SIMILAR PATTERNS OF AMINO ACIDS FOR 3TJ7_A_ACTA604_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 GLY A 167
VAL A 310
HIS A 138
THR A 281
 None
 1.15A 3tj7A-1a2oA:
0.0
3tj7B-1a2oA:
0.0		 3tj7A-1a2oA:
20.12
3tj7B-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 GLY A  86
VAL A 218
SER A  85
THR A 208
 PLP  A 405 (-3.1A)
PLP  A 405 ( 4.6A)
PLP  A 405 (-3.7A)
PLP  A 405 (-3.5A)
 1.09A 3tj7A-1e5fA:
0.0
3tj7B-1e5fA:
0.0		 3tj7A-1e5fA:
18.09
3tj7B-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 GLY A 352
HIS A 358
SER A 337
THR A 354
 None
 1.11A 3tj7A-1i5pA:
0.0
3tj7B-1i5pA:
0.0		 3tj7A-1i5pA:
14.46
3tj7B-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.
1okg POSSIBLE
3-MERCAPTOPYRUVATE
SULFURTRANSFERASE

(Leishmania
major) 		PF00581
(Rhodanese)
PF09122
(DUF1930) 		5 GLY A 254
VAL A 257
HIS A  75
SER A 255
THR A 258
 SO3  A1374 (-3.3A)
None
None
SO3  A1374 (-3.5A)
SO3  A1374 ( 4.5A)
 1.31A 3tj7A-1okgA:
0.0
3tj7B-1okgA:
0.0		 3tj7A-1okgA:
17.20
3tj7B-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 GLY C 197
VAL C  53
SER C  45
THR C  54
 None
 1.14A 3tj7A-1pfxC:
0.0
3tj7B-1pfxC:
0.0		 3tj7A-1pfxC:
21.95
3tj7B-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 GLY A 180
VAL A 186
SER A 184
THR A 178
 None
 1.07A 3tj7A-1pguA:
0.0
3tj7B-1pguA:
0.0		 3tj7A-1pguA:
15.13
3tj7B-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.
1sp4 CATHEPSIN B

(Bos taurus) 		PF00112
(Peptidase_C1) 		5 TYR B 136
GLY B  99
VAL B  52
HIS B 145
SER B  90
 None
 1.48A 3tj7A-1sp4B:
0.0
3tj7B-1sp4B:
0.0		 3tj7A-1sp4B:
21.93
3tj7B-1sp4B:
21.93
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.
1u1h 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Arabidopsis
thaliana) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 GLY A 291
VAL A   6
HIS A   4
SER A 325
 None
 1.03A 3tj7A-1u1hA:
0.0
3tj7B-1u1hA:
0.0		 3tj7A-1u1hA:
13.78
3tj7B-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
 0.47A 3tj7A-1uewA:
undetectable
3tj7B-1uewA:
undetectable		 3tj7A-1uewA:
14.57
3tj7B-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 GLY A  38
VAL A 102
HIS A 100
SER A  63
THR A  65
 None
 0.97A 3tj7A-1ur1A:
undetectable
3tj7B-1ur1A:
undetectable		 3tj7A-1ur1A:
20.22
3tj7B-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 TYR A 290
GLY A 266
VAL A 230
THR A 229
 None
 1.07A 3tj7A-1vlpA:
undetectable
3tj7B-1vlpA:
undetectable		 3tj7A-1vlpA:
17.01
3tj7B-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.
1y9a NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Entamoeba
histolytica) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLY A 158
VAL A 178
SER A 182
THR A 154
 None
None
None
CAC  A1001 (-3.3A)
 0.96A 3tj7A-1y9aA:
undetectable
3tj7B-1y9aA:
undetectable		 3tj7A-1y9aA:
19.10
3tj7B-1y9aA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ayx SENSOR KINASE
PROTEIN RCSC

(Escherichia
coli) 		PF00072
(Response_reg)
PF09456
(RcsC) 		4 GLY A 901
VAL A 876
SER A 874
THR A 903
 None
 0.95A 3tj7A-2ayxA:
undetectable
3tj7B-2ayxA:
undetectable		 3tj7A-2ayxA:
20.15
3tj7B-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.
2b5d ALPHA-AMYLASE

