SIMILAR PATTERNS OF AMINO ACIDS FOR 5EF2_A_TRPA101

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.
1b5t PROTEIN
(METHYLENETETRAHYDRO
FOLATE REDUCTASE)

(Escherichia
coli) 		PF02219
(MTHFR) 		5 GLY A 119
ALA A  62
HIS A  88
THR A  90
ILE A  92
 FAD  A 395 (-3.1A)
None
FAD  A 395 (-3.7A)
FAD  A 395 ( 4.2A)
None
 1.15A 5ef2A-1b5tA:
undetectable
5ef2B-1b5tA:
undetectable		 5ef2A-1b5tA:
18.80
5ef2B-1b5tA:
18.80
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.
1e5d RUBREDOXIN:OXYGEN
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		5 GLY A  14
GLY A 227
ALA A 173
THR A  34
ILE A 171
 None
 1.13A 5ef2A-1e5dA:
0.0
5ef2B-1e5dA:
0.0		 5ef2A-1e5dA:
16.21
5ef2B-1e5dA:
16.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1llu ALCOHOL
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  66
GLY A  90
ALA A 132
THR A 118
HIS A  67
 None
None
None
None
ZN  A 343 ( 3.3A)
 1.17A 5ef2A-1lluA:
undetectable
5ef2B-1lluA:
undetectable		 5ef2A-1lluA:
10.88
5ef2B-1lluA:
10.88
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.
1q8f PYRIMIDINE
NUCLEOSIDE HYDROLASE

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 THR A 287
GLY A 152
ALA A 174
THR A 273
ILE A 167
 None
 1.05A 5ef2A-1q8fA:
undetectable
5ef2B-1q8fA:
undetectable		 5ef2A-1q8fA:
13.50
5ef2B-1q8fA:
13.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tnu GERANYLGERANYL
TRANSFERASE TYPE I
BETA SUBUNIT

(Rattus
norvegicus) 		PF00432
(Prenyltrans) 		5 GLY B 262
GLY B 209
HIS B 219
THR B 223
ILE B 248
 None
None
MGM  B 379 (-3.7A)
None
None
 1.03A 5ef2A-1tnuB:
undetectable
5ef2B-1tnuB:
undetectable		 5ef2A-1tnuB:
12.68
5ef2B-1tnuB:
12.68
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.
1vcg ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Thermus
thermophilus) 		PF01070
(FMN_dh) 		5 GLY A 216
ALA A 274
THR A  26
THR A 243
ILE A 247
 FMN  A 501 ( 4.0A)
None
None
None
None
 1.09A 5ef2A-1vcgA:
undetectable
5ef2B-1vcgA:
undetectable		 5ef2A-1vcgA:
10.77
5ef2B-1vcgA:
10.77
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.
1wd3 ALPHA-L-ARABINOFURAN
OSIDASE B

(Aspergillus
kawachii) 		PF05270
(AbfB)
PF09206
(ArabFuran-catal) 		5 GLY A 193
GLY A 296
ALA A 197
HIS A 194
ILE A 291
 None
 0.79A 5ef2A-1wd3A:
0.2
5ef2B-1wd3A:
0.1		 5ef2A-1wd3A:
9.13
5ef2B-1wd3A:
9.13
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.
1yy5 FMS1 PROTEIN

(Saccharomyces
cerevisiae) 		PF01593
(Amino_oxidase) 		5 SER A 495
GLY A  15
ALA A  23
THR A 252
ILE A  13
 None
FAD  A 803 (-3.2A)
None
FAD  A 803 (-4.6A)
None
 0.97A 5ef2A-1yy5A:
undetectable
5ef2B-1yy5A:
0.0		 5ef2A-1yy5A:
9.73
5ef2B-1yy5A:
9.73
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.
1zuw GLUTAMATE RACEMASE 1

(Bacillus
subtilis) 		PF01177
(Asp_Glu_race) 		5 GLY A 184
THR A 186
HIS A 187
THR A 121
THR A 118
 None
DGL  A1301 (-3.1A)
DGL  A1301 (-4.2A)
None
DGL  A1301 (-3.5A)
 1.09A 5ef2A-1zuwA:
undetectable
5ef2B-1zuwA:
undetectable		 5ef2A-1zuwA:
13.97
5ef2B-1zuwA:
13.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b42 XYLANASE INHIBITOR-I

(Triticum
aestivum) 		PF14541
(TAXi_C)
PF14543
(TAXi_N) 		5 GLY A 119
THR A 100
HIS A  21
ALA A 141
ILE A  18
 None
 0.99A 5ef2A-2b42A:
undetectable
5ef2B-2b42A:
undetectable		 5ef2A-2b42A:
10.50
5ef2B-2b42A:
10.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c79 GLYCOSIDE HYDROLASE,
FAMILY
11:CLOSTRIDIUM
CELLULOSOME ENZYME,
DOCKERIN TYPE
I:POLYSACCHARIDE

(Ruminiclostridium
thermocellum) 		PF01522
(Polysacc_deac_1) 		5 GLY A 533
GLY A 537
THR A 659
HIS A 534
THR A 510
 None
 1.03A 5ef2A-2c79A:
undetectable
5ef2B-2c79A:
undetectable		 5ef2A-2c79A:
14.85
5ef2B-2c79A:
14.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ctr DNAJ HOMOLOG
SUBFAMILY B MEMBER 9

