SIMILAR PATTERNS OF AMINO ACIDS FOR 4UCI_A_SAMA2409

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.
1d6s O-ACETYLSERINE
SULFHYDRYLASE

(Salmonella
enterica) 		PF00291
(PALP) 		5 GLY A 174
GLY A 179
ASN A 237
SER A 173
ALA A 275
 None
PLP  A 501 (-3.9A)
None
None
None
 1.02A 4uciA-1d6sA:
undetectable		 4uciA-1d6sA:
22.17
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.
1g68 BETA-LACTAMASE PSE-4

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 THR A  69
GLY A 242
GLY A 240
GLY A 172
ALA A 270
 None
 0.82A 4uciA-1g68A:
undetectable		 4uciA-1g68A:
21.58
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.
1h74 HOMOSERINE KINASE

(Methanocaldococcus
jannaschii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 THR A 183
GLY A  96
GLY A  94
GLY A  92
ALA A 145
 ADP  A 400 ( 3.1A)
ADP  A 400 ( 4.0A)
ADP  A 400 ( 4.5A)
ADP  A 400 (-3.7A)
None
 1.00A 4uciA-1h74A:
undetectable		 4uciA-1h74A:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kbl PYRUVATE PHOSPHATE
DIKINASE

([Clostridium]
symbiosum) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 GLY A 254
GLY A 252
GLY A 245
ASN A 246
ALA A 256
 None
 1.00A 4uciA-1kblA:
undetectable		 4uciA-1kblA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kcz BETA-METHYLASPARTASE

(Clostridium
tetanomorphum) 		PF05034
(MAAL_N)
PF07476
(MAAL_C) 		5 GLY A 394
GLY A 388
GLY A  14
ASN A 362
ALA A 385
 None
OCS  A 361 ( 3.5A)
OCS  A 361 ( 3.4A)
None
None
 1.01A 4uciA-1kczA:
undetectable		 4uciA-1kczA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 GLY A  72
GLY A  74
GLY A  76
LEU A  95
ALA A 138
 SAH  A1900 (-3.1A)
SAH  A1900 (-3.2A)
None
SAH  A1900 (-4.4A)
SAH  A1900 (-3.2A)
 0.96A 4uciA-1kphA:
6.6		 4uciA-1kphA:
21.36
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.
1kwg BETA-GALACTOSIDASE

(Thermus
thermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 GLY A 482
TRP A 570
SER A 485
LEU A 461
ALA A 408
 None
 0.99A 4uciA-1kwgA:
undetectable		 4uciA-1kwgA:
18.79
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.
1l1e MYCOLIC ACID
SYNTHASE

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 GLY A  72
GLY A  74
GLY A  76
LEU A  95
ALA A 138
 SAH  A 900 (-3.1A)
SAH  A 900 (-3.4A)
None
SAH  A 900 (-4.1A)
SAH  A 900 (-3.4A)
 0.89A 4uciA-1l1eA:
6.8		 4uciA-1l1eA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l3i PRECORRIN-6Y
METHYLTRANSFERASE/PU
TATIVE DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF13847
(Methyltransf_31) 		5 THR A  17
GLY A  41
GLY A  43
GLY A  45
ALA A  91
 SAH  A 801 (-3.7A)
SAH  A 801 (-3.4A)
SAH  A 801 (-3.2A)
SAH  A 801 (-4.0A)
SAH  A 801 (-3.2A)
 0.58A 4uciA-1l3iA:
8.4		 4uciA-1l3iA:
17.52
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.
1lml LEISHMANOLYSIN

(Leishmania
major) 		PF01457
(Peptidase_M8) 		5 GLY A 352
GLY A 567
ASN A 568
ALA A 346
ALA A 350
 None
 0.96A 4uciA-1lmlA:
undetectable		 4uciA-1lmlA:
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.
1lnz SPO0B-ASSOCIATED
GTP-BINDING PROTEIN

(Bacillus
subtilis) 		PF01018
(GTP1_OBG)
PF01926
(MMR_HSR1) 		5 GLY A  41
GLY A  16
GLY A 123
ALA A  66
ALA A  82
 None
 0.95A 4uciA-1lnzA:
undetectable		 4uciA-1lnzA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA

(Paracoccus
denitrificans) 		PF00115
(COX1) 		6 GLY A 153
GLU A 174
GLY A 159
GLY A 161
ASN A  88
SER A 178
 None
 1.33A 4uciA-1qleA:
undetectable		 4uciA-1qleA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rjw ALCOHOL
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 THR A 306
GLY A 177
GLY A 175
GLY A 330
ALA A 180
 None
 0.99A 4uciA-1rjwA:
3.7		 4uciA-1rjwA:
21.62
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.
1rkx CDP-GLUCOSE-4,6-DEHY
DRATASE

(Yersinia
pseudotuberculosis) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A  16
GLY A  19
GLY A  23
LEU A  41
ALA A  88
 NAD  A 360 (-3.4A)
NAD  A 360 (-3.3A)
None
NAD  A 360 (-4.1A)
NAD  A 360 (-3.6A)
 0.81A 4uciA-1rkxA:
4.2		 4uciA-1rkxA:
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.
1sgv TRNA PSEUDOURIDINE
SYNTHASE B

