANSFERRIN BINDING
PROTEIN B

(Actinobacillus
suis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		4 HIS A 112
SER A 113
TYR A 161
GLY A 131
 None
 1.13A 3tj7C-3pquA:
undetectable
3tj7D-3pquA:
2.7		 3tj7C-3pquA:
15.41
3tj7D-3pquA:
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.
3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)

(Mycobacterium
ulcerans) 		PF01053
(Cys_Met_Meta_PP) 		4 VAL A 217
SER A  85
THR A 207
GLY A  86
 LLP  A 208 ( 4.9A)
LLP  A 208 ( 3.5A)
LLP  A 208 (-3.4A)
LLP  A 208 ( 3.4A)
 1.12A 3tj7C-3qi6A:
undetectable
3tj7D-3qi6A:
undetectable		 3tj7C-3qi6A:
17.09
3tj7D-3qi6A:
17.09
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.
3tej ENTEROBACTIN
SYNTHASE COMPONENT F

(Escherichia
coli) 		PF00550
(PP-binding)
PF00975
(Thioesterase) 		4 HIS A1072
SER A1099
THR A1056
GLY A1104
 None
 0.95A 3tj7C-3tejA:
undetectable
3tj7D-3tejA:
undetectable		 3tj7C-3tejA:
19.94
3tj7D-3tejA:
19.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tj7 GBAA_1210 PROTEIN

(Bacillus
anthracis) 		PF01928
(CYTH) 		4 VAL A  34
HIS A  36
SER A 118
THR A 120
 SO4  A 603 ( 4.0A)
SO4  A 603 ( 3.5A)
ACT  A 604 ( 4.9A)
None
 0.07A 3tj7C-3tj7A:
29.8
3tj7D-3tj7A:
28.8		 3tj7C-3tj7A:
100.00
3tj7D-3tj7A:
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.
3v8u TRANSFERRIN
BINDING-PROTEIN B

(Neisseria
meningitidis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		4 VAL A 187
HIS A 189
THR A 243
GLY A 241
 None
 1.04A 3tj7C-3v8uA:
undetectable
3tj7D-3v8uA:
2.3		 3tj7C-3v8uA:
14.63
3tj7D-3v8uA:
14.63
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.
3ve2 TRANSFERRIN-BINDING
PROTEIN 2

(Neisseria
meningitidis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		4 VAL A 185
HIS A 187
THR A 241
GLY A 239
 None
 1.00A 3tj7C-3ve2A:
undetectable
3tj7D-3ve2A:
2.2		 3tj7C-3ve2A:
16.41
3tj7D-3ve2A:
16.41
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.
3vti HYDROGENASE
MATURATION FACTOR

(Caldanaerobacter
subterraneus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 VAL C 214
HIS C 193
SER C 212
GLY C  83
 None
 1.09A 3tj7C-3vtiC:
undetectable
3tj7D-3vtiC:
undetectable		 3tj7C-3vtiC:
22.08
3tj7D-3vtiC:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vu2 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		4 VAL A 272
HIS A 275
SER A 274
GLY A 345
 None
 1.08A 3tj7C-3vu2A:
undetectable
3tj7D-3vu2A:
undetectable		 3tj7C-3vu2A:
14.53
3tj7D-3vu2A:
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.
3wqo UNCHARACTERIZED
PROTEIN MJ1311

(Methanocaldococcus
jannaschii) 		PF01261
(AP_endonuc_2) 		4 VAL A 256
HIS A 218
SER A 258
GLY A  20
 None
 1.05A 3tj7C-3wqoA:
undetectable
3tj7D-3wqoA:
undetectable		 3tj7C-3wqoA:
20.53
3tj7D-3wqoA:
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.
3zrp SERINE-PYRUVATE
AMINOTRANSFERASE
(AGXT)

(Sulfolobus
solfataricus) 		PF00266
(Aminotran_5) 		4 SER A 167
THR A 185
TYR A 183
GLY A 164
 None
 1.15A 3tj7C-3zrpA:
undetectable
3tj7D-3zrpA:
undetectable		 3tj7C-3zrpA:
17.97
3tj7D-3zrpA:
17.97
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.
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		4 HIS V 598
THR V 603
TYR V 888
GLY V 601
 None
 1.04A 3tj7C-4bxsV:
undetectable
3tj7D-4bxsV:
undetectable		 3tj7C-4bxsV:
8.73
3tj7D-4bxsV:
8.73
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.
4con ANAEROBIC
RIBONUCLEOSIDE-TRIPH
OSPHATE REDUCTASE