(Homo sapiens) 		PF00226
(DnaJ) 		5 GLY A  72
THR A  77
GLY A   7
ALA A  55
ILE A  12
 None
 0.99A 5ef2A-2ctrA:
undetectable
5ef2B-2ctrA:
undetectable		 5ef2A-2ctrA:
24.71
5ef2B-2ctrA:
24.71
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.
2d2x 2-DEOXY-SCYLLO-INOSO
SE SYNTHASE

(Bacillus
circulans) 		PF01761
(DHQ_synthase) 		5 GLY A 104
THR A 106
THR A 129
THR A 128
ILE A  49
 GOL  A 607 (-4.1A)
CO  A 603 (-4.0A)
GOL  A 607 (-3.3A)
None
None
 1.04A 5ef2A-2d2xA:
undetectable
5ef2B-2d2xA:
undetectable		 5ef2A-2d2xA:
12.47
5ef2B-2d2xA:
12.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2det TRNA-SPECIFIC
2-THIOURIDYLASE MNMA

(Escherichia
coli) 		PF03054
(tRNA_Me_trans) 		5 GLY A  14
THR A 189
SER A  18
ALA A  22
ILE A  67
 SO4  A5001 (-4.0A)
None
SO4  A5001 (-2.7A)
None
None
 0.92A 5ef2A-2detA:
undetectable
5ef2B-2detA:
undetectable		 5ef2A-2detA:
11.89
5ef2B-2detA:
11.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dw4 LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 SER A 817
GLY A 285
ALA A 293
THR A 624
ILE A 283
 None
FAD  A1001 (-3.2A)
None
FAD  A1001 (-4.9A)
None
 0.90A 5ef2A-2dw4A:
undetectable
5ef2B-2dw4A:
undetectable		 5ef2A-2dw4A:
8.15
5ef2B-2dw4A:
8.15
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.
2dwu GLUTAMATE RACEMASE

(Bacillus
anthracis) 		PF01177
(Asp_Glu_race) 		5 GLY A 187
THR A 189
HIS A 190
THR A 124
THR A 121
 None
DGL  A 278 (-3.0A)
DGL  A 278 ( 4.5A)
None
DGL  A 278 (-3.6A)
 1.09A 5ef2A-2dwuA:
undetectable
5ef2B-2dwuA:
undetectable		 5ef2A-2dwuA:
16.50
5ef2B-2dwuA:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		5 GLY B 677
ALA B 688
THR B 417
HIS B 682
ILE B 676
 None
None
None
NI  B 901 (-2.8A)
None
 1.08A 5ef2A-2fffB:
undetectable
5ef2B-2fffB:
undetectable		 5ef2A-2fffB:
11.03
5ef2B-2fffB:
11.03
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A
ADENYLYLSULFATE
REDUCTASE, SUBUNIT B

(Archaeoglobus
fulgidus;
Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
PF12139
(APS-reductase_C)
PF13187
(Fer4_9) 		5 GLY A 456
GLY A 118
HIS A 115
ALA B 832
ILE B 837
 None
 1.11A 5ef2A-2fjaA:
undetectable
5ef2B-2fjaA:
undetectable		 5ef2A-2fjaA:
7.47
5ef2B-2fjaA:
7.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gtx METHIONINE
AMINOPEPTIDASE

(Escherichia
coli) 		PF00557
(Peptidase_M24) 		5 GLY A 172
GLY A 107
HIS A 106
THR A 202
THR A 237
 None
None
None
MN  A   1 ( 3.7A)
None
 0.99A 5ef2A-2gtxA:
undetectable
5ef2B-2gtxA:
undetectable		 5ef2A-2gtxA:
18.59
5ef2B-2gtxA:
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.
2gzm GLUTAMATE RACEMASE

(Bacillus
anthracis) 		PF01177
(Asp_Glu_race) 		5 GLY A 184
THR A 186
HIS A 187
THR A 121
THR A 118
 None
DGL  A 501 (-3.0A)
DGL  A 501 (-4.4A)
None
DGL  A 501 (-3.6A)
 1.09A 5ef2A-2gzmA:
undetectable
5ef2B-2gzmA:
undetectable		 5ef2A-2gzmA:
13.75
5ef2B-2gzmA:
13.75
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.
2hk0 D-PSICOSE
3-EPIMERASE

(Agrobacterium
tumefaciens) 		PF01261
(AP_endonuc_2) 		5 GLY A 105
ALA A 240
THR A 103
THR A  63
ILE A  32
 GLY  A 105 ( 0.0A)
ALA  A 240 ( 0.0A)
THR  A 103 ( 0.8A)
THR  A  63 ( 0.8A)
ILE  A  32 ( 0.6A)
 1.09A 5ef2A-2hk0A:
undetectable
5ef2B-2hk0A:
undetectable		 5ef2A-2hk0A:
13.40
5ef2B-2hk0A:
13.40
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.
2jfq GLUTAMATE RACEMASE

(Staphylococcus
aureus) 		PF01177
(Asp_Glu_race) 		5 GLY A 183
THR A 185
HIS A 186
THR A 119
THR A 116
 None
DGL  A1267 (-2.8A)
DGL  A1267 (-4.4A)
None
DGL  A1267 (-3.7A)
 1.09A 5ef2A-2jfqA:
undetectable
5ef2B-2jfqA:
undetectable		 5ef2A-2jfqA:
16.22
5ef2B-2jfqA:
16.22
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.
2jgr YEGS

(Escherichia
coli) 		PF00781
(DAGK_cat) 		5 GLY A  13
THR A  40
GLY A  68
ALA A  63
ILE A  70
 None
None
POP  A1300 (-3.1A)
None
None
 1.15A 5ef2A-2jgrA:
3.0
5ef2B-2jgrA:
undetectable		 5ef2A-2jgrA:
14.23
5ef2B-2jgrA:
14.23
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.
2rkb SERINE
DEHYDRATASE-LIKE

