SIMILAR PATTERNS OF AMINO ACIDS FOR 5HFJ_C_SAMC301_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.
1akw FLAVODOXIN

(Desulfovibrio
vulgaris) 		PF00258
(Flavodoxin_1) 		5 ASP A 136
ALA A 133
THR A  59
GLN A  68
THR A  11
 None
None
FMN  A 149 (-3.9A)
None
FMN  A 149 (-4.2A)
 1.24A 5hfjC-1akwA:
undetectable		 5hfjC-1akwA:
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.
1bgp BARLEY GRAIN
PEROXIDASE

(Hordeum vulgare) 		PF00141
(peroxidase) 		5 ALA A 184
PRO A 151
PHE A 247
THR A 200
GLU A 190
 HEM  A 400 (-4.0A)
HEM  A 400 (-4.1A)
HEM  A 400 (-4.4A)
None
None
 0.86A 5hfjC-1bgpA:
undetectable		 5hfjC-1bgpA:
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.
1bhe POLYGALACTURONASE

(Pectobacterium
carotovorum) 		PF00295
(Glyco_hydro_28) 		5 ALA A 105
PHE A 162
GLY A 184
THR A 213
SER A 159
 None
 1.34A 5hfjC-1bheA:
undetectable		 5hfjC-1bheA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1boo PROTEIN (N-4
CYTOSINE-SPECIFIC
METHYLTRANSFERASE
PVU II)

(Proteus
vulgaris) 		PF01555
(N6_N4_Mtase) 		6 ASP A  34
PRO A  55
PHE A 273
GLY A 275
THR A 278
TYR A 299
 SAH  A 401 (-4.0A)
SAH  A 401 (-3.9A)
SAH  A 401 (-4.6A)
SAH  A 401 (-3.5A)
SAH  A 401 (-4.0A)
SAH  A 401 (-4.2A)
 0.58A 5hfjC-1booA:
20.4		 5hfjC-1booA:
22.36
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.
1c3l SUBTILISIN-CARLSBERG

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		5 THR A  59
GLN A  36
GLY A  61
THR A 211
SER A  99
 None
 1.35A 5hfjC-1c3lA:
undetectable		 5hfjC-1c3lA:
19.73
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.
1eye DIHYDROPTEROATE
SYNTHASE I

(Mycobacterium
tuberculosis) 		PF00809
(Pterin_bind) 		5 ASP A  27
ALA A  31
PRO A  71
GLY A  50
THR A  87
 None
 1.33A 5hfjC-1eyeA:
undetectable		 5hfjC-1eyeA:
21.33
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.
1g60 ADENINE-SPECIFIC
METHYLTRANSFERASE
MBOIIA

(Moraxella bovis) 		PF01555
(N6_N4_Mtase) 		5 LYS A 197
PHE A 220
GLY A 222
THR A 225
TYR A 246
 None
SAM  A 500 (-4.6A)
SAM  A 500 (-3.2A)
SAM  A 500 (-3.4A)
SAM  A 500 (-4.4A)
 0.51A 5hfjC-1g60A:
23.4		 5hfjC-1g60A:
29.63
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.
1g60 ADENINE-SPECIFIC
METHYLTRANSFERASE
MBOIIA

(Moraxella bovis) 		PF01555
(N6_N4_Mtase) 		5 PRO A  32
LYS A 197
PHE A 220
GLY A 222
THR A 225
 None
None
SAM  A 500 (-4.6A)
SAM  A 500 (-3.2A)
SAM  A 500 (-3.4A)
 0.67A 5hfjC-1g60A:
23.4		 5hfjC-1g60A:
29.63
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.
1g60 ADENINE-SPECIFIC
METHYLTRANSFERASE
MBOIIA

(Moraxella bovis) 		PF01555
(N6_N4_Mtase) 		5 THR A 195
LYS A 197
GLY A 222
THR A 225
TYR A 246
 None
None
SAM  A 500 (-3.2A)
SAM  A 500 (-3.4A)
SAM  A 500 (-4.4A)
 1.07A 5hfjC-1g60A:
23.4		 5hfjC-1g60A:
29.63
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.
1gae D-GLYCERALDEHYDE-3-P
HOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA O 294
PHE O 292
GLY O 272
THR O 289
GLU O 264
 None
 1.15A 5hfjC-1gaeO:
undetectable		 5hfjC-1gaeO:
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.
1idm 3-ISOPROPYLMALATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00180
(Iso_dh) 		5 ALA A 316
PRO A 285
PHE A 334
GLY A 330
GLU A 332
 None
 1.15A 5hfjC-1idmA:
undetectable		 5hfjC-1idmA:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l9w 3-DEHYDROQUINATE
DEHYDRATASE AROD