(Thermotoga
maritima) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		4 GLY X 180
VAL X 167
HIS X 177
THR X 141
 None
 1.12A 3tj7A-2b5dX:
undetectable
3tj7B-2b5dX:
undetectable		 3tj7A-2b5dX:
14.67
3tj7B-2b5dX:
14.67
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.
2beo LISTERIOLYSIN
REGULATORY PROTEIN

(Listeria
monocytogenes) 		PF13545
(HTH_Crp_2) 		4 GLY A  44
VAL A  87
SER A  89
THR A  46
 None
 0.79A 3tj7A-2beoA:
undetectable
3tj7B-2beoA:
undetectable		 3tj7A-2beoA:
22.44
3tj7B-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 TYR A 226
GLY A 199
HIS A 142
SER A 172
 NDP  A1361 (-3.3A)
None
FLC  A1362 ( 3.9A)
NDP  A1361 (-2.7A)
 1.09A 3tj7A-2bp1A:
undetectable
3tj7B-2bp1A:
undetectable		 3tj7A-2bp1A:
18.33
3tj7B-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.
2dh8 DAZ-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF00076
(RRM_1) 		4 VAL A  67
HIS A  73
SER A  70
THR A  66
 None
 1.08A 3tj7A-2dh8A:
undetectable
3tj7B-2dh8A:
undetectable		 3tj7A-2dh8A:
19.29
3tj7B-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 TYR A 138
GLY A 120
VAL A 145
THR A 152
 None
 0.89A 3tj7A-2fexA:
undetectable
3tj7B-2fexA:
undetectable		 3tj7A-2fexA:
21.24
3tj7B-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 GLY A   4
VAL A  60
HIS A  90
SER A  63
THR A  59
 None
 1.25A 3tj7A-2gr9A:
undetectable
3tj7B-2gr9A:
undetectable		 3tj7A-2gr9A:
19.64
3tj7B-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)
 0.74A 3tj7A-2i9xA:
undetectable
3tj7B-2i9xA:
undetectable		 3tj7A-2i9xA:
20.21
3tj7B-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
 0.71A 3tj7A-2i9zA:
undetectable
3tj7B-2i9zA:
undetectable		 3tj7A-2i9zA:
25.15
3tj7B-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
 0.30A 3tj7A-2ia9A:
undetectable
3tj7B-2ia9A:
undetectable		 3tj7A-2ia9A:
19.19
3tj7B-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.
2ipp CATHEPSIN B

(Homo sapiens) 		PF00112
(Peptidase_C1) 		5 TYR B 136
GLY B  99
VAL B  52
HIS B 145
SER B  90
 None
 1.48A 3tj7A-2ippB:
undetectable
3tj7B-2ippB:
undetectable		 3tj7A-2ippB:
19.38
3tj7B-2ippB:
19.38
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.
2ja2 GLUTAMYL-TRNA
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00749
(tRNA-synt_1c) 		4 GLY A 192
VAL A 156
HIS A 109
THR A 188
 None
 1.13A 3tj7A-2ja2A:
undetectable
3tj7B-2ja2A:
undetectable		 3tj7A-2ja2A:
15.27
3tj7B-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 GLY B 635
VAL B 682
SER B 613
THR B 615
 None
 0.92A 3tj7A-2m41B:
undetectable
3tj7B-2m41B:
undetectable		 3tj7A-2m41B:
19.19
3tj7B-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.
2oiw PUTATIVE
4-HYDROXYBENZOYL-COA
THIOESTERASE