(Thermotoga
maritima) 		PF13597
(NRDD) 		4 VAL A 371
HIS A 114
THR A 437
GLY A 439
 None
CIT  A1589 (-4.0A)
None
None
 1.06A 3tj7C-4conA:
undetectable
3tj7D-4conA:
undetectable		 3tj7C-4conA:
15.11
3tj7D-4conA:
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.
4cot EXTRACELLULAR
ENDO-ALPHA-(1->5)-L-
ARABINANASE 2

(Bacillus
subtilis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		4 HIS A  37
THR A 336
TYR A 252
GLY A 317
 TRS  A1471 (-4.4A)
None
None
None
 0.97A 3tj7C-4cotA:
undetectable
3tj7D-4cotA:
undetectable		 3tj7C-4cotA:
18.98
3tj7D-4cotA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 VAL A 219
SER A 221
TYR A 364
GLY A 306
 None
 0.98A 3tj7C-4cw4A:
undetectable
3tj7D-4cw4A:
undetectable		 3tj7C-4cw4A:
16.04
3tj7D-4cw4A:
16.04
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.
4gak ACYL-ACP
THIOESTERASE

(Spirosoma
linguale) 		PF01643
(Acyl-ACP_TE) 		4 VAL A 226
HIS A 228
SER A 218
THR A 220
 None
 0.54A 3tj7C-4gakA:
undetectable
3tj7D-4gakA:
undetectable		 3tj7C-4gakA:
21.32
3tj7D-4gakA:
21.32
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.
4ge0 UNCHARACTERIZED
PROTEIN C22E12.03C

(Schizosaccharomyces
pombe) 		PF01965
(DJ-1_PfpI) 		4 VAL A 150
THR A 157
TYR A 144
GLY A 129
 None
 0.99A 3tj7C-4ge0A:
undetectable
3tj7D-4ge0A:
undetectable		 3tj7C-4ge0A:
22.62
3tj7D-4ge0A:
22.62
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.
4gu3 OUTER CAPSID PROTEIN
SIGMA-1

(Mammalian
orthoreovirus) 		PF01664
(Reo_sigma1) 		4 VAL A 456
HIS A 453
SER A 376
THR A 374
 None
 1.07A 3tj7C-4gu3A:
undetectable
3tj7D-4gu3A:
undetectable		 3tj7C-4gu3A:
21.99
3tj7D-4gu3A:
21.99
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.
4gu3 OUTER CAPSID PROTEIN
SIGMA-1

(Mammalian
orthoreovirus) 		PF01664
(Reo_sigma1) 		4 VAL A 456
HIS A 453
THR A 374
TYR A 343
 None
 0.86A 3tj7C-4gu3A:
undetectable
3tj7D-4gu3A:
undetectable		 3tj7C-4gu3A:
21.99
3tj7D-4gu3A:
21.99
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.
4gx8 DNA POLYMERASE III
SUBUNIT EPSILON,DNA
POLYMERASE III
SUBUNIT ALPHA

(Escherichia
coli) 		PF02811
(PHP) 		4 VAL A 184
SER A 177
TYR A 226
GLY A 179
 None
 1.06A 3tj7C-4gx8A:
undetectable
3tj7D-4gx8A:
undetectable		 3tj7C-4gx8A:
20.13
3tj7D-4gx8A:
20.13
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.
4i2o FIXK2 PROTEIN

(Bradyrhizobium
japonicum) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		4 VAL A  69
HIS A  86
SER A  71
TYR A  52
 None
 1.07A 3tj7C-4i2oA:
undetectable
3tj7D-4i2oA:
undetectable		 3tj7C-4i2oA:
21.01
3tj7D-4i2oA:
21.01
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.
4ixo NIFS-LIKE PROTEIN