(Salmonella
enterica) 		PF01487
(DHquinase_I) 		5 ASP A 144
THR A  91
GLN A  90
GLY A  88
GLU A  86
 None
 0.94A 5hfjC-1l9wA:
undetectable		 5hfjC-1l9wA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n4o L2 BETA-LACTAMASE

(Stenotrophomonas
maltophilia) 		PF13354
(Beta-lactamase2) 		5 ASP A 242
ALA A 243
GLN A  62
GLY A  45
THR A  47
 None
 0.88A 5hfjC-1n4oA:
undetectable		 5hfjC-1n4oA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nw5 MODIFICATION
METHYLASE RSRI

(Rhodobacter
sphaeroides) 		PF01555
(N6_N4_Mtase) 		7 ASP A  46
PRO A  67
THR A 225
GLN A 226
LYS A 227
PHE A 250
GLY A 252
 SAM  A 401 (-3.6A)
SAM  A 401 (-4.3A)
SAM  A 401 (-3.6A)
None
SAM  A 401 (-4.4A)
SAM  A 401 (-4.7A)
SAM  A 401 (-3.3A)
 0.71A 5hfjC-1nw5A:
21.9		 5hfjC-1nw5A:
24.17
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.
1qub PROTEIN (HUMAN
BETA2-GLYCOPROTEIN
I)

(Homo sapiens) 		PF00084
(Sushi)
PF09014
(Sushi_2) 		5 ALA A  68
PRO A 116
PHE A  89
GLY A  74
GLU A  72
 None
 1.32A 5hfjC-1qubA:
undetectable		 5hfjC-1qubA:
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		5 ASP A 716
ALA A 697
PHE A 699
THR A 676
TYR A 713
 None
 1.07A 5hfjC-1sqjA:
undetectable		 5hfjC-1sqjA:
13.36
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.
1wiw GLUCOSE-6-PHOSPHATE
ISOMERASE LIKE
PROTEIN

(Thermus
thermophilus) 		PF10432
(bact-PGI_C) 		5 ALA A 230
PRO A 194
PHE A 202
GLY A 205
GLU A 200
 None
 1.30A 5hfjC-1wiwA:
undetectable		 5hfjC-1wiwA:
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.
1xr5 GENOME POLYPROTEIN

(Rhinovirus B) 		PF00680
(RdRP_1) 		5 PRO A 153
GLY A 117
THR A 114
SER A 122
TYR A 120
 None
 1.29A 5hfjC-1xr5A:
undetectable		 5hfjC-1xr5A:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		5 ASP A 271
ALA A 269
GLN A 256
GLY A 315
THR A 258
 None
 1.33A 5hfjC-1yw6A:
undetectable		 5hfjC-1yw6A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aco OUTER MEMBRANE
LIPOPROTEIN BLC

(Escherichia
coli) 		PF08212
(Lipocalin_2) 		5 ASP A  35
ALA A  36
LYS A  19
PHE A  95
THR A  23
 None
 1.34A 5hfjC-2acoA:
undetectable		 5hfjC-2acoA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b6o LENS FIBER MAJOR
INTRINSIC PROTEIN

(Ovis aries) 		PF00230
(MIP) 		5 ALA A  97
PRO A  69
THR A 138
GLY A 182
THR A 179
 None
 1.39A 5hfjC-2b6oA:
undetectable		 5hfjC-2b6oA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cg8 DIHYDRONEOPTERIN
ALDOLASE
6-HYDROXYMETHYL-7,8-
DIHYDROPTERIN
SYNTHASE

(Streptococcus
pneumoniae) 		PF01288
(HPPK)
PF02152
(FolB) 		5 ALA A  13
THR A 110
PHE A  28
THR A 114
GLU A  10
 None
 1.32A 5hfjC-2cg8A:
undetectable		 5hfjC-2cg8A:
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.
2d52 PENTAKETIDE CHROMONE
SYNTHASE

(Aloe
arborescens) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ASP A  51
ALA A  50
PRO A  45
THR A 207
GLU A  87
 None
 1.41A 5hfjC-2d52A:
undetectable		 5hfjC-2d52A:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dpm PROTEIN
(ADENINE-SPECIFIC
METHYLTRANSFERASE
DPNII 1)