(Mycobacterium
tuberculosis) 		PF01509
(TruB_N)
PF09142
(TruB_C)
PF16198
(TruB_C_2) 		5 THR A  32
GLY A   7
GLY A   5
ALA A 231
ALA A  56
 None
 0.76A 4uciA-1sgvA:
undetectable		 4uciA-1sgvA:
23.38
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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		5 THR A  63
GLY A  87
GLY A  91
ALA A 140
ALA A 164
 SAH  A 301 ( 2.8A)
SAH  A 301 (-3.4A)
None
SAH  A 301 (-3.9A)
SAH  A 301 ( 3.7A)
 0.82A 4uciA-1susA:
7.9		 4uciA-1susA:
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.
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 GLY A  72
GLY A  74
GLY A  76
LEU A  95
ALA A 138
 SAH  A1900 (-3.2A)
SAH  A1900 (-3.3A)
None
SAH  A1900 (-4.3A)
SAH  A1900 (-3.1A)
 0.93A 4uciA-1tpyA:
6.3		 4uciA-1tpyA:
22.46
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.
1ulq PUTATIVE ACETYL-COA
ACETYLTRANSFERASE

(Thermus
thermophilus) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 115
GLY A 359
ASN A  57
ALA A 261
ALA A 259
 None
 0.99A 4uciA-1ulqA:
undetectable		 4uciA-1ulqA:
22.96
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.
2fca TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Bacillus
subtilis) 		PF02390
(Methyltransf_4) 		5 GLY A  46
GLY A  48
GLY A  50
LEU A  70
ALA A  97
 K  A 250 (-3.9A)
None
None
None
None
 0.96A 4uciA-2fcaA:
6.7		 4uciA-2fcaA:
23.91
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.
2fk7 METHOXY MYCOLIC ACID
SYNTHASE 4

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 GLY A  81
GLY A  83
GLY A  85
LEU A 104
ALA A 147
 None
 1.00A 4uciA-2fk7A:
6.2		 4uciA-2fk7A:
25.11
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.
2gd2 PROBABLE
ALPHA-METHYLACYL-COA
RACEMASE MCR

(Mycobacterium
tuberculosis) 		PF02515
(CoA_transf_3) 		5 GLY A 219
GLY A 213
GLY A 143
LEU A 217
ALA A 221
 None
 0.93A 4uciA-2gd2A:
2.0		 4uciA-2gd2A:
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.
2hyp HYPOTHETICAL PROTEIN
RV0805

(Mycobacterium
tuberculosis) 		PF00149
(Metallophos) 		5 THR A 134
GLY A 206
GLY A  62
GLY A  96
SER A  20
 None
 0.98A 4uciA-2hypA:
undetectable		 4uciA-2hypA:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i0k OXIDOREDUCTASE

(Brevibacterium
sterolicum) 		PF01565
(FAD_binding_4)
PF09129
(Chol_subst-bind) 		5 THR A 500
GLY A 203
GLY A 480
LEU A 185
ALA A 187
 None
None
None
None
FAD  A 700 (-3.5A)
 0.91A 4uciA-2i0kA:
undetectable		 4uciA-2i0kA:
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.
2r66 GLYCOSYL
TRANSFERASE, GROUP 1

(Halothermothrix
orenii) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		6 THR A 388
GLY A 372
GLY A 392
GLY A 391
ASN A 390
ALA A 374
 None
 1.31A 4uciA-2r66A:
2.2		 4uciA-2r66A:
22.31
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.
2vdv TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF02390
(Methyltransf_4) 		5 THR E 259
GLY E 103
GLY E 105
GLY E 107
ALA E 162
 SAM  E1287 (-2.8A)
SAM  E1287 (-3.1A)
SAM  E1287 (-3.6A)
None
SAM  E1287 (-3.9A)
 0.78A 4uciA-2vdvE:
4.8		 4uciA-2vdvE:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wa2 NON-STRUCTURAL
PROTEIN 5

(Modoc virus) 		PF01728
(FtsJ) 		5 GLY A  82
GLY A  84
GLY A  86
LEU A 106
LYS A 184
 SAM  A1248 (-3.3A)
SAM  A1248 (-3.4A)
SAM  A1248 (-4.4A)
SAM  A1248 (-4.1A)
None
 0.78A 4uciA-2wa2A:
9.7		 4uciA-2wa2A:
21.08
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.
2yys PROLINE
IMINOPEPTIDASE-RELAT
ED PROTEIN

(Thermus
thermophilus) 		PF12697
(Abhydrolase_6) 		6 GLY A  62
GLY A  64
GLY A  37
SER A  66
LEU A  67
ALA A  13
 None
 1.44A 4uciA-2yysA:
undetectable		 4uciA-2yysA:
20.23
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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 GLY A 945
GLY A 943
GLY A1024
LEU A 938
LYS A 775
 None
 0.90A 4uciA-3bgaA:
undetectable		 4uciA-3bgaA:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 GLY A 485
GLU A 486
GLY A 466
ASN A 467
ALA A 484
 None
 0.92A 4uciA-3bmwA:
undetectable		 4uciA-3bmwA:
21.90
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.
3bus METHYLTRANSFERASE