(Geobacillus
stearothermophilus) 		PF03061
(4HBT) 		4 GLY A  79
VAL A 102
SER A  82
THR A  84
 None
 1.00A 3tj7A-2oiwA:
undetectable
3tj7B-2oiwA:
undetectable		 3tj7A-2oiwA:
24.39
3tj7B-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 GLY A 330
HIS A 273
SER A 298
THR A 325
 None
GUN  A 600 (-3.9A)
GUN  A 600 ( 4.6A)
None
 0.82A 3tj7A-2oodA:
undetectable
3tj7B-2oodA:
undetectable		 3tj7A-2oodA:
17.46
3tj7B-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 TYR A 226
GLY A 289
HIS A 285
SER A 291
 None
GOL  A1005 ( 3.1A)
None
None
 1.08A 3tj7A-2p6pA:
undetectable
3tj7B-2p6pA:
undetectable		 3tj7A-2p6pA:
16.36
3tj7B-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 GLY A  85
VAL A  70
HIS A  68
SER A  84
 None
None
GDP  A1457 (-4.3A)
None
 1.11A 3tj7A-2v40A:
undetectable
3tj7B-2v40A:
undetectable		 3tj7A-2v40A:
17.96
3tj7B-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 TYR B 220
GLY B 290
SER B 266
THR B 288
 None
 1.08A 3tj7A-2wmpB:
undetectable
3tj7B-2wmpB:
undetectable		 3tj7A-2wmpB:
20.53
3tj7B-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.
3d3l ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Homo sapiens) 		PF00305
(Lipoxygenase) 		4 TYR A 474
VAL A 533
HIS A 392
THR A 530
 None
 0.98A 3tj7A-3d3lA:
undetectable
3tj7B-3d3lA:
undetectable		 3tj7A-3d3lA:
18.88
3tj7B-3d3lA:
18.88
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.
3fpc NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Entamoeba
histolytica;
Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLY A 158
VAL A 178
SER A 182
THR A 154
 None
None
None
CAC  A 354 (-3.2A)
 0.94A 3tj7A-3fpcA:
undetectable
3tj7B-3fpcA:
undetectable		 3tj7A-3fpcA:
19.94
3tj7B-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 TYR A 145
GLY A 130
VAL A 151
THR A 158
 None
CSX  A 111 ( 3.5A)
None
None
 0.97A 3tj7A-3fseA:
undetectable
3tj7B-3fseA:
undetectable		 3tj7A-3fseA:
20.06
3tj7B-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 GLY A 139
VAL A 113
HIS A 111
THR A 105
 None
 0.87A 3tj7A-3gasA:
undetectable
3tj7B-3gasA:
undetectable		 3tj7A-3gasA:
24.25
3tj7B-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.
3h3h UNCHARACTERIZED
SNOAL-LIKE PROTEIN

(Burkholderia
thailandensis) 		PF12680
(SnoaL_2) 		4 GLY A  84
VAL A 103
HIS A 105
SER A  87
 None
 0.95A 3tj7A-3h3hA:
undetectable
3tj7B-3h3hA:
undetectable		 3tj7A-3h3hA:
19.70
3tj7B-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 GLY A 354
VAL A 346
HIS A  94
SER A 349
 None
 1.10A 3tj7A-3hpaA:
undetectable
3tj7B-3hpaA:
undetectable		 3tj7A-3hpaA:
16.67
3tj7B-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 GLY A 758
VAL A1118
SER A1116
THR A 756
 None
 0.93A 3tj7A-3jclA:
undetectable
3tj7B-3jclA:
undetectable		 3tj7A-3jclA:
9.90
3tj7B-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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 VAL A 291
HIS A 265
SER A 267
THR A 292
 None
 1.13A 3tj7A-3jv7A:
undetectable
3tj7B-3jv7A:
undetectable		 3tj7A-3jv7A:
20.57
3tj7B-3jv7A:
20.57
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.
3k9m CATHEPSIN B

(Homo sapiens) 		PF00112
(Peptidase_C1) 		5 TYR A 136
GLY A  99
VAL A  52
HIS A 145
SER A  90
 None
 1.39A 3tj7A-3k9mA:
undetectable
3tj7B-3k9mA:
undetectable		 3tj7A-3k9mA:
20.70
3tj7B-3k9mA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.10A 3tj7A-3l91B:
undetectable
3tj7B-3l91B:
undetectable		 3tj7A-3l91B:
16.05
3tj7B-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.
3lv4 GLYCOSIDE HYDROLASE
YXIA

(Bacillus
licheniformis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		4 TYR A 256
GLY A 317
HIS A  41
THR A 336
 None
 1.00A 3tj7A-3lv4A:
undetectable
3tj7B-3lv4A:
undetectable		 3tj7A-3lv4A:
16.70
3tj7B-3lv4A:
16.70
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.
3mh9 LIPOPROTEIN LPRG