(Homo sapiens) 		PF00291
(PALP) 		5 GLY A 203
GLY A 174
ALA A 275
THR A 201
HIS A 205
 None
PLP  A 400 ( 3.3A)
PLP  A 400 ( 4.0A)
None
None
 1.07A 5ef2A-2rkbA:
undetectable
5ef2B-2rkbA:
undetectable		 5ef2A-2rkbA:
12.38
5ef2B-2rkbA:
12.38
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.
2vvt GLUTAMATE RACEMASE

(Enterococcus
faecalis) 		PF01177
(Asp_Glu_race) 		5 GLY A 184
THR A 186
HIS A 187
THR A 121
THR A 118
 None
DGL  A1270 (-3.0A)
I24  A1269 (-3.9A)
None
DGL  A1270 (-3.6A)
 1.10A 5ef2A-2vvtA:
undetectable
5ef2B-2vvtA:
undetectable		 5ef2A-2vvtA:
12.76
5ef2B-2vvtA:
12.76
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.
2w4i GLUTAMATE RACEMASE

(Helicobacter
pylori) 		PF01177
(Asp_Glu_race) 		5 GLY A 180
THR A 182
HIS A 183
THR A 119
THR A 116
 None
DGL  A1256 (-3.1A)
DGL  A1256 ( 4.5A)
None
DGL  A1256 (-3.5A)
 1.10A 5ef2A-2w4iA:
undetectable
5ef2B-2w4iA:
undetectable		 5ef2A-2w4iA:
14.79
5ef2B-2w4iA:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y8u CHITIN DEACETYLASE

(Aspergillus
nidulans) 		PF01522
(Polysacc_deac_1) 		5 GLY A  91
GLY A  95
THR A 223
HIS A  92
THR A  69
 None
 0.99A 5ef2A-2y8uA:
undetectable
5ef2B-2y8uA:
undetectable		 5ef2A-2y8uA:
14.60
5ef2B-2y8uA:
14.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 GLY A 114
GLY A 170
ALA A 110
HIS A 215
ILE A 168
 None
None
None
ZN  A5648 (-3.4A)
None
 1.13A 5ef2A-2z1aA:
undetectable
5ef2B-2z1aA:
undetectable		 5ef2A-2z1aA:
9.33
5ef2B-2z1aA:
9.33
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.
3b05 ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Sulfolobus
shibatae) 		PF01070
(FMN_dh) 		5 GLY A 222
ALA A 285
THR A  27
THR A 254
ILE A 258
 FNR  A 669 (-3.4A)
None
None
None
None
 1.15A 5ef2A-3b05A:
undetectable
5ef2B-3b05A:
undetectable		 5ef2A-3b05A:
13.61
5ef2B-3b05A:
13.61
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.
3b8i PA4872 OXALOACETATE
DECARBOXYLASE

(Pseudomonas
aeruginosa) 		PF13714
(PEP_mutase) 		5 GLY A  94
GLY A 138
ALA A 145
HIS A  91
ILE A 142
 None
 1.17A 5ef2A-3b8iA:
undetectable
5ef2B-3b8iA:
undetectable		 5ef2A-3b8iA:
13.45
5ef2B-3b8iA:
13.45
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.
3b9g IAG-NUCLEOSIDE
HYDROLASE

(Trypanosoma
vivax) 		PF01156
(IU_nuc_hydro) 		5 THR A 295
GLY A 166
ALA A 194
THR A 284
ILE A 187
 None
 0.99A 5ef2A-3b9gA:
undetectable
5ef2B-3b9gA:
undetectable		 5ef2A-3b9gA:
13.11
5ef2B-3b9gA:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bbl REGULATORY PROTEIN
OF LACI FAMILY

(Chloroflexus
aggregans) 		PF13377
(Peripla_BP_3) 		5 GLY A 227
GLY A 281
ALA A 262
THR A 253
ILE A 279
 None
 1.09A 5ef2A-3bblA:
undetectable
5ef2B-3bblA:
undetectable		 5ef2A-3bblA:
14.08
5ef2B-3bblA:
14.08
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.
3bil PROBABLE LACI-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Corynebacterium
glutamicum) 		PF13407
(Peripla_BP_4) 		5 GLY A 187
THR A 243
GLY A 274
ALA A 174
ILE A 291
 None
 1.02A 5ef2A-3bilA:
undetectable
5ef2B-3bilA:
undetectable		 5ef2A-3bilA:
12.79
5ef2B-3bilA:
12.79
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.
3cb5 FACT COMPLEX SUBUNIT
SPT16

(Schizosaccharomyces
pombe) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		5 GLY A 295
ALA A 187
THR A 426
THR A 414
ILE A 184
 None
 0.95A 5ef2A-3cb5A:
undetectable
5ef2B-3cb5A:
undetectable		 5ef2A-3cb5A:
9.95
5ef2B-3cb5A:
9.95
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.
3cdx SUCCINYLGLUTAMATEDES
UCCINYLASE/ASPARTOAC
YLASE

(Rhodobacter
sphaeroides) 		PF04952
(AstE_AspA) 		5 GLY A 110
SER A 126
GLY A  63
HIS A  62
ILE A  99
 None
None
None
CA  A 401 (-3.4A)
None
 1.12A 5ef2A-3cdxA:
undetectable
5ef2B-3cdxA:
undetectable		 5ef2A-3cdxA:
11.68
5ef2B-3cdxA:
11.68
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.
3fmq METHIONINE
AMINOPEPTIDASE 2