(Lechevalieria
aerocolonigenes) 		PF08241
(Methyltransf_11) 		5 GLY A  69
GLY A  71
GLY A  73
SER A  91
ALA A 120
 SAH  A 274 (-3.1A)
SAH  A 274 (-3.4A)
None
SAH  A 274 (-3.0A)
SAH  A 274 (-3.5A)
 0.85A 4uciA-3busA:
7.3		 4uciA-3busA:
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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		5 THR A  54
GLY A  78
GLY A  82
ALA A 131
ALA A 155
 SAH  A 464 (-3.5A)
SAH  A 464 (-3.7A)
SAH  A 464 ( 4.6A)
SAH  A 464 (-3.5A)
SAH  A 464 (-3.7A)
 0.83A 4uciA-3c3yA:
8.2		 4uciA-3c3yA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ckk TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Homo sapiens) 		PF02390
(Methyltransf_4) 		5 THR A 208
GLY A  54
GLY A  56
GLY A  58
ALA A 111
 SAM  A 301 (-2.8A)
GOL  A 302 ( 3.3A)
SAM  A 301 (-3.5A)
None
SAM  A 301 (-3.7A)
 0.95A 4uciA-3ckkA:
5.4		 4uciA-3ckkA:
18.29
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.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		5 GLY A  46
GLY A  50
LEU A  68
ALA A 112
LYS A 151
 SAM  A   1 (-3.5A)
SAM  A   1 (-3.8A)
SAM  A   1 (-4.2A)
SAM  A   1 (-3.7A)
SAM  A   1 (-3.5A)
 0.58A 4uciA-3douA:
8.8		 4uciA-3douA:
20.52
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.
3elu METHYLTRANSFERASE

(Wesselsbron
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 GLY A  81
GLY A  83
GLY A  85
LEU A 105
LYS A 182
 SAM  A4633 (-3.2A)
SAM  A4633 (-3.4A)
SAM  A4633 ( 4.3A)
SAM  A4633 (-4.1A)
None
 0.83A 4uciA-3eluA:
9.5		 4uciA-3eluA:
22.14
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.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  83
GLY A  85
LEU A 105
LYS A 182
 SAH  A 901 (-3.4A)
SAH  A 901 (-3.3A)
SAH  A 901 ( 4.4A)
SAH  A 901 (-4.0A)
None
 0.87A 4uciA-3evcA:
9.0		 4uciA-3evcA:
21.94
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.
3f6r FLAVODOXIN

(Desulfovibrio
desulfuricans) 		PF00258
(Flavodoxin_1) 		5 GLY A  94
GLU A 127
GLY A 128
SER A  93
ALA A  59
 FMN  A 149 (-2.9A)
None
None
FMN  A 149 (-3.8A)
FMN  A 149 (-3.7A)
 0.81A 4uciA-3f6rA:
undetectable		 4uciA-3f6rA:
18.43
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.
3g1w SUGAR ABC
TRANSPORTER

(Bacillus
halodurans) 		PF13407
(Peripla_BP_4) 		5 GLY A 241
GLY A 239
GLY A 236
ASN A 235
ALA A 250
 None
 1.01A 4uciA-3g1wA:
undetectable		 4uciA-3g1wA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  83
GLY A  85
LEU A 105
LYS A 183
 SAM  A4633 (-3.4A)
SAM  A4633 (-3.4A)
SAM  A4633 ( 4.3A)
SAM  A4633 (-4.0A)
SAM  A4633 ( 4.8A)
 0.92A 4uciA-3gczA:
10.1		 4uciA-3gczA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gms PUTATIVE
NADPH:QUINONE
REDUCTASE

(Bacillus
thuringiensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 245
GLY A 221
ASN A 249
SER A 244
LEU A 243
 None
 0.95A 4uciA-3gmsA:
3.9		 4uciA-3gmsA:
23.22
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.
3hd6 AMMONIUM TRANSPORTER
RH TYPE C

(Homo sapiens) 		PF00909
(Ammonium_transp) 		6 THR A 401
GLY A 345
GLY A 348
GLY A 352
LEU A 343
ALA A 189
 None
 1.41A 4uciA-3hd6A:
undetectable		 4uciA-3hd6A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ib7 ICC PROTEIN

(Mycobacterium
tuberculosis) 		PF00149
(Metallophos) 		5 THR A 134
GLY A 206
GLY A  62
GLY A  96
SER A  20
 None
 1.00A 4uciA-3ib7A:
undetectable		 4uciA-3ib7A:
21.61
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.
3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Leishmania
mexicana) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 GLY B 199
GLY B 220
SER B 198
ALA B 235
ALA B 161
 None
 0.80A 4uciA-3igzB:
3.9		 4uciA-3igzB:
22.78
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.
3ihs PHOSPHOCARRIER
PROTEIN HPR