(Streptococcus
pneumoniae) 		PF02086
(MethyltransfD12) 		5 ASP A 177
PRO A 196
LYS A  21
PHE A  43
GLY A  45
 SAM  A 300 (-4.1A)
SAM  A 300 ( 4.1A)
SAM  A 300 (-4.8A)
SAM  A 300 (-4.2A)
SAM  A 300 (-3.6A)
 1.11A 5hfjC-2dpmA:
3.7		 5hfjC-2dpmA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ehq 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE

(Thermus
thermophilus) 		PF00171
(Aldedh) 		5 ASP A 298
ALA A 301
PRO A 337
LYS A 344
PHE A 303
 None
 1.33A 5hfjC-2ehqA:
undetectable		 5hfjC-2ehqA:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ha9 UPF0210 PROTEIN
SP0239

(Streptococcus
pneumoniae) 		PF05167
(DUF711) 		5 ALA A 188
PRO A  79
PHE A 199
GLY A 112
SER A 146
 None
 1.28A 5hfjC-2ha9A:
undetectable		 5hfjC-2ha9A:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hlp MALATE DEHYDROGENASE

(Haloarcula
marismortui) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASP A 122
PRO A  54
THR A  59
GLN A  62
GLY A  28
 None
 1.21A 5hfjC-2hlpA:
undetectable		 5hfjC-2hlpA:
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.
2iwa GLUTAMINE
CYCLOTRANSFERASE

(Carica papaya) 		PF05096
(Glu_cyclase_2) 		5 ALA A  51
THR A  60
GLN A  46
PHE A  57
GLY A  47
 None
 1.20A 5hfjC-2iwaA:
undetectable		 5hfjC-2iwaA:
20.34
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.
2vxx STARVATION INDUCED
DNA BINDING PROTEIN

(Synechococcus
elongatus) 		PF00210
(Ferritin) 		5 ALA A 127
PRO A 106
GLN A  48
LYS A  49
SER A  39
 None
 1.22A 5hfjC-2vxxA:
undetectable		 5hfjC-2vxxA:
18.78
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.
2waa XYLAN ESTERASE,
PUTATIVE, AXE2C

(Cellvibrio
japonicus) 		PF13472
(Lipase_GDSL_2) 		5 ALA A 163
GLN A 111
GLY A  37
THR A  35
GLU A 106
 None
 1.14A 5hfjC-2waaA:
undetectable		 5hfjC-2waaA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y7i STM4351

(Salmonella
enterica) 		PF00497
(SBP_bac_3) 		5 ASP A 177
ALA A 112
PHE A 175
GLY A 133
GLU A 135
 ARG  A1245 (-3.1A)
None
None
None
ARG  A1245 (-2.9A)
 1.21A 5hfjC-2y7iA:
undetectable		 5hfjC-2y7iA:
19.26
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.
2zie PUTATIVE
MODIFICATION
METHYLASE

(Thermus
thermophilus) 		PF01555
(N6_N4_Mtase) 		7 ASP A  28
ALA A  29
PRO A  49
PHE A 243
GLY A 245
THR A 248
TYR A 269
 None
 0.73A 5hfjC-2zieA:
20.2		 5hfjC-2zieA:
26.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zxo SINGLE-STRANDED DNA
SPECIFIC EXONUCLEASE
RECJ

(Thermus
thermophilus) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 ASP A 212
ALA A 211
THR A 158
PHE A 192
GLY A 187
 None
 1.30A 5hfjC-2zxoA:
2.4		 5hfjC-2zxoA:
14.38
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.
3ddl XANTHORHODOPSIN

(Salinibacter
ruber) 		PF01036
(Bac_rhodopsin) 		5 THR A  84
GLN A  82
PHE A  88
THR A   7
GLU A  71
 None
 1.37A 5hfjC-3ddlA:
undetectable		 5hfjC-3ddlA:
21.88
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.
3fdu PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE

(Acinetobacter
baumannii) 		PF00378
(ECH_1) 		5 ASP A 128
ALA A 127
GLN A 183
GLY A 185
THR A 180
 None
 1.41A 5hfjC-3fduA:
undetectable		 5hfjC-3fduA:
23.73
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.
3g87 MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Burkholderia
pseudomallei) 		PF00698
(Acyl_transf_1) 		5 ALA A  98
GLN A  17
PHE A  11
GLY A  13
THR A  62
 None
 1.32A 5hfjC-3g87A:
undetectable		 5hfjC-3g87A:
20.91
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.
3ldu PUTATIVE METHYLASE