(Rickettsia
africae) 		PF00266
(Aminotran_5) 		4 VAL A 172
SER A 193
THR A 191
GLY A  72
 LLP  A 196 ( 4.3A)
LLP  A 196 ( 2.7A)
None
LLP  A 196 ( 3.5A)
 1.15A 3tj7C-4ixoA:
undetectable
3tj7D-4ixoA:
undetectable		 3tj7C-4ixoA:
20.17
3tj7D-4ixoA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED

(Xanthomonas
oryzae) 		PF01053
(Cys_Met_Meta_PP) 		4 VAL B 219
SER B  87
THR B 209
GLY B  88
 LLP  B 210 ( 4.8A)
LLP  B 210 ( 3.7A)
LLP  B 210 ( 3.5A)
LLP  B 210 ( 3.3A)
 1.11A 3tj7C-4iyoB:
undetectable
3tj7D-4iyoB:
undetectable		 3tj7C-4iyoB:
18.23
3tj7D-4iyoB:
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.
4jgt 3-MERCAPTOPYRUVATE
SULFURTRANSFERASE

(Homo sapiens) 		PF00581
(Rhodanese) 		5 VAL A 252
HIS A  74
SER A 250
THR A 253
GLY A 249
 PYR  A 401 ( 4.4A)
None
PYR  A 401 (-2.3A)
PYR  A 401 ( 4.6A)
PYR  A 401 (-3.6A)
 1.19A 3tj7C-4jgtA:
undetectable
3tj7D-4jgtA:
undetectable		 3tj7C-4jgtA:
16.08
3tj7D-4jgtA:
16.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4krf PROTEIN ARGONAUTE-1

(Homo sapiens) 		PF02170
(PAZ)
PF02171
(Piwi)
PF08699
(ArgoL1)
PF16486
(ArgoN)
PF16487
(ArgoMid)
PF16488
(ArgoL2) 		4 VAL A 596
HIS A 598
SER A 608
THR A 610
 None
 0.70A 3tj7C-4krfA:
undetectable
3tj7D-4krfA:
undetectable		 3tj7C-4krfA:
13.22
3tj7D-4krfA:
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.
4l0o CYSTATHIONINE
GAMMA-SYNTHASE

(Helicobacter
pylori) 		no annotation 4 VAL H 204
SER H  73
THR H 194
GLY H  74
 PLP  H 401 ( 4.9A)
PLP  H 401 (-3.5A)
PLP  H 401 (-3.3A)
PLP  H 401 (-3.2A)
 1.11A 3tj7C-4l0oH:
undetectable
3tj7D-4l0oH:
undetectable		 3tj7C-4l0oH:
19.84
3tj7D-4l0oH:
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.
4lru GLYOXALASE III
(GLUTATHIONE-INDEPEN
DENT)

(Candida
albicans) 		PF01965
(DJ-1_PfpI) 		4 VAL A 208
THR A 215
TYR A 196
GLY A 162
 None
 0.88A 3tj7C-4lruA:
undetectable
3tj7D-4lruA:
undetectable		 3tj7C-4lruA:
20.08
3tj7D-4lruA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4odb OUTER CAPSID PROTEIN
SIGMA-1

(Mammalian
orthoreovirus) 		PF01664
(Reo_sigma1) 		4 VAL A 456
HIS A 453
THR A 374
TYR A 343
 None
 0.86A 3tj7C-4odbA:
undetectable
3tj7D-4odbA:
undetectable		 3tj7C-4odbA:
19.81
3tj7D-4odbA:
19.81
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.
4oou BETA-1,4-MANNANASE

(Cryptopygus
antarcticus) 		no annotation 4 VAL B  84
HIS B  85
SER B  91
GLY B  54
 None
 1.04A 3tj7C-4oouB:
undetectable
3tj7D-4oouB:
undetectable		 3tj7C-4oouB:
19.79
3tj7D-4oouB:
19.79
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.
4opm LIPASE

(Acinetobacter
baumannii) 		PF12697
(Abhydrolase_6) 		4 HIS A  75
SER A 105
THR A 108
GLY A 104
 None
 1.08A 3tj7C-4opmA:
undetectable
3tj7D-4opmA:
undetectable		 3tj7C-4opmA:
22.01
3tj7D-4opmA:
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.
4q98 MAJOR FIMBRIAL
SUBUNIT PROTEIN