(Bacillus
anthracis) 		PF00381
(PTS-HPr) 		5 GLY A  58
GLY A  56
GLY A  13
ASN A  12
SER A  59
 None
 0.88A 4uciA-3ihsA:
undetectable		 4uciA-3ihsA:
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.
3iwa FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Desulfovibrio
vulgaris) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		6 GLY A  14
GLY A 318
GLY A 322
ASN A 324
ALA A  10
ALA A 119
 None
 1.22A 4uciA-3iwaA:
undetectable		 4uciA-3iwaA:
23.15
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.
3j09 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00403
(HMA)
PF00702
(Hydrolase) 		5 GLY A 619
GLY A 617
GLY A 427
ALA A 215
ALA A 623
 None
 0.92A 4uciA-3j09A:
undetectable		 4uciA-3j09A:
20.05
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.
3kaq FLAVODOXIN

(Desulfovibrio
desulfuricans) 		PF00258
(Flavodoxin_1) 		5 GLY A  94
GLU A 127
GLY A 128
SER A  93
ALA A  59
 FMN  A 150 (-3.3A)
None
None
FMN  A 150 (-3.8A)
FMN  A 150 (-3.6A)
 0.82A 4uciA-3kaqA:
undetectable		 4uciA-3kaqA:
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.
3mdu N-FORMIMINO-L-GLUTAM
ATE IMINOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 GLY A 367
GLY A 316
GLY A 289
LEU A 365
ALA A 369
 None
 0.95A 4uciA-3mduA:
undetectable		 4uciA-3mduA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mkh NITROALKANE OXIDASE

(Podospora
anserina) 		PF00441
(Acyl-CoA_dh_1)
PF02771
(Acyl-CoA_dh_N) 		5 GLY A 278
GLY A 281
GLY A 283
ALA A 274
ALA A 355
 None
 1.01A 4uciA-3mkhA:
undetectable		 4uciA-3mkhA:
22.87
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.
3mq2 16S RRNA
METHYLTRANSFERASE

(Streptoalloteichus
tenebrarius) 		PF02390
(Methyltransf_4) 		5 THR A 191
GLY A  32
GLY A  34
GLY A  36
ALA A  87
 SAH  A 216 (-2.7A)
SAH  A 216 (-3.5A)
SAH  A 216 (-3.4A)
None
SAH  A 216 (-3.5A)
 0.61A 4uciA-3mq2A:
6.2		 4uciA-3mq2A:
19.14
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.
3njr PRECORRIN-6Y
METHYLASE

(Rhodobacter
capsulatus) 		no annotation 5 THR A  18
GLY A  42
GLY A  44
GLY A  46
ALA A  92
 SAH  A 300 (-3.8A)
SAH  A 300 (-3.1A)
SAH  A 300 (-3.4A)
SAH  A 300 (-4.6A)
SAH  A 300 (-4.2A)
 0.97A 4uciA-3njrA:
7.8		 4uciA-3njrA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nvl 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Trypanosoma
brucei) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 GLY A 198
GLY A 219
SER A 197
ALA A 234
ALA A 160
 None
 0.92A 4uciA-3nvlA:
3.7		 4uciA-3nvlA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qsl PUTATIVE EXPORTED
PROTEIN

(Bordetella
bronchiseptica) 		PF13379
(NMT1_2) 		6 THR A 194
GLY A  91
GLY A  40
GLY A  41
LEU A  78
ALA A  92
 CIT  A 347 ( 4.3A)
CIT  A 347 (-3.4A)
CIT  A 347 (-3.8A)
None
None
CIT  A 347 (-3.6A)
 1.25A 4uciA-3qslA:
undetectable		 4uciA-3qslA:
22.54
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.
3r8r TRANSALDOLASE

(Bacillus
subtilis) 		PF00923
(TAL_FSA) 		5 THR A  26
GLY A 183
GLY A  24
ALA A 175
ALA A 163
 GOL  A 221 ( 4.8A)
None
None
None
None
 1.02A 4uciA-3r8rA:
undetectable		 4uciA-3r8rA:
21.15
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N

(Escherichia
coli) 		no annotation 5 GLY N 385
GLY N 391
GLY N 394
LEU N 381
ALA N 384
 None
 0.93A 4uciA-3rkoN:
undetectable		 4uciA-3rkoN:
23.15
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.
3tr6 O-METHYLTRANSFERASE

(Coxiella
burnetii) 		PF01596
(Methyltransf_3) 		5 THR A  45
GLY A  69
GLY A  73
ALA A 122
ALA A 145
 SAH  A 224 (-3.6A)
SAH  A 224 (-3.9A)
None
SAH  A 224 (-3.8A)
SAH  A 224 (-3.5A)
 0.94A 4uciA-3tr6A:
7.8		 4uciA-3tr6A:
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.
3uav PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus cereus) 		PF01048
(PNP_UDP_1) 		5 GLY A  65
GLU A 181
GLY A  63
GLY A  20
SER A  68
 None
SO4  A 236 ( 4.4A)
None
SO4  A 236 (-3.3A)
None
 1.00A 4uciA-3uavA:
undetectable		 4uciA-3uavA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ugk SACCHAROPINE
DEHYDROGENASE [NAD+,
L-LYSINE-FORMING]