(Encephalitozoon
cuniculi) 		PF00557
(Peptidase_M24) 		5 GLY A 332
GLY A 251
ALA A 107
THR A 247
ILE A 204
 None
 0.99A 5ef2A-3fmqA:
undetectable
5ef2B-3fmqA:
undetectable		 5ef2A-3fmqA:
13.14
5ef2B-3fmqA:
13.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g0o 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Salmonella
enterica) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 GLY A  29
GLY A  10
ALA A  21
THR A  32
ILE A  11
 None
 1.14A 5ef2A-3g0oA:
undetectable
5ef2B-3g0oA:
undetectable		 5ef2A-3g0oA:
11.84
5ef2B-3g0oA:
11.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 341
SER A 339
HIS A 345
HIS A 342
ILE A 203
 None
None
CL  A 502 (-4.6A)
None
None
 1.16A 5ef2A-3ip1A:
undetectable
5ef2B-3ip1A:
undetectable		 5ef2A-3ip1A:
11.50
5ef2B-3ip1A:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iwj PUTATIVE
AMINOALDEHYDE
DEHYDROGENASE

(Pisum sativum) 		PF00171
(Aldedh) 		5 GLY A 396
GLY A 363
ALA A 352
THR A 378
ILE A 359
 None
 0.92A 5ef2A-3iwjA:
undetectable
5ef2B-3iwjA:
undetectable		 5ef2A-3iwjA:
10.54
5ef2B-3iwjA:
10.54
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.
3iwk AMINOALDEHYDE
DEHYDROGENASE

(Pisum sativum) 		PF00171
(Aldedh) 		5 GLY A 396
GLY A 363
ALA A 352
THR A 378
ILE A 359
 None
 0.91A 5ef2A-3iwkA:
undetectable
5ef2B-3iwkA:
undetectable		 5ef2A-3iwkA:
10.34
5ef2B-3iwkA:
10.34
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.
3jsk CYPBP37 PROTEIN

(Neurospora
crassa) 		PF01946
(Thi4) 		5 SER A 322
GLY A  86
ALA A  94
THR A 246
ILE A  84
 None
AHZ  A 500 (-3.0A)
None
None
None
 1.12A 5ef2A-3jskA:
undetectable
5ef2B-3jskA:
undetectable		 5ef2A-3jskA:
13.37
5ef2B-3jskA:
13.37
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.
3meq ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Brucella suis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  84
GLY A  88
HIS A 137
ALA A 130
ILE A  89
 None
 1.04A 5ef2A-3meqA:
undetectable
5ef2B-3meqA:
undetectable		 5ef2A-3meqA:
10.66
5ef2B-3meqA:
10.66
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.
3out GLUTAMATE RACEMASE

(Francisella
tularensis) 		PF01177
(Asp_Glu_race) 		5 GLY A 182
THR A 184
HIS A 185
THR A 119
THR A 116
 None
DGL  A 266 (-3.3A)
DGL  A 266 ( 4.8A)
None
DGL  A 266 ( 3.8A)
 1.08A 5ef2A-3outA:
undetectable
5ef2B-3outA:
undetectable		 5ef2A-3outA:
12.83
5ef2B-3outA:
12.83
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.
3s2g ZINC-CONTAINING
ALCOHOL
DEHYDROGENASE
SUPERFAMILY

(Cupriavidus
pinatubonensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  64
GLY A  88
ALA A 130
THR A 116
HIS A  65
 None
None
None
None
ZN  A 500 ( 3.3A)
 1.17A 5ef2A-3s2gA:
undetectable
5ef2B-3s2gA:
undetectable		 5ef2A-3s2gA:
11.25
5ef2B-3s2gA:
11.25
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.
3tox SHORT CHAIN
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 GLY A  94
SER A 120
ALA A 124
THR A  14
ILE A  12
 NAP  A 601 (-3.2A)
None
None
None
None
 0.94A 5ef2A-3toxA:
undetectable
5ef2B-3toxA:
undetectable		 5ef2A-3toxA:
15.71
5ef2B-3toxA:
15.71
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.
3u3x OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLY A 253
THR A 251
GLY A 277
HIS A 172
ILE A 167
 None
 1.13A 5ef2A-3u3xA:
undetectable
5ef2B-3u3xA:
undetectable		 5ef2A-3u3xA:
12.50
5ef2B-3u3xA:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wpe TOLL-LIKE RECEPTOR 9

(Bos taurus) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		5 SER A 148
GLY A 133
HIS A 151
THR A 152
ILE A 134
 None
 1.17A 5ef2A-3wpeA:
undetectable
5ef2B-3wpeA:
undetectable		 5ef2A-3wpeA:
7.17
5ef2B-3wpeA:
7.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zte TRYPTOPHAN OPERON
RNA-BINDING
ATTENUATION PROTEIN
(TRAP)