(Mycobacterium
tuberculosis) 		no annotation 4 VAL C  61
HIS C  59
SER C 222
THR C 220
 None
 1.09A 3tj7A-3mh9C:
undetectable
3tj7B-3mh9C:
undetectable		 3tj7A-3mh9C:
23.21
3tj7B-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
 1.11A 3tj7A-3mzoA:
undetectable
3tj7B-3mzoA:
undetectable		 3tj7A-3mzoA:
21.21
3tj7B-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
 0.58A 3tj7A-3nzuA:
undetectable
3tj7B-3nzuA:
undetectable		 3tj7A-3nzuA:
11.72
3tj7B-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.
3p3l CYTOCHROME P450

(Streptomyces
thioluteus) 		PF00067
(p450) 		4 GLY A  67
HIS A 353
SER A  66
THR A 295
 None
HEM  A 501 (-3.8A)
None
None
 1.14A 3tj7A-3p3lA:
undetectable
3tj7B-3p3lA:
undetectable		 3tj7A-3p3lA:
18.89
3tj7B-3p3lA:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pih UVRABC SYSTEM
PROTEIN A

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		4 TYR A 796
GLY A 542
HIS A  12
THR A 544
 None
 0.99A 3tj7A-3pihA:
undetectable
3tj7B-3pihA:
undetectable		 3tj7A-3pihA:
13.91
3tj7B-3pihA:
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.
3pqu TRANSFERRIN BINDING
PROTEIN B

(Actinobacillus
suis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		4 TYR A 161
GLY A 131
HIS A 112
SER A 113
 None
 1.11A 3tj7A-3pquA:
undetectable
3tj7B-3pquA:
undetectable		 3tj7A-3pquA:
15.41
3tj7B-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.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Escherichia
coli) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		4 GLY A 524
VAL A 566
HIS A 463
SER A 478
 None
 1.14A 3tj7A-3ps9A:
undetectable
3tj7B-3ps9A:
undetectable		 3tj7A-3ps9A:
15.34
3tj7B-3ps9A:
15.34
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.
3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)