(Saccharomyces
cerevisiae) 		PF05222
(AlaDh_PNT_N) 		5 GLY A 140
GLY A 206
GLY A 203
LEU A 212
ALA A 142
 None
 0.96A 4uciA-3ugkA:
undetectable		 4uciA-3ugkA:
23.04
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.
3ure ALPHA-LYTIC PROTEASE

(Lysobacter
enzymogenes) 		PF00089
(Trypsin) 		5 GLY A 197
GLY A 140
ASN A 120
SER A  43
ALA A  55
 None
 1.02A 4uciA-3ureA:
undetectable		 4uciA-3ureA:
17.78
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.
3vr0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF09754
(PAC2) 		5 GLY A  43
GLY A 139
GLY A 209
LEU A  36
ALA A  47
 None
AU  A 304 ( 3.7A)
None
None
None
 0.95A 4uciA-3vr0A:
undetectable		 4uciA-3vr0A:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a7k ALDOS-2-ULOSE
DEHYDRATASE

(Phanerochaete
chrysosporium) 		no annotation 5 GLY A 271
GLY A 241
GLY A 258
LEU A 213
ALA A 293
 None
 0.94A 4uciA-4a7kA:
undetectable		 4uciA-4a7kA:
18.67
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.
4btg MAJOR INNER PROTEIN
P1

(Pseudomonas
virus phi6) 		no annotation 5 GLY A 687
GLY A 682
GLY A 728
TRP A 726
ALA A 688
 None
 0.91A 4uciA-4btgA:
undetectable		 4uciA-4btgA:
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.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		6 THR A 427
GLY A 128
GLY A 420
TRP A 375
ALA A 173
ALA A 130
 None
 1.36A 4uciA-4c7vA:
2.8		 4uciA-4c7vA:
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.
4cp8 ALLOPHANATE
HYDROLASE

(Pseudomonas sp.
ADP) 		PF01425
(Amidase) 		5 THR A 390
GLY A 190
GLY A 188
SER A 225
ALA A 238
 None
None
MLI  A1466 (-4.0A)
None
None
 0.86A 4uciA-4cp8A:
undetectable		 4uciA-4cp8A:
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.
4fnq ALPHA-GALACTOSIDASE
AGAB

(Geobacillus
stearothermophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		5 GLY A 531
GLU A 202
GLY A 529
ASN A 549
ALA A 223
 None
 0.97A 4uciA-4fnqA:
undetectable		 4uciA-4fnqA:
18.59
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.
4gbf PHIKZ131

(Pseudomonas
virus phiKZ) 		no annotation 6 THR A 562
GLY A 727
GLY A 687
GLY A 619
ASN A 561
ALA A 413
 None
 1.50A 4uciA-4gbfA:
undetectable		 4uciA-4gbfA:
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.
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM)
PF07496
(zf-CW) 		5 GLY A 812
GLY A 794
SER A 811
LEU A 810
ALA A 396
 None
FAD  A 901 (-3.2A)
None
None
None
 0.86A 4uciA-4hsuA:
undetectable		 4uciA-4hsuA:
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.
4htf S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 GLY B  52
GLY B  54
GLY B  56
LEU B  74
ALA B 102
 SAM  B 301 (-3.5A)
SAM  B 301 (-3.4A)
None
SAM  B 301 (-4.2A)
SAM  B 301 (-3.7A)
 0.57A 4uciA-4htfB:
8.6		 4uciA-4htfB:
25.12
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.
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 GLY A 460
GLY A 256
GLY A 257
ASN A 258
LEU A 253
 None
 0.98A 4uciA-4i3uA:
undetectable		 4uciA-4i3uA:
21.29
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.
4i59 CYCLOHEXYLAMINE
OXIDASE

(Microbacterium
oxydans) 		PF01593
(Amino_oxidase) 		5 GLY A 421
GLY A 201
GLY A 371
ASN A 373
ALA A 418
 None
 0.84A 4uciA-4i59A:
undetectable		 4uciA-4i59A:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iit PHENYLACETATE-COA
OXYGENASE SUBUNIT
PAAC

(Klebsiella
pneumoniae) 		PF05138
(PaaA_PaaC) 		5 GLY C 210
GLY C 148
GLY C 150
SER C 209
LEU C 206
 None
 0.87A 4uciA-4iitC:
undetectable		 4uciA-4iitC:
22.20
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		5 GLY A 232
GLY A 234
GLY A 236
LEU A 255
ALA A 282
 SAH  A 501 (-3.6A)
SAH  A 501 (-3.6A)
None
SAH  A 501 (-4.3A)
SAH  A 501 (-3.6A)
 0.81A 4uciA-4ineA:
6.8		 4uciA-4ineA:
23.46
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		6 GLY A 228
GLY A 230
GLY A 232
ASN A 198
LEU A 251
ALA A 278
 SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
None
None
SAH  A 701 (-4.4A)
SAH  A 701 (-3.7A)
 1.45A 4uciA-4kriA:
7.1		 4uciA-4kriA:
23.33
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.
4ks9 MALONYL-COA
DECARBOXYLASE