(Bacillus
licheniformis) 		PF02081
(TrpBP) 		6 GLY A  23
HIS A  34
THR A  49
HIS A  51
THR A  52
ILE A  55
 TRP  A  80 (-3.5A)
TRP  A  80 ( 4.9A)
TRP  A  80 (-2.8A)
None
TRP  A  80 (-3.6A)
TRP  A  80 ( 4.6A)
 0.24A 5ef2A-3zteA:
14.5
5ef2B-3zteA:
14.6		 5ef2A-3zteA:
78.21
5ef2B-3zteA:
78.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zzl TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Bacillus
halodurans) 		PF02081
(TrpBP) 		6 GLY A  23
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
 TRP  A  81 (-3.5A)
TRP  A  81 ( 4.7A)
TRP  A  81 ( 3.7A)
TRP  A  81 ( 2.9A)
None
TRP  A  81 (-3.7A)
 0.29A 5ef2A-3zzlA:
13.2
5ef2B-3zzlA:
13.3		 5ef2A-3zzlA:
71.43
5ef2B-3zzlA:
71.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zzq TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Bacillus
subtilis) 		PF02081
(TrpBP) 		6 GLY A  23
HIS A  34
ALA A  46
THR A  49
THR A  52
ILE A  55
 TRP  A  81 (-3.4A)
TRP  A  81 ( 4.9A)
TRP  A  81 ( 3.7A)
TRP  A  81 ( 2.9A)
TRP  A  81 (-3.8A)
TRP  A  81 ( 4.4A)
 0.19A 5ef2A-3zzqA:
13.8
5ef2B-3zzqA:
13.9		 5ef2A-3zzqA:
80.00
5ef2B-3zzqA:
80.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zzs TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Geobacillus
stearothermophilus) 		PF02081
(TrpBP) 		7 GLY A  23
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 TRP  A1072 (-3.5A)
TRP  A1072 ( 4.7A)
TRP  A1072 ( 3.8A)
TRP  A1072 (-2.9A)
None
TRP  A1072 (-3.8A)
TRP  A1072 ( 4.4A)
 0.09A 5ef2A-3zzsA:
13.7
5ef2B-3zzsA:
13.9		 5ef2A-3zzsA:
100.00
5ef2B-3zzsA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b27 TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Bacillus
subtilis) 		PF02081
(TrpBP) 		7 GLY A  23
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 GLY  A  23 (-0.0A)
HIS  A  34 ( 1.0A)
ALA  A  46 ( 0.0A)
THR  A  49 (-0.8A)
HIS  A  51 ( 1.0A)
THR  A  52 (-0.8A)
ILE  A  55 ( 0.6A)
 0.20A 5ef2A-4b27A:
13.3
5ef2B-4b27A:
13.4		 5ef2A-4b27A:
76.32
5ef2B-4b27A:
76.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A

(Homo sapiens) 		PF00995
(Sec1) 		5 SER A 504
ALA A 500
THR A 572
THR A 545
ILE A 547
 None
 1.11A 5ef2A-4bx9A:
undetectable
5ef2B-4bx9A:
undetectable		 5ef2A-4bx9A:
7.91
5ef2B-4bx9A:
7.91
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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		5 GLY A  26
ALA A  18
THR A  29
THR A   6
ILE A 159
 None
 0.82A 5ef2A-4cnkA:
undetectable
5ef2B-4cnkA:
undetectable		 5ef2A-4cnkA:
12.76
5ef2B-4cnkA:
12.76
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.
4dal PUTATIVE ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 GLY A 381
GLY A 350
ALA A 338
THR A 363
ILE A 346
 GOL  A 600 (-4.6A)
None
None
None
None
 0.96A 5ef2A-4dalA:
undetectable
5ef2B-4dalA:
undetectable		 5ef2A-4dalA:
9.83
5ef2B-4dalA:
9.83
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.
4fc7 PEROXISOMAL
2,4-DIENOYL-COA
REDUCTASE

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 THR A  76
ALA A  69
HIS A  54
THR A  55
ILE A  57
 None
 1.17A 5ef2A-4fc7A:
undetectable
5ef2B-4fc7A:
undetectable		 5ef2A-4fc7A:
16.60
5ef2B-4fc7A:
16.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fo7 METHIONINE
AMINOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF00557
(Peptidase_M24) 		5 GLY A 171
GLY A 106
HIS A 105
THR A 201
THR A 236
 None
None
None
MN  A 301 ( 3.8A)
None
 1.03A 5ef2A-4fo7A:
undetectable
5ef2B-4fo7A:
undetectable		 5ef2A-4fo7A:
15.30
5ef2B-4fo7A:
15.30
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.
4fuk METHIONINE
AMINOPEPTIDASE

(Trypanosoma
brucei) 		PF00557
(Peptidase_M24) 		5 GLY A 286
GLY A 221
HIS A 220
THR A 316
THR A 351
 None
None
None
ZN  A 401 ( 3.6A)
None
 1.06A 5ef2A-4fukA:
undetectable
5ef2B-4fukA:
undetectable		 5ef2A-4fukA:
11.94
5ef2B-4fukA:
11.94
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.
4g3t OXIDOREDUCTASE DPRE1

(Mycolicibacterium
smegmatis) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		5 GLY A 140
GLY A 150
HIS A 152
HIS A 139
ILE A 134
 None
 1.17A 5ef2A-4g3tA:
undetectable
5ef2B-4g3tA:
undetectable		 5ef2A-4g3tA:
12.31
5ef2B-4g3tA:
12.31
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.
4h1s 5'-NUCLEOTIDASE

(Homo sapiens) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 GLY A 116
GLY A 175
ALA A 112
HIS A 220
ILE A 173
 None
None
None
ZN  A 602 (-3.3A)
None
 1.14A 5ef2A-4h1sA:
undetectable
5ef2B-4h1sA:
undetectable		 5ef2A-4h1sA:
9.39
5ef2B-4h1sA:
9.39
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.
4h27 L-SERINE
DEHYDRATASE/L-THREON
INE DEAMINASE