(Clostridioides
difficile) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 ASP A 289
ALA A 290
PRO A 307
GLY A 202
THR A 205
 GTP  A 383 ( 3.8A)
GTP  A 383 (-3.7A)
GTP  A 383 (-3.7A)
GTP  A 383 (-2.6A)
GTP  A 383 (-3.5A)
 0.55A 5hfjC-3lduA:
2.3		 5hfjC-3lduA:
23.08
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.
3ljy PUTATIVE ADHESIN

(Parabacteroides
distasonis) 		PF10988
(DUF2807) 		5 ASP A  23
ALA A  91
PRO A  73
GLY A  27
THR A  97
 None
 1.24A 5hfjC-3ljyA:
undetectable		 5hfjC-3ljyA:
24.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mkq COATOMER
BETA'-SUBUNIT
COATOMER SUBUNIT
ALPHA

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF04053
(Coatomer_WDAD)
PF04053
(Coatomer_WDAD) 		5 ALA A 769
LYS B 719
PHE A 770
GLY B 715
SER A 773
 None
 1.10A 5hfjC-3mkqA:
undetectable		 5hfjC-3mkqA:
15.29
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.
3mn2 PROBABLE ARAC FAMILY
TRANSCRIPTIONAL
REGULATOR

(Rhodopseudomonas
palustris) 		PF12833
(HTH_18) 		5 ALA A 266
GLN A 223
LYS A 218
THR A 245
GLU A 229
 None
 1.38A 5hfjC-3mn2A:
undetectable		 5hfjC-3mn2A:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oga NUCLEOSIDE
TRIPHOSPHATASE NUDI

(Salmonella
enterica) 		PF00293
(NUDIX) 		5 ALA A  34
PRO A   9
GLY A  38
THR A   5
GLU A  57
 None
 1.32A 5hfjC-3ogaA:
undetectable		 5hfjC-3ogaA:
20.43
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.
3oz2 DIGERANYLGERANYLGLYC
EROPHOSPHOLIPID
REDUCTASE

(Thermoplasma
acidophilum) 		PF01494
(FAD_binding_3) 		5 ALA A 137
THR A 310
GLY A 277
THR A 274
TYR A 319
 None
None
None
GOL  A 514 (-3.8A)
None
 1.10A 5hfjC-3oz2A:
undetectable		 5hfjC-3oz2A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rpl D-FRUCTOSE
1,6-BISPHOSPHATASE
CLASS
2/SEDOHEPTULOSE
1,7-BISPHOSPHATASE

(Synechocystis
sp. PCC 6803) 		PF03320
(FBPase_glpX) 		5 ASP A  33
ALA A  36
GLN A 316
GLY A 296
GLU A 100
 MG  A 348 (-3.0A)
None
None
None
FBP  A 350 ( 3.1A)
 1.31A 5hfjC-3rplA:
undetectable		 5hfjC-3rplA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3swx PROBABLE ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacteroides
abscessus) 		PF00378
(ECH_1) 		5 ALA A 256
PHE A 258
GLY A 260
THR A  48
GLU A 241
 None
 1.37A 5hfjC-3swxA:
undetectable		 5hfjC-3swxA:
17.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tm5 CRYSTAL STRUCTURE OF
TRM14

(Pyrococcus
furiosus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 ASP A 276
ALA A 277
PRO A 295
GLY A 227
THR A 230
 SFG  A 401 (-3.4A)
SFG  A 401 (-3.1A)
SFG  A 401 ( 4.4A)
SFG  A 401 ( 3.7A)
SFG  A 401 (-3.3A)
 0.66A 5hfjC-3tm5A:
3.5		 5hfjC-3tm5A:
23.36
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.
3tma METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		6 ASP A 243
ALA A 244
PRO A 262
PHE A 192
GLY A 194
THR A 197
 None
 0.71A 5hfjC-3tmaA:
3.0		 5hfjC-3tmaA:
17.75
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.
3uzb BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Deinococcus
radiodurans) 		PF01063
(Aminotran_4) 		5 ASP A  50
PRO A 111
THR A 159
GLY A 150
GLU A 162
 None
 1.29A 5hfjC-3uzbA:
undetectable		 5hfjC-3uzbA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L

(Escherichia
coli) 		PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM) 		5 ASP A 290
PRO A 311
GLY A 199
THR A 202
SER A 263
 SAM  A 801 (-3.0A)
SAM  A 801 ( 4.1A)
SAM  A 801 (-3.2A)
SAM  A 801 (-4.1A)
SAM  A 801 (-3.5A)
 0.69A 5hfjC-3v8vA:
3.8		 5hfjC-3v8vA:
14.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zif HEXON PROTEIN