(Cupriavidus
metallidurans) 		PF05292
(MCD)
PF17408
(MCD_N) 		5 GLY A 400
GLY A 403
GLY A 461
ASN A 462
ALA A 406
 None
 0.97A 4uciA-4ks9A:
undetectable		 4uciA-4ks9A:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nd4 LACTATE
DEHYDROGENASE,
ADJACENT GENE
ENCODES PREDICTED
MALATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  28
GLY A  30
GLY A  34
ASN A  35
ALA A  98
 NAD  A 401 ( 3.9A)
NAD  A 401 (-3.3A)
None
None
NAD  A 401 (-3.5A)
 1.01A 4uciA-4nd4A:
undetectable		 4uciA-4nd4A:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nec PUTATIVE
SAM-DEPENDENT
METHYLTRANSFERASE

(Streptomyces
lasaliensis) 		PF13649
(Methyltransf_25) 		5 GLY A  47
GLY A  49
GLY A  51
LEU A  69
ALA A  95
 SAH  A 401 (-3.9A)
SAH  A 401 (-3.6A)
None
SAH  A 401 (-3.7A)
SAH  A 401 (-3.2A)
 0.60A 4uciA-4necA:
7.1		 4uciA-4necA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		5 GLY A 279
ASN A 432
LEU A 317
ALA A 315
ALA A 515
 None
 1.00A 4uciA-4pfwA:
undetectable		 4uciA-4pfwA:
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.
4r2w URIDINE
PHOSPHORYLASE

(Shewanella
oneidensis) 		PF01048
(PNP_UDP_1) 		6 GLY A  67
GLU A 195
GLY A  65
GLY A  23
SER A  70
ALA A 116
 None
GOL  A 303 (-2.9A)
None
SO4  A 302 (-3.2A)
None
None
 1.30A 4uciA-4r2wA:
undetectable		 4uciA-4r2wA:
20.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ucl RNA-DIRECTED RNA
POLYMERASE L

(Human
metapneumovirus) 		no annotation 10 GLY A1696
GLU A1697
GLY A1698
GLY A1700
ASN A1701
TRP A1702
LEU A1720
ALA A1756
ALA A1780
LYS A1817
 None
 0.94A 4uciA-4uclA:
58.4		 4uciA-4uclA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ucl RNA-DIRECTED RNA
POLYMERASE L

(Human
metapneumovirus) 		no annotation 9 GLY A1696
GLU A1697
GLY A1698
GLY A1700
ASN A1701
TRP A1702
SER A1719
LEU A1720
ALA A1756
 None
 1.16A 4uciA-4uclA:
58.4		 4uciA-4uclA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ucl RNA-DIRECTED RNA
POLYMERASE L

(Human
metapneumovirus) 		no annotation 10 THR A1670
GLY A1696
GLY A1698
GLY A1700
ASN A1701
TRP A1702
LEU A1720
ALA A1756
ALA A1780
LYS A1817
 None
 0.58A 4uciA-4uclA:
58.4		 4uciA-4uclA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ucl RNA-DIRECTED RNA
POLYMERASE L

(Human
metapneumovirus) 		no annotation 9 THR A1670
GLY A1696
GLY A1698
GLY A1700
ASN A1701
TRP A1702
SER A1719
LEU A1720
ALA A1756
 None
 0.83A 4uciA-4uclA:
58.4		 4uciA-4uclA:
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.
4um8 INTEGRIN ALPHA-V

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 GLY A 175
GLY A 173
GLY A 223
SER A 176
ALA A 149
 None
 0.92A 4uciA-4um8A:
undetectable		 4uciA-4um8A:
21.62
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.
4wgx MOLINATE HYDROLASE

(Gulosibacter
molinativorax) 		PF01979
(Amidohydro_1) 		5 THR A 341
GLY A 391
GLY A  65
ASN A  66
LEU A 389
 None
None
None
MPD  A 502 ( 4.7A)
None
 0.98A 4uciA-4wgxA:
undetectable		 4uciA-4wgxA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wk4 INTEGRIN ALPHA-5

(Homo sapiens) 		PF01839
(FG-GAP) 		5 GLY A 184
GLY A 182
GLY A 232
SER A 185
ALA A 158
 None
 0.94A 4uciA-4wk4A:
undetectable		 4uciA-4wk4A:
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.
5epe SAM-DEPENDENT
METHYLTRANSFERASE

(Thiobacillus
denitrificans) 		PF13847
(Methyltransf_31) 		5 GLY A  44
GLY A  46
GLY A  48
LEU A  67
ALA A  95
 SAH  A 301 (-3.6A)
SAH  A 301 (-3.4A)
None
SAH  A 301 (-3.8A)
SAH  A 301 (-3.6A)
 0.94A 4uciA-5epeA:
5.7		 4uciA-5epeA:
20.99
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.
5epe SAM-DEPENDENT
METHYLTRANSFERASE