(Mycobacterium
ulcerans) 		PF01053
(Cys_Met_Meta_PP) 		4 GLY A  86
VAL A 217
SER A  85
THR A 207
 LLP  A 208 ( 3.4A)
LLP  A 208 ( 4.9A)
LLP  A 208 ( 3.5A)
LLP  A 208 (-3.4A)
 1.14A 3tj7A-3qi6A:
undetectable
3tj7B-3qi6A:
undetectable		 3tj7A-3qi6A:
17.09
3tj7B-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 GLY A1104
HIS A1072
SER A1099
THR A1056
 None
 0.96A 3tj7A-3tejA:
undetectable
3tj7B-3tejA:
undetectable		 3tj7A-3tejA:
19.94
3tj7B-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
 0.13A 3tj7A-3tj7A:
32.3
3tj7B-3tj7A:
29.2		 3tj7A-3tj7A:
100.00
3tj7B-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 GLY A 241
VAL A 187
HIS A 189
THR A 243
 None
 1.03A 3tj7A-3v8uA:
undetectable
3tj7B-3v8uA:
undetectable		 3tj7A-3v8uA:
14.63
3tj7B-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 GLY A 239
VAL A 185
HIS A 187
THR A 241
 None
 0.98A 3tj7A-3ve2A:
undetectable
3tj7B-3ve2A:
undetectable		 3tj7A-3ve2A:
16.41
3tj7B-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 GLY C  83
VAL C 214
HIS C 193
SER C 212
 None
 1.07A 3tj7A-3vtiC:
undetectable
3tj7B-3vtiC:
undetectable		 3tj7A-3vtiC:
22.08
3tj7B-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 GLY A 345
VAL A 272
HIS A 275
SER A 274
 None
 1.11A 3tj7A-3vu2A:
undetectable
3tj7B-3vu2A:
undetectable		 3tj7A-3vu2A:
14.53
3tj7B-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 GLY A  20
VAL A 256
HIS A 218
SER A 258
 None
 1.07A 3tj7A-3wqoA:
undetectable
3tj7B-3wqoA:
undetectable		 3tj7A-3wqoA:
20.53
3tj7B-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.
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		4 TYR V 888
GLY V 601
HIS V 598
THR V 603
 None
 1.00A 3tj7A-4bxsV:
undetectable
3tj7B-4bxsV:
undetectable		 3tj7A-4bxsV:
8.73
3tj7B-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 GLY A 439
VAL A 371
HIS A 114
THR A 437
 None
None
CIT  A1589 (-4.0A)
None
 1.11A 3tj7A-4conA:
undetectable
3tj7B-4conA:
undetectable		 3tj7A-4conA:
15.11
3tj7B-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 TYR A 252
GLY A 317
HIS A  37
THR A 336
 None
None
TRS  A1471 (-4.4A)
None
 0.95A 3tj7A-4cotA:
undetectable
3tj7B-4cotA:
undetectable		 3tj7A-4cotA:
18.98
3tj7B-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 TYR A 364
GLY A 306
VAL A 219
SER A 221
 None
 0.96A 3tj7A-4cw4A:
undetectable
3tj7B-4cw4A:
undetectable		 3tj7A-4cw4A:
16.04
3tj7B-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
 0.50A 3tj7A-4gakA:
undetectable
3tj7B-4gakA:
undetectable		 3tj7A-4gakA:
21.32
3tj7B-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 TYR A 144
GLY A 129
VAL A 150
THR A 157
 None
 0.96A 3tj7A-4ge0A:
undetectable
3tj7B-4ge0A:
undetectable		 3tj7A-4ge0A:
22.62
3tj7B-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 TYR A 343
VAL A 456
HIS A 453
THR A 374
 None
 0.89A 3tj7A-4gu3A:
undetectable
3tj7B-4gu3A:
undetectable		 3tj7A-4gu3A:
21.99
3tj7B-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
SER A 376
THR A 374
 None
 1.11A 3tj7A-4gu3A:
undetectable
3tj7B-4gu3A:
undetectable		 3tj7A-4gu3A:
21.99
3tj7B-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 TYR A 226
GLY A 179
VAL A 184
SER A 177
 None
 1.12A 3tj7A-4gx8A:
undetectable
3tj7B-4gx8A:
undetectable		 3tj7A-4gx8A:
20.13
3tj7B-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.
4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED

(Xanthomonas
oryzae) 		PF01053
(Cys_Met_Meta_PP) 		4 GLY B  88
VAL B 219
SER B  87
THR B 209
 LLP  B 210 ( 3.3A)
LLP  B 210 ( 4.8A)
LLP  B 210 ( 3.7A)
LLP  B 210 ( 3.5A)
 1.13A 3tj7A-4iyoB:
undetectable
3tj7B-4iyoB:
undetectable		 3tj7A-4iyoB:
18.23
3tj7B-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) 		4 GLY A 249
VAL A 252
HIS A  74
THR A 253
 PYR  A 401 (-3.6A)
PYR  A 401 ( 4.4A)
None
PYR  A 401 ( 4.6A)
 1.04A 3tj7A-4jgtA:
undetectable
3tj7B-4jgtA:
undetectable		 3tj7A-4jgtA:
16.08
3tj7B-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.
4kc8 GLYCOSIDE HYDROLASE,
FAMILY 43

(Thermotoga
petrophila) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		4 TYR A 251
GLY A 313
HIS A  31
THR A 332
 None
None
TRS  A 501 ( 4.7A)
None
 0.98A 3tj7A-4kc8A:
undetectable
3tj7B-4kc8A:
undetectable		 3tj7A-4kc8A:
18.05
3tj7B-4kc8A:
18.05
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.
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
 0.74A 3tj7A-4krfA:
undetectable
3tj7B-4krfA:
undetectable		 3tj7A-4krfA:
13.22
3tj7B-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 GLY H  74
VAL H 204
SER H  73
THR H 194
 PLP  H 401 (-3.2A)
PLP  H 401 ( 4.9A)
PLP  H 401 (-3.5A)
PLP  H 401 (-3.3A)
 1.12A 3tj7A-4l0oH:
undetectable
3tj7B-4l0oH:
undetectable		 3tj7A-4l0oH:
19.84
3tj7B-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 TYR A 196
GLY A 162
VAL A 208
THR A 215
 None
 0.87A 3tj7A-4lruA:
undetectable
3tj7B-4lruA:
undetectable		 3tj7A-4lruA:
20.08
3tj7B-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 TYR A 343
VAL A 456
HIS A 453
THR A 374
 None
 0.88A 3tj7A-4odbA:
undetectable
3tj7B-4odbA:
undetectable		 3tj7A-4odbA:
19.81
3tj7B-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.
4opm LIPASE