(Bovine
mastadenovirus
B) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 PRO A 288
GLY A 217
THR A 213
SER A 123
TYR A 121
 None
 1.13A 5hfjC-3zifA:
undetectable		 5hfjC-3zifA:
13.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4az1 TYROSINE SPECIFIC
PROTEIN PHOSPHATASE

(Trypanosoma
cruzi) 		PF00102
(Y_phosphatase) 		5 ASP A  33
THR A  60
PHE A 268
THR A  41
SER A  36
 None
 1.42A 5hfjC-4az1A:
undetectable		 5hfjC-4az1A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b4d FERREDOXIN-NADP
REDUCTASE

(Xanthomonas
citri) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ASP A 211
ALA A 213
GLY A 248
THR A 246
TYR A 250
 None
 1.13A 5hfjC-4b4dA:
2.8		 5hfjC-4b4dA:
22.66
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 ASP A 540
LYS A 514
PHE A 507
GLY A 520
GLU A 524
 None
 1.34A 5hfjC-4cu8A:
undetectable		 5hfjC-4cu8A:
14.27
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.
4dnx SULFATE
ADENYLYLTRANSFERASE

(Allochromatium
vinosum) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 ASP A 316
ALA A 317
PRO A 274
GLY A 137
THR A 132
 None
 1.20A 5hfjC-4dnxA:
undetectable		 5hfjC-4dnxA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4id9 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Agrobacterium
fabrum) 		PF01370
(Epimerase) 		5 ALA A 104
THR A 289
PHE A 159
GLY A 107
TYR A 110
 NAD  A 403 ( 3.8A)
None
NAD  A 403 (-3.9A)
None
None
 1.15A 5hfjC-4id9A:
undetectable		 5hfjC-4id9A:
20.29
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.
4ii2 UBIQUITIN-CONJUGATIN
G ENZYME E2 4

(Schizosaccharomyces
pombe) 		PF00179
(UQ_con) 		5 ALA C  35
THR C 111
GLY C  39
THR C 142
SER C  21
 None
 1.27A 5hfjC-4ii2C:
undetectable		 5hfjC-4ii2C:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mso SERINE
HYDROXYMETHYLTRANSFE
RASE

(Burkholderia
cenocepacia) 		PF00464
(SHMT) 		5 ASP A 222
ALA A 221
GLN A  85
GLY A  88
GLU A  90
 None
 1.41A 5hfjC-4msoA:
undetectable		 5hfjC-4msoA:
21.41
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.
4n27 BACTERIAL
TRANSFERASE
HEXAPEPTIDE REPEAT

(Brucella
abortus) 		PF00132
(Hexapep) 		5 ASP A  15
ALA A  14
GLN A  61
GLY A  38
SER A  18
 None
None
PE5  A 203 (-3.0A)
None
None
 1.36A 5hfjC-4n27A:
undetectable		 5hfjC-4n27A:
20.43
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.
4nfu EDS1

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		5 ALA A  88
PRO A 159
THR A 155
PHE A  89
THR A 133
 None
 1.22A 5hfjC-4nfuA:
undetectable		 5hfjC-4nfuA:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o9u NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Thermus
thermophilus) 		PF02233
(PNTB) 		5 ALA B 101
THR B 130
PHE B 184
GLY B  94
THR B 214
 None
 1.36A 5hfjC-4o9uB:
2.5		 5hfjC-4o9uB:
19.91
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.
4r0b GLYCODELIN

(Homo sapiens) 		PF00061
(Lipocalin) 		5 ASP A 109
ALA A  89
PRO A  38
THR A  34
GLU A  28
 None
 1.33A 5hfjC-4r0bA:
undetectable		 5hfjC-4r0bA:
19.41
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.
4rr5 MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Synechocystis
sp. PCC 6803) 		PF00698
(Acyl_transf_1) 		5 ALA A  97
GLN A  10
PHE A   7
THR A  59
GLU A  91
 None
ACT  A 301 ( 4.7A)
None
None
None
 1.04A 5hfjC-4rr5A:
undetectable		 5hfjC-4rr5A:
23.08
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.
4tnb G PROTEIN-COUPLED
RECEPTOR KINASE 5