(Homo sapiens) 		PF00291
(PALP) 		5 GLY A 197
GLY A 168
ALA A 269
THR A 195
HIS A 199
 None
LLP  A  41 ( 3.5A)
LLP  A  41 ( 3.6A)
None
None
 1.14A 5ef2A-4h27A:
undetectable
5ef2B-4h27A:
undetectable		 5ef2A-4h27A:
13.46
5ef2B-4h27A:
13.46
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.
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM)
PF07496
(zf-CW) 		5 SER A 811
GLY A 389
ALA A 397
THR A 626
ILE A 387
 None
FAD  A 901 (-3.3A)
None
None
None
 0.94A 5ef2A-4hsuA:
undetectable
5ef2B-4hsuA:
undetectable		 5ef2A-4hsuA:
7.64
5ef2B-4hsuA:
7.64
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.
4hxx METHIONINE
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24) 		5 GLY A 304
GLY A 239
HIS A 238
THR A 334
THR A 369
 None
None
None
CO  A 401 ( 3.6A)
None
 1.04A 5ef2A-4hxxA:
undetectable
5ef2B-4hxxA:
undetectable		 5ef2A-4hxxA:
11.80
5ef2B-4hxxA:
11.80
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.
4i8p AMINOALDEHYDE
DEHYDROGENASE 1

(Zea mays) 		PF00171
(Aldedh) 		5 GLY A 398
GLY A 365
ALA A 354
THR A 380
ILE A 361
 None
 0.96A 5ef2A-4i8pA:
undetectable
5ef2B-4i8pA:
undetectable		 5ef2A-4i8pA:
9.81
5ef2B-4i8pA:
9.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i8q PUTATIVE BETAINE
ALDEHYDE
DEHYROGENASE

(Solanum
lycopersicum) 		PF00171
(Aldedh) 		5 GLY A 397
GLY A 364
ALA A 353
THR A 379
ILE A 360
 None
 0.92A 5ef2A-4i8qA:
undetectable
5ef2B-4i8qA:
undetectable		 5ef2A-4i8qA:
9.01
5ef2B-4i8qA:
9.01
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.
4iu6 METHIONINE
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24) 		5 GLY A 304
GLY A 239
HIS A 238
THR A 334
THR A 369
 None
None
None
CO  A 401 (-3.5A)
None
 1.03A 5ef2A-4iu6A:
undetectable
5ef2B-4iu6A:
undetectable		 5ef2A-4iu6A:
12.50
5ef2B-4iu6A:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jre IMMUNOGLOBULIN
GAMMA-2A, HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER B  77
GLY B  33
ALA B  79
THR B  53
ILE B  51
 None
 1.02A 5ef2A-4jreB:
undetectable
5ef2B-4jreB:
undetectable		 5ef2A-4jreB:
15.89
5ef2B-4jreB:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l1g PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Bacillus cereus) 		PF01522
(Polysacc_deac_1) 		5 GLY A 125
GLY A 129
THR A 255
HIS A 126
THR A 103
 None
 1.14A 5ef2A-4l1gA:
undetectable
5ef2B-4l1gA:
undetectable		 5ef2A-4l1gA:
12.31
5ef2B-4l1gA:
12.31
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.
4lz6 BH2163 PROTEIN

(Bacillus
halodurans) 		PF01554
(MatE) 		5 SER A 271
GLY A  55
THR A 129
THR A 132
ILE A  58
 None
 1.08A 5ef2A-4lz6A:
undetectable
5ef2B-4lz6A:
undetectable		 5ef2A-4lz6A:
11.37
5ef2B-4lz6A:
11.37
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.
4m7g TRYPSIN-LIKE
PROTEASE

(Saccharopolyspora
erythraea) 		PF00089
(Trypsin) 		5 GLY A 206
THR A 174
GLY A 191
ALA A 119
ILE A 190
 None
 0.94A 5ef2A-4m7gA:
undetectable
5ef2B-4m7gA:
undetectable		 5ef2A-4m7gA:
17.16
5ef2B-4m7gA:
17.16
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.
4mzy NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Enterococcus
faecalis) 		PF04095
(NAPRTase) 		5 GLY A 192
GLY A 174
THR A 186
THR A 175
ILE A 320
 None
 1.01A 5ef2A-4mzyA:
undetectable
5ef2B-4mzyA:
undetectable		 5ef2A-4mzyA:
13.27
5ef2B-4mzyA:
13.27
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.
4oe6 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00171
(Aldedh) 		5 GLY A 461
GLY A 430
ALA A 418
THR A 443
ILE A 426
 None
 1.01A 5ef2A-4oe6A:
undetectable
5ef2B-4oe6A:
undetectable		 5ef2A-4oe6A:
8.98
5ef2B-4oe6A:
8.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ook METHIONINE
AMINOPEPTIDASE 2

(Mycobacterium
tuberculosis) 		PF00557
(Peptidase_M24) 		5 GLY A 206
GLY A 141
HIS A 140
THR A 236
THR A 271
 None
NA  A 305 (-3.2A)
None
CO  A 302 (-3.4A)
NA  A 305 ( 3.9A)
 0.96A 5ef2A-4ookA:
undetectable
5ef2B-4ookA:
undetectable		 5ef2A-4ookA:
13.69
5ef2B-4ookA:
13.69
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.
4opu CONSERVED ARCHAEAL
PROTEIN

(Sulfolobus
acidocaldarius) 		PF01266
(DAO) 		5 GLY A 290
SER A 307
GLY A  12
ALA A  20
ILE A  10
 None
None
FDA  A 501 (-3.1A)
None
None
 1.13A 5ef2A-4opuA:
undetectable
5ef2B-4opuA:
undetectable		 5ef2A-4opuA:
11.00
5ef2B-4opuA:
11.00
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.
4rjw PORIN O