(Acinetobacter
baumannii) 		PF12697
(Abhydrolase_6) 		4 GLY A 104
HIS A  75
SER A 105
THR A 108
 None
 1.14A 3tj7A-4opmA:
undetectable
3tj7B-4opmA:
undetectable		 3tj7A-4opmA:
22.01
3tj7B-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 GLY A  86
HIS A 149
SER A  36
THR A  34
 None
 0.79A 3tj7A-4q98A:
undetectable
3tj7B-4q98A:
undetectable		 3tj7A-4q98A:
18.50
3tj7B-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 3tj7A-4qa8A:
undetectable
3tj7B-4qa8A:
undetectable		 3tj7A-4qa8A:
22.26
3tj7B-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 GLY A 261
VAL A 202
SER A 204
THR A 259
 None
 0.87A 3tj7A-4qeoA:
undetectable
3tj7B-4qeoA:
undetectable		 3tj7A-4qeoA:
17.72
3tj7B-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 GLY A  66
VAL A  41
SER A  43
THR A  68
 None
 1.13A 3tj7A-4qnlA:
undetectable
3tj7B-4qnlA:
undetectable		 3tj7A-4qnlA:
12.46
3tj7B-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 TYR B 121
VAL B 106
SER B 100
THR B 105
 None
 1.11A 3tj7A-4rhzB:
undetectable
3tj7B-4rhzB:
undetectable		 3tj7A-4rhzB:
19.05
3tj7B-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 GLY A 139
VAL A  10
HIS A   6
SER A   7
 None
 1.00A 3tj7A-4u2nA:
undetectable
3tj7B-4u2nA:
undetectable		 3tj7A-4u2nA:
20.38
3tj7B-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 TYR A 343
VAL A 456
HIS A 453
THR A 374
 None
 0.88A 3tj7A-4xc5A:
undetectable
3tj7B-4xc5A:
undetectable		 3tj7A-4xc5A:
23.25
3tj7B-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
SER A 376
THR A 374
 None
None
MG  A 502 (-3.4A)
None
 1.11A 3tj7A-4xc5A:
undetectable
3tj7B-4xc5A:
undetectable		 3tj7A-4xc5A:
23.25
3tj7B-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 GLY A 383
VAL A 241
SER A 243
THR A 336
 CL  A 502 ( 4.9A)
None
CL  A 502 ( 3.7A)
None
 1.03A 3tj7A-4xg0A:
undetectable
3tj7B-4xg0A:
undetectable		 3tj7A-4xg0A:
16.91
3tj7B-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.
5elp NRPS/PKS PROTEIN