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		5 ASP A  85
ALA A  88
THR A 129
LYS A 132
GLY A 102
 None
 1.40A 5hfjC-4tnbA:
undetectable		 5hfjC-4tnbA:
17.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u7t DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		PF00145
(DNA_methylase) 		5 ASP A 686
PRO A 709
PHE A 640
GLY A 642
THR A 645
 SAH  A1004 (-3.0A)
SAH  A1004 ( 3.9A)
SAH  A1004 (-4.6A)
SAH  A1004 (-3.3A)
SAH  A1004 (-3.3A)
 0.48A 5hfjC-4u7tA:
2.1		 5hfjC-4u7tA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uip REPEBODY (RAC1)

(Listeria
monocytogenes;
Eptatretus
burgeri;
synthetic
construct) 		PF11921
(DUF3439)
PF12354
(Internalin_N)
PF13855
(LRR_8) 		5 ASP B 140
GLY B  73
SER B 118
GLU B 119
TYR B  95
 None
 1.33A 5hfjC-4uipB:
undetectable		 5hfjC-4uipB:
25.19
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.
4wj3 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Pseudomonas
aeruginosa) 		PF01425
(Amidase) 		5 ALA A 218
PRO A 213
GLY A 436
THR A 426
GLU A 460
 None
 1.34A 5hfjC-4wj3A:
undetectable		 5hfjC-4wj3A:
17.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x2r 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)METHYLIDENEAM
INO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Actinomyces
urogenitalis) 		PF00977
(His_biosynth) 		5 ASP A  53
ALA A  11
THR A 164
GLY A  21
THR A 171
 None
 1.34A 5hfjC-4x2rA:
undetectable		 5hfjC-4x2rA:
18.25
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.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		5 ASP A 981
PRO A1020
PHE A 904
GLY A 906
THR A 909
 None
 0.66A 5hfjC-4xqkA:
2.8		 5hfjC-4xqkA:
9.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xzw ENDO-GLUCANASE
CHIMERA C10

(uncultured
bacterium;
Geobacillus sp.
70PC53) 		PF00150
(Cellulase) 		5 ASP A 185
THR A 207
GLN A 246
PHE A 211
GLY A 209
 None
EPE  A 404 (-4.0A)
None
None
None
 1.12A 5hfjC-4xzwA:
undetectable		 5hfjC-4xzwA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zcf RESTRICTION
ENDONUCLEASE
ECOP15I,
MODIFICATION SUBUNIT

(Escherichia
coli) 		PF01555
(N6_N4_Mtase) 		5 ASP A 101
LYS A 418
PHE A 441
GLY A 443
THR A 446
 None
 0.82A 5hfjC-4zcfA:
19.3		 5hfjC-4zcfA:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zcf RESTRICTION
ENDONUCLEASE
ECOP15I,
MODIFICATION SUBUNIT

(Escherichia
coli) 		PF01555
(N6_N4_Mtase) 		5 PRO A 125
LYS A 418
PHE A 441
GLY A 443
THR A 446
 None
 0.66A 5hfjC-4zcfA:
19.3		 5hfjC-4zcfA:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zr5 NEPRILYSIN

(Oryctolagus
cuniculus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 ASP A 632
PRO A 714
THR A 644
PHE A 717
GLY A 627
 None
 1.38A 5hfjC-4zr5A:
undetectable		 5hfjC-4zr5A:
15.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dl7 PORIN

(Acinetobacter
baumannii) 		PF03573
(OprD) 		5 PRO A 117
THR A 185
PHE A 212
GLY A 187
SER A 189
 None
 1.36A 5hfjC-5dl7A:
undetectable		 5hfjC-5dl7A:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dz6 POLYKETIDE
BIOSYNTHESIS MALONYL
COA-ACYL CARRIER
PROTEIN TRANSACYLASE
PKSC

(Bacillus
subtilis) 		PF00698
(Acyl_transf_1) 		5 ALA A  93
GLN A  12
PHE A   6
GLY A   8
THR A  57
 None
None
None
None
CL  A 305 ( 4.0A)
 1.32A 5hfjC-5dz6A:
undetectable		 5hfjC-5dz6A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dz7 POLYKETIDE
BIOSYNTHESIS PROTEIN
PKSE

(Bacillus
subtilis) 		PF00698
(Acyl_transf_1) 		5 ALA A  93
GLN A  12
PHE A   6
GLY A   8
THR A  57
 None
 1.25A 5hfjC-5dz7A:
undetectable		 5hfjC-5dz7A:
20.91
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.
5e72 N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE

(Thermococcus
kodakarensis) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 ASP A 235
ALA A 236
PRO A 256
PHE A 187
GLY A 189
 SAM  A 400 (-3.4A)
SAM  A 400 (-3.5A)
SAM  A 400 (-4.2A)
SAM  A 400 (-4.7A)
SAM  A 400 (-3.3A)
 0.43A 5hfjC-5e72A:
2.6		 5hfjC-5e72A:
22.91
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.
5eb5 HNL ISOENZYME 5

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ASP A 487
ALA A 488
THR A 187
GLY A 501
SER A  37
 FAD  A 601 (-4.6A)
FAD  A 601 (-3.2A)
None
None
FAD  A 601 (-4.4A)
 1.23A 5hfjC-5eb5A:
undetectable		 5hfjC-5eb5A:
17.17
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.
5exe OXALATE
OXIDOREDUCTASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF01855
(POR_N)
PF17147
(PFOR_II) 		5 ASP A  46
ALA A  45
THR A  34
THR A  78
GLU A  39
 None
 1.28A 5hfjC-5exeA:
undetectable		 5hfjC-5exeA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ffj ENDONUCLEASE AND
METHYLASE LLAGI

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII) 		5 ASP A 981
PRO A1020
PHE A 904
GLY A 906
THR A 909
 None
 0.79A 5hfjC-5ffjA:
2.8		 5hfjC-5ffjA:
10.05
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.
5frd CARBOXYLESTERASE
(EST-2)

(Archaeoglobus
fulgidus) 		PF12697
(Abhydrolase_6) 		5 ASP A  50
ALA A  34
GLN A  96
GLY A  91
THR A 114
 None
 1.21A 5hfjC-5frdA:
undetectable		 5hfjC-5frdA:
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hfj ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA)

(Helicobacter
pylori) 		PF01555
(N6_N4_Mtase) 		9 ASP A   8
ALA A   9
PRO A  31
PHE A 195
GLY A 197
THR A 200
SER A 217
GLU A 218
TYR A 221
 SAM  A 301 (-3.4A)
SAM  A 301 (-3.2A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-4.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.6A)
SAM  A 301 (-2.8A)
None
SAM  A 301 (-4.2A)
 0.22A 5hfjC-5hfjA:
35.1		 5hfjC-5hfjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hfj ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA)

(Helicobacter
pylori) 		PF01555
(N6_N4_Mtase) 		5 PRO A  31
GLY A 197
THR A 201
SER A 217
GLU A 218
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
None
SAM  A 301 (-2.8A)
None
 1.39A 5hfjC-5hfjA:
35.1		 5hfjC-5hfjA:
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.
5i51 TRANSKETOLASE

(Scheffersomyces
stipitis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A 417
THR A 381
GLY A 437
THR A 465
TYR A 435
 None
 1.26A 5hfjC-5i51A:
undetectable		 5hfjC-5i51A:
15.17
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.
5ihx TYROSINE--TRNA
LIGASE,
MITOCHONDRIAL

(Aspergillus
nidulans) 		PF00579
(tRNA-synt_1b) 		5 ALA A 310
PRO A 276
THR A 173
PHE A 306
GLY A 302
 None
 1.29A 5hfjC-5ihxA:
undetectable		 5hfjC-5ihxA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ijx TYROSINE--TRNA
LIGASE,
MITOCHONDRIAL

(Coccidioides
posadasii) 		PF00579
(tRNA-synt_1b) 		5 ALA A 297
PRO A 263
THR A 160
PHE A 293
GLY A 289
 None
 1.33A 5hfjC-5ijxA:
2.9		 5hfjC-5ijxA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iy6 TFIIH BASAL
TRANSCRIPTION FACTOR
COMPLEX HELICASE XPB
SUBUNIT

(Homo sapiens) 		PF04851
(ResIII)
PF16203
(ERCC3_RAD25_C) 		5 ALA V 562
GLY V 630
SER V 627
GLU V 669
TYR V 672
 None
 1.33A 5hfjC-5iy6V:
2.4		 5hfjC-5iy6V:
13.88
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.
5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)

(Parageobacillus
thermoglucosidasius) 		PF00171
(Aldedh) 		5 ALA A 415
PRO A 245
LYS A 363
GLY A 390
GLU A 388
 None
 1.19A 5hfjC-5j78A:
2.4		 5hfjC-5j78A:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jqx GLUCOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00535
(Glycos_transf_2) 		5 ASP A 285
ALA A 275
PRO A 227
THR A 239
SER A 279
 None
 1.40A 5hfjC-5jqxA:
undetectable		 5hfjC-5jqxA:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m45 ACETONE CARBOXYLASE
BETA SUBUNIT