(Pseudomonas
aeruginosa) 		PF07396
(Porin_O_P) 		5 GLY A 361
GLY A 248
ALA A 297
THR A 363
ILE A 220
 None
 1.12A 5ef2A-4rjwA:
undetectable
5ef2B-4rjwA:
undetectable		 5ef2A-4rjwA:
11.50
5ef2B-4rjwA:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ure CYCLOHEXANOL
DEHYDROGENASE

(Aromatoleum
aromaticum) 		PF13561
(adh_short_C2) 		5 GLY A 161
SER A 141
GLY A 148
THR A 156
ILE A 149
 None
 1.00A 5ef2A-4ureA:
undetectable
5ef2B-4ureA:
undetectable		 5ef2A-4ureA:
17.32
5ef2B-4ureA:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yfm BETA-LACTAMASE

(Mycobacteroides
abscessus) 		PF13354
(Beta-lactamase2) 		5 GLY A  44
GLY A 272
ALA A 279
THR A 262
ILE A 276
 None
 1.11A 5ef2A-4yfmA:
undetectable
5ef2B-4yfmA:
undetectable		 5ef2A-4yfmA:
15.00
5ef2B-4yfmA:
15.00
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.
4yra L-THREONINE
3-DEHYDROGENASE,
MITOCHONDRIAL

(Mus musculus) 		PF01370
(Epimerase) 		5 GLY A 172
THR A 193
SER A 330
ALA A 326
THR A 236
 None
 1.08A 5ef2A-4yraA:
undetectable
5ef2B-4yraA:
undetectable		 5ef2A-4yraA:
12.91
5ef2B-4yraA:
12.91
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.
5a62 PUTATIVE ALPHA/BETA
HYDROLASE FOLD
PROTEIN

(Candidatus
Nitrososphaera
gargensis) 		PF00561
(Abhydrolase_1) 		5 GLY A  33
GLY A 101
HIS A  98
HIS A  61
ILE A 103
 None
 1.08A 5ef2A-5a62A:
undetectable
5ef2B-5a62A:
undetectable		 5ef2A-5a62A:
17.15
5ef2B-5a62A:
17.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eex TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Geobacillus
stearothermophilus) 		PF02081
(TrpBP) 		7 GLY A  23
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 None
 0.12A 5ef2A-5eexA:
16.7
5ef2B-5eexA:
15.8		 5ef2A-5eexA:
100.00
5ef2B-5eexA:
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT ZETA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 GLY z  90
THR z  87
GLY z 519
ALA z  79
ILE z 523
 None
 1.11A 5ef2A-5gw5z:
undetectable
5ef2B-5gw5z:
undetectable		 5ef2A-5gw5z:
8.97
5ef2B-5gw5z:
8.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h7w VENOM
5'-NUCLEOTIDASE

(Naja atra) 		no annotation 5 GLY A 116
GLY A 175
ALA A 112
HIS A 220
ILE A 173
 None
None
None
ZN  A 606 (-3.1A)
None
 1.08A 5ef2A-5h7wA:
undetectable
5ef2B-5h7wA:
undetectable		 5ef2A-5h7wA:
8.88
5ef2B-5h7wA:
8.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hj7 GLUTAMATE RACEMASE

(Mycobacterium
tuberculosis) 		PF01177
(Asp_Glu_race) 		5 GLY A 184
THR A 186
HIS A 187
THR A 122
THR A 119
 None
DGL  A 301 (-2.9A)
DGL  A 301 ( 4.4A)
None
DGL  A 301 (-3.6A)
 1.13A 5ef2A-5hj7A:
undetectable
5ef2B-5hj7A:
undetectable		 5ef2A-5hj7A:
16.27
5ef2B-5hj7A:
16.27
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.
5ijw GLUTAMATE RACEMASE

(Mycolicibacterium
smegmatis) 		PF01177
(Asp_Glu_race) 		5 GLY A 185
THR A 187
HIS A 188
THR A 123
THR A 120
 None
DGL  A 301 (-3.0A)
DGL  A 301 (-4.4A)
None
DGL  A 301 (-3.5A)
 1.12A 5ef2A-5ijwA:
undetectable
5ef2B-5ijwA:
undetectable		 5ef2A-5ijwA:
14.49
5ef2B-5ijwA:
14.49
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.
5ikl GERANYL-COA
CARBOXYLASE,
BETA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF01039
(Carboxyl_trans) 		5 GLY B 343
THR B 327
GLY B 378
ALA B 423
THR B 376
 None
 0.99A 5ef2A-5iklB:
undetectable
5ef2B-5iklB:
undetectable		 5ef2A-5iklB:
10.40
5ef2B-5iklB:
10.40
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.
5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 SER A 817
GLY A 285
ALA A 293
THR A 624
ILE A 283
 None
FAD  A 901 (-3.3A)
None
None
None
 0.92A 5ef2A-5l3dA:
undetectable
5ef2B-5l3dA:
undetectable		 5ef2A-5l3dA:
6.27
5ef2B-5l3dA:
6.27
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.
5lgc ARCE4A

(Arthrobacter
sp. AW19M34-1) 		PF01522
(Polysacc_deac_1) 		6 GLY A  76
GLY A  80
THR A 199
HIS A  77
THR A  54
ILE A 118
 None
 1.08A 5ef2A-5lgcA:
undetectable
5ef2B-5lgcA:
undetectable		 5ef2A-5lgcA:
17.89
5ef2B-5lgcA:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mmh HTH-TYPE
TRANSCRIPTIONAL
ACTIVATOR AMPR