(Thiobacillus
denitrificans) 		PF13847
(Methyltransf_31) 		5 GLY A  44
GLY A  46
LEU A  67
ALA A  95
ALA A 112
 SAH  A 301 (-3.6A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.8A)
SAH  A 301 (-3.6A)
SAH  A 301 ( 3.7A)
 1.01A 4uciA-5epeA:
5.7		 4uciA-5epeA:
20.99
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.
5fcr COMPLEMENT FACTOR D

(Mus musculus) 		PF00089
(Trypsin) 		5 GLY A  43
GLY A 140
GLY A 142
SER A 197
ALA A  31
 None
 0.94A 4uciA-5fcrA:
undetectable		 4uciA-5fcrA:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 THR A  77
GLY A 101
GLY A 105
ALA A 154
ALA A 178
 SAM  A 301 (-3.5A)
SAM  A 301 (-3.4A)
SAM  A 301 ( 4.8A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
 0.91A 4uciA-5kvaA:
8.3		 4uciA-5kvaA:
22.57
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.
5lhv URIDINE
PHOSPHORYLASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		6 GLY A  69
GLU A 197
GLY A  67
GLY A  25
SER A  72
ALA A 118
 None
URI  A 303 (-2.7A)
NA  A 307 ( 4.0A)
SO4  A 301 (-3.3A)
NA  A 307 (-2.9A)
None
 1.32A 4uciA-5lhvA:
undetectable		 4uciA-5lhvA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5log PUTATIVE
O-METHYLTRANSFERASE

(Myxococcus
xanthus) 		PF01596
(Methyltransf_3) 		5 GLY A  67
GLY A  71
LEU A  92
ALA A 120
ALA A 143
 SAH  A1001 (-3.5A)
None
SAH  A1001 (-4.1A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.7A)
 0.74A 4uciA-5logA:
7.7		 4uciA-5logA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5min QUINOPROTEIN GLUCOSE
DEHYDROGENASE B

(Acinetobacter
calcoaceticus) 		no annotation 5 GLY A  81
GLY A  98
GLY A  78
ASN A  77
ALA A  83
 None
 0.90A 4uciA-5minA:
undetectable		 4uciA-5minA:
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.
5ny0 L. REUTERIS SRRP
BINDING REGION

(Lactobacillus
reuteri) 		no annotation 5 GLY A 347
GLY A 319
ASN A 318
ALA A 447
ALA A 408
 None
 0.94A 4uciA-5ny0A:
undetectable		 4uciA-5ny0A:
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.
5v6c HEMOLYSIN-RELATED
PROTEIN

(Vibrio cholerae) 		no annotation 5 THR A 831
GLY A 827
GLY A 952
SER A 891
ALA A 922
 None
 0.97A 4uciA-5v6cA:
undetectable		 4uciA-5v6cA:
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.
5wuf PUTATIVE MEMBRANE
PROTEIN

(Colwellia
psychrerythraea) 		PF03458
(UPF0126) 		5 GLY A  20
GLY A 132
SER A  19
LEU A  18
ALA A  38
 None
 0.86A 4uciA-5wufA:
undetectable		 4uciA-5wufA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x6a ENDOGLUCANASE,
PUTATIVE

(Aspergillus
fumigatus) 		no annotation 5 THR A  80
GLY A  16
GLY A   6
TRP A  79
ALA A  60
 None
 0.97A 4uciA-5x6aA:
undetectable		 4uciA-5x6aA:
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.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		5 GLY A  66
GLY A  68
GLY A  70
ALA A 120
ALA A 139
 SAM  A 301 (-3.5A)
SAM  A 301 (-3.4A)
SAM  A 301 ( 4.5A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.5A)
 0.60A 4uciA-5x7fA:
7.2		 4uciA-5x7fA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xww AMPHB

(Streptomyces
nodosus) 		no annotation 5 GLY A 225
GLY A 228
GLY A 232
ALA A 280
ALA A 306
 NAP  A 501 (-3.6A)
NAP  A 501 (-3.2A)
None
NAP  A 501 (-3.6A)
NAP  A 501 (-3.5A)
 0.90A 4uciA-5xwwA:
5.9		 4uciA-5xwwA:
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.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 5 GLY A 110
GLU A 109
GLY A 108
ALA A 148
ALA A 113
 CL  A 401 (-3.5A)
None
CL  A 401 (-4.6A)
None
CL  A 401 (-3.8A)
 0.96A 4uciA-6bq6A:
6.8		 4uciA-6bq6A:
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.
6epe PROTEASOME SUBUNIT
BETA TYPE-1

(Rattus
norvegicus) 		no annotation 5 GLY 6 113
GLU 6 143
GLY 6 144
GLY 6 146
ALA 6 116
 None
 1.00A 4uciA-6epe6:
undetectable		 4uciA-6epe6:
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.
6et9 ACETYL-COA
ACETYLTRANSFERASE
THIOLASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 6 GLY A 342
GLY A  88
GLY A  50
ASN A  51
SER A  89
ALA A 373
 None
 1.47A 4uciA-6et9A:
undetectable		 4uciA-6et9A:
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.
1dms DMSO REDUCTASE