(Porphyromonas
gingivalis) 		PF06321
(P_gingi_FimA)
PF15495
(Fimbrillin_C) 		4 HIS A 149
SER A  36
THR A  34
GLY A  86
 None
 0.79A 3tj7C-4q98A:
undetectable
3tj7D-4q98A:
undetectable		 3tj7C-4q98A:
18.50
3tj7D-4q98A:
18.50
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.
4qa8 PUTATIVE LIPOPROTEIN
LPRF

(Mycobacterium
bovis) 		PF07161
(LppX_LprAFG) 		4 VAL A  78
HIS A  76
SER A 248
THR A 246
 None
 1.14A 3tj7C-4qa8A:
undetectable
3tj7D-4qa8A:
1.1		 3tj7C-4qa8A:
22.26
3tj7D-4qa8A:
22.26
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.
4qeo HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH4

(Arabidopsis
thaliana) 		PF00856
(SET)
PF02182
(SAD_SRA)
PF05033
(Pre-SET) 		4 VAL A 202
SER A 204
THR A 259
GLY A 261
 None
 0.89A 3tj7C-4qeoA:
undetectable
3tj7D-4qeoA:
undetectable		 3tj7C-4qeoA:
17.72
3tj7D-4qeoA:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qnl TAIL FIBER PROTEIN

(Escherichia
virus G7C) 		no annotation 4 VAL A  41
SER A  43
THR A  68
GLY A  66
 None
 1.11A 3tj7C-4qnlA:
undetectable
3tj7D-4qnlA:
undetectable		 3tj7C-4qnlA:
12.46
3tj7D-4qnlA:
12.46
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.
4rhz CRY37AA1

(Bacillus
thuringiensis) 		no annotation 4 VAL B 106
SER B 100
THR B 105
TYR B 121
 None
 1.14A 3tj7C-4rhzB:
undetectable
3tj7D-4rhzB:
undetectable		 3tj7C-4rhzB:
19.05
3tj7D-4rhzB:
19.05
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.
4u2n ZINC FINGER AND BTB
DOMAIN-CONTAINING
PROTEIN 17,NUCLEUS
ACCUMBENS-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF00651
(BTB) 		4 VAL A  10
HIS A   6
SER A   7
GLY A 139
 None
 1.05A 3tj7C-4u2nA:
undetectable
3tj7D-4u2nA:
undetectable		 3tj7C-4u2nA:
20.38
3tj7D-4u2nA:
20.38
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.
4xc5 OUTER CAPSID PROTEIN
SIGMA-1

(Mammalian
orthoreovirus) 		PF01664
(Reo_sigma1) 		4 VAL A 456
HIS A 453
SER A 376
THR A 374
 None
None
MG  A 502 (-3.4A)
None
 1.08A 3tj7C-4xc5A:
undetectable
3tj7D-4xc5A:
undetectable		 3tj7C-4xc5A:
23.25
3tj7D-4xc5A:
23.25
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.
4xc5 OUTER CAPSID PROTEIN
SIGMA-1

(Mammalian
orthoreovirus) 		PF01664
(Reo_sigma1) 		4 VAL A 456
HIS A 453
THR A 374
TYR A 343
 None
 0.86A 3tj7C-4xc5A:
undetectable
3tj7D-4xc5A:
undetectable		 3tj7C-4xc5A:
23.25
3tj7D-4xc5A:
23.25
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.
4xg0 UNCHARACTERIZED
PROTEIN

(Bordetella
bronchiseptica) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		4 VAL A 241
SER A 243
THR A 336
GLY A 383
 None
CL  A 502 ( 3.7A)
None
CL  A 502 ( 4.9A)
 1.02A 3tj7C-4xg0A:
undetectable
3tj7D-4xg0A:
undetectable		 3tj7C-4xg0A:
16.91
3tj7D-4xg0A:
16.91
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.
4xu4 UNCHARACTERIZED
PROTEIN

(Mycolicibacterium
vanbaalenii) 		no annotation 4 VAL A  28
HIS A  24
SER A  25
THR A  29
 None
 1.12A 3tj7C-4xu4A:
undetectable
3tj7D-4xu4A:
undetectable		 3tj7C-4xu4A:
22.62
3tj7D-4xu4A:
22.62
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.
5elp NRPS/PKS PROTEIN