(Pseudomonas
aeruginosa) 		PF03466
(LysR_substrate) 		5 GLY A 150
GLY A 154
HIS A 153
THR A 267
THR A 155
 None
 1.08A 5ef2A-5mmhA:
undetectable
5ef2B-5mmhA:
undetectable		 5ef2A-5mmhA:
17.67
5ef2B-5mmhA:
17.67
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.
5nii THIOREDOXIN
REDUCTASE

(Desulfovibrio
vulgaris) 		no annotation 5 GLY A 249
THR A 268
ALA A 284
THR A 256
ILE A 105
 None
NA  A 402 (-3.5A)
None
None
None
 1.16A 5ef2A-5niiA:
undetectable
5ef2B-5niiA:
undetectable		 5ef2A-5niiA:
undetectable
5ef2B-5niiA:
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.
5o1m RUBBER OXYGENASE

(Streptomyces
sp. K30) 		PF09995
(DUF2236) 		5 SER A 186
GLY A 172
ALA A 180
THR A 190
ILE A 175
 None
 1.17A 5ef2A-5o1mA:
undetectable
5ef2B-5o1mA:
undetectable		 5ef2A-5o1mA:
12.64
5ef2B-5o1mA:
12.64
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.
5o6y PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Bacillus cereus) 		no annotation 5 GLY B 125
GLY B 129
THR B 255
HIS B 126
THR B 103
 None
None
NA  B 317 (-3.6A)
None
None
 1.13A 5ef2A-5o6yB:
undetectable
5ef2B-5o6yB:
undetectable		 5ef2A-5o6yB:
undetectable
5ef2B-5o6yB:
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.
5u6f LPXTG-MOTIF CELL
WALL ANCHOR DOMAIN
PROTEIN

(Mobiluncus
mulieris) 		no annotation 5 GLY A  22
THR A  20
GLY A 225
THR A 278
ILE A 269
 None
 0.92A 5ef2A-5u6fA:
1.9
5ef2B-5u6fA:
1.9		 5ef2A-5u6fA:
undetectable
5ef2B-5u6fA:
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.
5w16 GLUTAMATE RACEMASE

(Thermus
thermophilus) 		no annotation 5 GLY A 175
THR A 177
HIS A 178
THR A 119
THR A 116
 None
DGL  A 301 (-2.9A)
DGL  A 301 ( 3.9A)
None
DGL  A 301 (-3.5A)
 1.15A 5ef2A-5w16A:
undetectable
5ef2B-5w16A:
undetectable		 5ef2A-5w16A:
undetectable
5ef2B-5w16A:
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.
5w4c THIOREDOXIN
REDUCTASE

(Cryptococcus
neoformans) 		no annotation 5 GLY A 248
GLY A 166
ALA A 244
THR A 161
ILE A 167
 None
 0.94A 5ef2A-5w4cA:
undetectable
5ef2B-5w4cA:
undetectable		 5ef2A-5w4cA:
undetectable
5ef2B-5w4cA:
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.
5x5t ALPHA-KETOGLUTARIC
SEMIALDEHYDE
DEHYDROGENASE

(Azospirillum
brasilense) 		PF00171
(Aldedh) 		5 GLY A 387
GLY A 356
ALA A 345
THR A 369
ILE A 352
 None
 0.90A 5ef2A-5x5tA:
undetectable
5ef2B-5x5tA:
undetectable		 5ef2A-5x5tA:
10.44
5ef2B-5x5tA:
10.44
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.
5yap SCYLLO-INOSITOL
DEHYDROGENASE WITH
L-GLUCOSE
DEHYDROGENASE
ACTIVITY

(Paracoccus
laeviglucosivorans) 		no annotation 5 GLY A 248
THR A 246
GLY A 269
HIS A 158
ILE A 153
 None
 1.06A 5ef2A-5yapA:
undetectable
5ef2B-5yapA:
undetectable		 5ef2A-5yapA:
undetectable
5ef2B-5yapA:
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.
5ygr DIAMINOPROPIONATE
AMMONIA LYASE

(Salmonella
enterica) 		no annotation 5 GLY A 126
ALA A 133
THR A 122
THR A 124
ILE A 159
 PO4  A 504 (-4.5A)
None
None
PO4  A 504 (-3.6A)
None
 1.04A 5ef2A-5ygrA:
undetectable
5ef2B-5ygrA:
undetectable		 5ef2A-5ygrA:
undetectable
5ef2B-5ygrA:
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.
5zln TOLL-LIKE RECEPTOR 9

(Mus musculus) 		no annotation 5 SER A 149
GLY A 134
HIS A 152
THR A 153
ILE A 135
 None
 1.12A 5ef2A-5zlnA:
undetectable
5ef2B-5zlnA:
undetectable		 5ef2A-5zlnA:
undetectable
5ef2B-5zlnA:
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.
6bn2 ACETYL-COA
ACETYLTRANSFERASE

(Elizabethkingia
anophelis) 		no annotation 5 GLY A 351
SER A 355
GLY A  30
ALA A 255
ILE A  34
 None
 1.02A 5ef2A-6bn2A:
undetectable
5ef2B-6bn2A:
undetectable		 5ef2A-6bn2A:
undetectable
5ef2B-6bn2A:
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.
6fc0 EUKARYOTIC
TRANSLATION
INITIATION FACTOR
4E-LIKE PROTEIN

(Chaetomium
thermophilum) 		no annotation 5 GLY A 123
THR A 182
ALA A 239
HIS A 233
THR A 234
 None
 0.99A 5ef2A-6fc0A:
undetectable
5ef2B-6fc0A:
undetectable		 5ef2A-6fc0A:
undetectable
5ef2B-6fc0A:
undetectable