(Bacillus
amyloliquefaciens) 		no annotation 4 GLY C 207
HIS C 178
SER C 125
THR C 209
 None
 1.00A 3tj7A-5elpC:
undetectable
3tj7B-5elpC:
undetectable		 3tj7A-5elpC:
14.81
3tj7B-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 GLY A 102
VAL A 407
HIS A 441
SER A 101
 PO4  A 602 ( 3.8A)
None
None
None
 1.13A 3tj7A-5eueA:
undetectable
3tj7B-5eueA:
undetectable		 3tj7A-5eueA:
16.67
3tj7B-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 GLY A 182
VAL A 201
SER A 205
THR A 184
 None
 0.70A 3tj7A-5fbzA:
undetectable
3tj7B-5fbzA:
undetectable		 3tj7A-5fbzA:
17.97
3tj7B-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 GLY A 205
VAL A 272
SER A 261
THR A 263
 None
GOL  A 402 (-4.3A)
None
None
 0.74A 3tj7A-5hctA:
undetectable
3tj7B-5hctA:
undetectable		 3tj7A-5hctA:
18.36
3tj7B-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 TYR A 332
GLY A 394
HIS A  54
THR A 413
 None
None
TRS  A 903 (-4.4A)
None
 1.00A 3tj7A-5hp6A:
undetectable
3tj7B-5hp6A:
undetectable		 3tj7A-5hp6A:
13.21
3tj7B-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 TYR A 319
GLY A 300
SER A 263
THR A 261
 None
 0.93A 3tj7A-5jwzA:
undetectable
3tj7B-5jwzA:
undetectable		 3tj7A-5jwzA:
12.29
3tj7B-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 TYR A 417
VAL A 460
HIS B 100
SER A 463
 None
 1.05A 3tj7A-5l9wA:
undetectable
3tj7B-5l9wA:
undetectable		 3tj7A-5l9wA:
14.79
3tj7B-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 TYR d 245
VAL d 195
HIS d 193
THR d 213
 None
 1.09A 3tj7A-5oold:
undetectable
3tj7B-5oold:
undetectable		 3tj7A-5oold:
21.02
3tj7B-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
 0.96A 3tj7A-5optX:
undetectable
3tj7B-5optX:
undetectable		 3tj7A-5optX:
16.75
3tj7B-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 GLY A 205
VAL A 272
SER A 261
THR A 263
 None
 0.76A 3tj7A-5p60A:
undetectable
3tj7B-5p60A:
undetectable		 3tj7A-5p60A:
18.15
3tj7B-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
 1.08A 3tj7A-5ubkA:
undetectable
3tj7B-5ubkA:
undetectable		 3tj7A-5ubkA:
13.38
3tj7B-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 GLY A 249
VAL A 252
HIS A  74
SER A 250
THR A 253
 7NC  A 301 (-3.5A)
7NC  A 301 ( 4.3A)
7NC  A 301 ( 4.2A)
7NC  A 301 ( 2.8A)
7NC  A 301 ( 4.4A)
 1.26A 3tj7A-5wqkA:
undetectable
3tj7B-5wqkA:
undetectable		 3tj7A-5wqkA:
17.43
3tj7B-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 GLY A  82
VAL A 213
SER A  81
THR A 203
 PLP  A 401 (-3.3A)
PLP  A 401 ( 4.9A)
PLP  A 401 (-3.7A)
PLP  A 401 (-3.4A)
 1.11A 3tj7A-5x5hA:
undetectable
3tj7B-5x5hA:
undetectable		 3tj7A-5x5hA:
20.94
3tj7B-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 GLY A 758
VAL A1118
SER A1116
THR A 756
 None
 1.00A 3tj7A-6b3oA:
undetectable
3tj7B-6b3oA:
undetectable		 3tj7A-6b3oA:
17.31
3tj7B-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 GLY A  77
VAL A 208
SER A  76
THR A 198
 LLP  A 199 ( 3.2A)
LLP  A 199 ( 4.8A)
LLP  A 199 ( 3.5A)
LLP  A 199 ( 3.3A)
 1.09A 3tj7A-6cjbA:
undetectable
3tj7B-6cjbA:
undetectable		 3tj7A-6cjbA:
undetectable
3tj7B-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 GLY A  69
VAL A 205
HIS A 209
THR A  73
 None
 1.07A 3tj7A-6dd3A:
undetectable
3tj7B-6dd3A:
undetectable		 3tj7A-6dd3A:
undetectable
3tj7B-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 GLY A 192
VAL A 176
HIS B 174
THR A 194
 None
 0.97A 3tj7A-6egxA:
undetectable
3tj7B-6egxA:
undetectable		 3tj7A-6egxA:
undetectable
3tj7B-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.
6gh2 LAMINARIBIOSE
PHOSPHORYLASE

(Paenibacillus
sp. YM1) 		no annotation 4 VAL A 116
HIS A 114
SER A 131
THR A 129
 None
 1.13A 3tj7A-6gh2A:
undetectable
3tj7B-6gh2A:
undetectable		 3tj7A-6gh2A:
undetectable
3tj7B-6gh2A:
undetectable