(Bacillus
amyloliquefaciens) 		no annotation 4 HIS C 178
SER C 125
THR C 209
GLY C 207
 None
 1.03A 3tj7C-5elpC:
undetectable
3tj7D-5elpC:
undetectable		 3tj7C-5elpC:
14.81
3tj7D-5elpC:
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.
5eue PUTATIVE
SPHINGOSINE-1-PHOSPH
ATE LYASE

(Symbiobacterium
thermophilum) 		PF00282
(Pyridoxal_deC) 		4 VAL A 407
HIS A 441
SER A 101
GLY A 102
 None
None
None
PO4  A 602 ( 3.8A)
 1.06A 3tj7C-5eueA:
undetectable
3tj7D-5eueA:
undetectable		 3tj7C-5eueA:
16.67
3tj7D-5eueA:
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.
5fbz ENZYME SUBTILASE
SUBHAL FROM BACILLUS
HALMAPALUS

(Bacillus
halmapalus) 		PF00082
(Peptidase_S8)
PF04151
(PPC) 		4 VAL A 201
SER A 205
THR A 184
GLY A 182
 None
 0.69A 3tj7C-5fbzA:
undetectable
3tj7D-5fbzA:
undetectable		 3tj7C-5fbzA:
17.97
3tj7D-5fbzA:
17.97
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.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		4 VAL A 272
SER A 261
THR A 263
GLY A 205
 GOL  A 402 (-4.3A)
None
None
None
 0.72A 3tj7C-5hctA:
undetectable
3tj7D-5hctA:
undetectable		 3tj7C-5hctA:
18.36
3tj7D-5hctA:
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.
5hp6 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF13385
(Laminin_G_3)
PF16369
(GH43_C) 		4 HIS A  54
THR A 413
TYR A 332
GLY A 394
 TRS  A 903 (-4.4A)
None
None
None
 1.02A 3tj7C-5hp6A:
undetectable
3tj7D-5hp6A:
undetectable		 3tj7C-5hp6A:
13.21
3tj7D-5hp6A:
13.21
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.
5jwz CELLULOSE-BINDING
FAMILY II

(Streptomyces
sp. SirexAA-E) 		PF02012
(BNR) 		4 SER A 263
THR A 261
TYR A 319
GLY A 300
 None
 0.95A 3tj7C-5jwzA:
undetectable
3tj7D-5jwzA:
undetectable		 3tj7C-5jwzA:
12.29
3tj7D-5jwzA:
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.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT

(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B)
PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		4 VAL A 460
HIS B 100
SER A 463
TYR A 417
 None
 1.11A 3tj7C-5l9wA:
undetectable
3tj7D-5l9wA:
0.8		 3tj7C-5l9wA:
14.79
3tj7D-5l9wA:
14.79
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.
5ool 39S RIBOSOMAL
PROTEIN L45,
MITOCHONDRIAL

(Homo sapiens) 		PF00181
(Ribosomal_L2)
PF03947
(Ribosomal_L2_C) 		4 VAL d 195
HIS d 193
THR d 213
TYR d 245
 None
 1.14A 3tj7C-5oold:
undetectable
3tj7D-5oold:
undetectable		 3tj7C-5oold:
21.02
3tj7D-5oold:
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.
5opt 40S RIBOSOMAL
PROTEIN S11,
PUTATIVE

(Trypanosoma
cruzi) 		no annotation 4 VAL X 100
HIS X  91
SER X 121
THR X 123
 C  E 396 ( 4.9A)
None
G  E 397 ( 3.4A)
None
 0.94A 3tj7C-5optX:
undetectable
3tj7D-5optX:
undetectable		 3tj7C-5optX:
16.75
3tj7D-5optX:
16.75
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.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		4 VAL A 272
SER A 261
THR A 263
GLY A 205
 None
 0.74A 3tj7C-5p60A:
undetectable
3tj7D-5p60A:
undetectable		 3tj7C-5p60A:
18.15
3tj7D-5p60A:
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.
5ubk ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		4 VAL A 206
HIS A  75
SER A 204
THR A 251
 None
 1.07A 3tj7C-5ubkA:
undetectable
3tj7D-5ubkA:
undetectable		 3tj7C-5ubkA:
13.38
3tj7D-5ubkA:
13.38
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.
5wqk SULFURTRANSFERASE