(Xanthobacter
autotrophicus) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 ALA B 293
PRO B 494
THR B 694
PHE B 500
GLY B 472
 None
None
None
None
MG  B 803 ( 4.3A)
 1.33A 5hfjC-5m45B:
undetectable		 5hfjC-5m45B:
15.15
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.
5o36 JAPANESE
ENCEPHALITIS VIRUS
NON-STRUCTURAL
PROTEIN 1'
(NS1'),JAPANESE
ENCEPHALITIS VIRUS
NON-STRUCTURAL
PROTEIN 1' (NS1')

(Japanese
encephalitis
virus) 		no annotation 5 ASP A 197
PHE A 217
GLY A 272
SER A 199
GLU A 219
 None
 1.26A 5hfjC-5o36A:
undetectable		 5hfjC-5o36A:
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.
5w0x TIP41-LIKE PROTEIN

(Mus musculus) 		no annotation 5 ALA A  72
PRO A  46
PHE A 156
GLY A  51
THR A  25
 None
 1.30A 5hfjC-5w0xA:
undetectable		 5hfjC-5w0xA:
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.
5w11 GLUCANASE

(Thermothelomyces
thermophila) 		no annotation 5 ASP A 251
ALA A 254
PRO A 259
SER A 249
TYR A 248
 None
None
None
None
CTR  A 505 ( 4.4A)
 1.26A 5hfjC-5w11A:
undetectable		 5hfjC-5w11A:
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF00374
(NiFeSe_Hases) 		5 ALA D 458
THR D 243
PHE D 459
GLY D 311
THR D 398
 None
 1.30A 5hfjC-5xfaD:
undetectable		 5hfjC-5xfaD:
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.
5xra CANNABINOID RECEPTOR
1,FLAVODOXIN,CANNABI
NOID RECEPTOR 1

(Desulfovibrio
vulgaris;
Homo sapiens) 		PF00001
(7tm_1)
PF00258
(Flavodoxin_1) 		5 ASP A1136
ALA A1133
THR A1059
GLN A1068
THR A1011
 None
None
FMN  A 601 ( 3.8A)
None
FMN  A 601 ( 4.4A)
 1.22A 5hfjC-5xraA:
undetectable		 5hfjC-5xraA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y6q ALDEHYDE OXIDASE
MEDIUM SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 5 ASP B  62
GLY B  69
THR B 107
SER B  67
GLU B 218
 None
None
FAD  B 401 (-3.0A)
None
None
 1.30A 5hfjC-5y6qB:
undetectable		 5hfjC-5y6qB:
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.
5yh0 DRFAM20C1

(Danio rerio) 		no annotation 6 ALA A 290
THR A 271
GLN A 269
PHE A 459
THR A 266
GLU A 282
 None
 1.32A 5hfjC-5yh0A:
undetectable		 5hfjC-5yh0A:
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.
5yh3 EXTRACELLULAR
SERINE/THREONINE
PROTEIN KINASE
FAM20C

(Homo sapiens) 		no annotation 5 ALA C 314
THR C 295
GLN C 293
PHE C 483
THR C 290
 None
 1.34A 5hfjC-5yh3C:
undetectable		 5hfjC-5yh3C:
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.
5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR

(Homo sapiens) 		no annotation 5 ALA A2043
GLY A2079
THR A2276
SER A2075
TYR A2078
 None
 1.40A 5hfjC-5yz0A:
undetectable		 5hfjC-5yz0A:
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.
6b9g ATLASTIN-1

(Homo sapiens) 		no annotation 5 ASP B 218
THR B 150
GLY B  74
THR B 147
SER B 179
 GDP  B 401 (-2.7A)
None
None
None
None
 1.29A 5hfjC-6b9gB:
undetectable		 5hfjC-6b9gB:
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.
6brr DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		no annotation 5 ASP A 686
PRO A 709
PHE A 640
GLY A 642
THR A 645
 SAH  A1001 (-3.0A)
SAH  A1001 (-3.7A)
SAH  A1001 (-4.4A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.5A)
 0.48A 5hfjC-6brrA:
2.4		 5hfjC-6brrA:
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.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens) 		no annotation 5 ALA B 182
THR B 130
GLN B  68
PHE B  46
THR B  43
 None
ABU  A 405 (-3.1A)
None
None
None
 1.25A 5hfjC-6d6uB:
undetectable		 5hfjC-6d6uB:
21.23