(Rhodobacter
capsulatus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 SER A 323
ASP A 221
ASP A 234
ASP A 243
 PGD  A 783 (-2.6A)
PGD  A 783 (-2.9A)
None
PGD  A 783 (-2.8A)
 1.35A 4uciA-1dmsA:
2.5		 4uciA-1dmsA:
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.
1pe9 PECTATE LYASE A

(Dickeya
chrysanthemi) 		PF00544
(Pec_lyase_C) 		4 SER A  81
ASP A 144
ASP A 207
ASP A 128
 None
 1.25A 4uciA-1pe9A:
0.0		 4uciA-1pe9A:
21.40
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.
1qor QUINONE
OXIDOREDUCTASE

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 SER A 241
ASP A 220
ASP A 196
ASP A 215
 NDP  A 350 (-2.6A)
None
None
None
 1.36A 4uciA-1qorA:
0.6		 4uciA-1qorA:
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.
1y43 ASPERGILLOPEPSIN II
HEAVY CHAIN

(Aspergillus
niger) 		PF01828
(Peptidase_A4) 		4 SER B 117
ASP B 111
ASP B 150
ASP B 154
 None
 1.49A 4uciA-1y43B:
undetectable		 4uciA-1y43B:
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.
2rag DIPEPTIDASE

(Caulobacter
vibrioides) 		PF01244
(Peptidase_M19) 		4 SER A 249
ASP A  51
ASP A  81
ASP A  55
 None
None
None
ZN  A 418 ( 2.2A)
 1.32A 4uciA-2ragA:
0.0		 4uciA-2ragA:
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.
2z02 PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Methanocaldococcus
jannaschii) 		PF01259
(SAICAR_synt) 		4 SER A  60
ASP A 198
ASP A 135
ASP A 203
 None
ATP  A1527 (-4.3A)
None
None
 1.40A 4uciA-2z02A:
undetectable		 4uciA-2z02A:
20.44
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.
3or2 SULFITE REDCUTASE
SUBUNIT BETA

(Desulfovibrio
gigas) 		PF00037
(Fer4)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 SER B 290
ASP B 339
ASP B 330
ASP B 200
 SRM  B 581 (-2.5A)
None
None
None
 1.45A 4uciA-3or2B:
0.2		 4uciA-3or2B:
22.70
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.
3pie 5'->3'
EXORIBONUCLEASE
(XRN1)

(Kluyveromyces
lactis) 		PF03159
(XRN_N) 		4 SER A  38
ASP A  86
ASP A 183
ASP A 206
 None
 1.38A 4uciA-3pieA:
1.2		 4uciA-3pieA:
17.13
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.
4ok0 PUTATIVE

(Helicobacter
pylori) 		PF08843
(AbiEii) 		4 SER A  53
ASP A 162
ASP A 141
ASP A  57
 None
 1.14A 4uciA-4ok0A:
0.0		 4uciA-4ok0A:
24.23
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.
4oy4 CHIMERA PROTEIN OF
CALMODULIN, GPF-LIKE
PROTEIN EOSFP, AND
MYOSIN LIGHT CHAIN
KINASE

(Gallus gallus;
Rattus
norvegicus;
Lobophyllia
hemprichii) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		4 SER A 386
ASP A 200
ASP A 163
ASP A  79
 None
 1.39A 4uciA-4oy4A:
undetectable		 4uciA-4oy4A:
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.
4rxu PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Chloroflexus
aurantiacus) 		PF13407
(Peripla_BP_4) 		4 SER A 155
ASP A 186
ASP A 243
ASP A 298
 None
BGC  A 402 (-2.7A)
None
BGC  A 402 (-2.7A)
 1.48A 4uciA-4rxuA:
1.5		 4uciA-4rxuA:
20.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ucl RNA-DIRECTED RNA
POLYMERASE L

(Human
metapneumovirus) 		no annotation 4 SER A1668
ASP A1725
ASP A1755
ASP A1779
 None
 0.58A 4uciA-4uclA:
58.4		 4uciA-4uclA:
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.
5mqc VP1
VP3

(Black queen
cell virus;
Black queen
cell virus) 		PF08762
(CRPV_capsid)
no annotation 		4 SER C 258
ASP A 278
ASP C 101
ASP A  80
 None
 1.48A 4uciA-5mqcC:
undetectable		 4uciA-5mqcC:
21.90
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.
5wqk SULFURTRANSFERASE

(Mus musculus) 		PF00581
(Rhodanese) 		4 SER A  66
ASP A 273
ASP A 182
ASP A  73
 None
NA  A 302 (-3.1A)
None
7NC  A 301 ( 3.6A)
 1.11A 4uciA-5wqkA:
undetectable		 4uciA-5wqkA:
21.36
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.
5ww1 PULULLANASE

(Paenibacillus
barengoltzii) 		no annotation 4 SER A 270
ASP A 239
ASP A 310
ASP A 246
 None
CA  A 717 (-3.1A)
None
None
 1.25A 4uciA-5ww1A:
undetectable		 4uciA-5ww1A:
undetectable