(Mus musculus) 		PF00581
(Rhodanese) 		5 VAL A 252
HIS A  74
SER A 250
THR A 253
GLY A 249
 7NC  A 301 ( 4.3A)
7NC  A 301 ( 4.2A)
7NC  A 301 ( 2.8A)
7NC  A 301 ( 4.4A)
7NC  A 301 (-3.5A)
 1.26A 3tj7C-5wqkA:
undetectable
3tj7D-5wqkA:
undetectable		 3tj7C-5wqkA:
17.43
3tj7D-5wqkA:
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.
5x5h CYSTATHIONINE
BETA-LYASES/CYSTATHI
ONINE
GAMMA-SYNTHASES

(Corynebacterium
glutamicum) 		PF01053
(Cys_Met_Meta_PP) 		4 VAL A 213
SER A  81
THR A 203
GLY A  82
 PLP  A 401 ( 4.9A)
PLP  A 401 (-3.7A)
PLP  A 401 (-3.4A)
PLP  A 401 (-3.3A)
 1.09A 3tj7C-5x5hA:
undetectable
3tj7D-5x5hA:
undetectable		 3tj7C-5x5hA:
20.94
3tj7D-5x5hA:
20.94
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.
6b3o SPIKE GLYCOPROTEIN

(Murine
coronavirus) 		PF01601
(Corona_S2) 		4 VAL A1118
SER A1116
THR A 756
GLY A 758
 None
 1.00A 3tj7C-6b3oA:
undetectable
3tj7D-6b3oA:
undetectable		 3tj7C-6b3oA:
17.31
3tj7D-6b3oA:
17.31
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.
6cjb CYSTATHIONINE
BETA-LYASE

(Legionella
pneumophila) 		no annotation 4 VAL A 208
SER A  76
THR A 198
GLY A  77
 LLP  A 199 ( 4.8A)
LLP  A 199 ( 3.5A)
LLP  A 199 ( 3.3A)
LLP  A 199 ( 3.2A)
 1.07A 3tj7C-6cjbA:
undetectable
3tj7D-6cjbA:
undetectable		 3tj7C-6cjbA:
undetectable
3tj7D-6cjbA:
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.
6dd3 CYTOSOLIC PURINE
5'-NUCLEOTIDASE

(Homo sapiens) 		no annotation 4 VAL A 205
HIS A 209
THR A  73
GLY A  69
 None
 1.02A 3tj7C-6dd3A:
undetectable
3tj7D-6dd3A:
undetectable		 3tj7C-6dd3A:
undetectable
3tj7D-6dd3A:
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.
6egx STRUCTURAL PROTEIN
VP1
STRUCTURAL PROTEIN
VP2

(Sacbrood virus;
Sacbrood virus) 		no annotation
no annotation 		4 VAL A 176
HIS B 174
THR A 194
GLY A 192
 None
 1.02A 3tj7C-6egxA:
undetectable
3tj7D-6egxA:
undetectable		 3tj7C-6egxA:
undetectable
3tj7D-6egxA:
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.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 4 VAL A 540
SER A 538
THR A 515
GLY A 517
 None
 1.13A 3tj7C-6eojA:
undetectable
3tj7D-6eojA:
undetectable		 3tj7C-6eojA:
9.60
3tj7D-6eojA:
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.
6flz -

(-) 		no annotation 4 VAL A  92
SER A  94
THR A  82
GLY A  80
 None
 1.15A 3tj7C-6flzA:
undetectable
3tj7D-6flzA:
undetectable		 3tj7C-6flzA:
undetectable
3tj7D-6flzA:
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.
6gh2 LAMINARIBIOSE
PHOSPHORYLASE

(Paenibacillus
sp. YM1) 		no annotation 4 VAL A 116
HIS A 114
SER A 131
THR A 129
 None
 1.12A 3tj7C-6gh2A:
undetectable
3tj7D-6gh2A:
1.4		 3tj7C-6gh2A:
undetectable
3tj7D-6gh2A:
undetectable