SIMILAR PATTERNS OF AMINO ACIDS FOR 4XT7_A_TOPA302_1

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.
1b1y PROTEIN
(BETA-AMYLASE)

(Hordeum vulgare) 		PF01373
(Glyco_hydro_14) 		5 ILE A  87
THR A 415
ASP A  51
GLU A 378
GLU A 184
 None
None
GLC  A 550 (-3.1A)
BGC  A 551 (-3.3A)
BGC  A 551 (-4.1A)
 1.42A 4xt7A-1b1yA:
undetectable		 4xt7A-1b1yA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bdg HEXOKINASE

(Schistosoma
mansoni) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 ILE A 229
GLY A 414
ASP A 209
GLU A 294
THR A 210
 GLC  A 501 (-4.1A)
SO4  A 502 ( 3.8A)
GLC  A 501 (-3.0A)
GLC  A 501 (-3.2A)
GLC  A 501 ( 4.3A)
 1.32A 4xt7A-1bdgA:
undetectable		 4xt7A-1bdgA:
23.54
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.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		5 ASN A 170
SER A 208
GLY A 210
PHE A 307
THR A 238
 None
 1.21A 4xt7A-1c2oA:
0.7		 4xt7A-1c2oA:
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.
1ded CYCLODEXTRIN
GLUCANOTRANSFERASE

(Bacillus sp.
1011) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 ILE A  83
THR A 141
SER A 142
GLY A 155
GLU A  81
 None
 1.37A 4xt7A-1dedA:
0.9		 4xt7A-1dedA:
18.64
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.
1i36 CONSERVED
HYPOTHETICAL PROTEIN
MTH1747

(Methanothermobacter
thermautotrophicus) 		PF03807
(F420_oxidored)
PF09130
(DUF1932) 		5 ILE A  90
THR A  65
GLY A  67
GLU A 225
THR A  94
 None
NAP  A1350 ( 4.4A)
None
None
None
 1.37A 4xt7A-1i36A:
undetectable		 4xt7A-1i36A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kcz BETA-METHYLASPARTASE

(Clostridium
tetanomorphum) 		PF05034
(MAAL_N)
PF07476
(MAAL_C) 		5 ASN A 339
ILE A 138
THR A 107
GLU A 114
THR A 135
 None
 1.31A 4xt7A-1kczA:
undetectable		 4xt7A-1kczA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s2n EXTRACELLULAR
SUBTILISIN-LIKE
SERINE PROTEINASE

(Vibrio sp.
PA-44) 		PF00082
(Peptidase_S8) 		5 ILE A 109
THR A 104
SER A 106
GLY A 107
ASP A 113
 None
 1.32A 4xt7A-1s2nA:
undetectable		 4xt7A-1s2nA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xhl SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY MEMBER
(5L265), PUTATIVE
TROPINONE
REDUCTASE-II

(Caenorhabditis
elegans) 		PF13561
(adh_short_C2) 		5 ILE A 222
THR A 261
SER A 260
GLY A 259
GLU A 220
 None
 1.48A 4xt7A-1xhlA:
1.8		 4xt7A-1xhlA:
21.63
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.
1y8a HYPOTHETICAL PROTEIN
AF1437

(Archaeoglobus
fulgidus) 		no annotation 5 ASN A 231
ILE A 209
SER A 210
GLY A  52
ASP A  38
 None
 1.21A 4xt7A-1y8aA:
1.1		 4xt7A-1y8aA:
24.49
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.
1yy3 S-ADENOSYLMETHIONINE
:TRNA
RIBOSYLTRANSFERASE-I
SOMERASE

(Bacillus
subtilis) 		PF02547
(Queuosine_synth) 		5 THR A 257
SER A 256
GLY A 253
GLU A 227
THR A  61
 None
 1.40A 4xt7A-1yy3A:
undetectable		 4xt7A-1yy3A:
21.25
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.
2bvt BETA-1,4-MANNANASE

(Cellulomonas
fimi) 		PF02156
(Glyco_hydro_26) 		5 THR A  49
GLY A  43
ASP A 326
PHE A 325
GLU A  78
 None
None
None
BMA  A 501 (-3.9A)
BMA  A 500 ( 3.5A)
 1.36A 4xt7A-2bvtA:
undetectable		 4xt7A-2bvtA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bws XAA-PRO
AMINOPEPTIDASE P

(Escherichia
coli) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 ILE A 272
GLY A 262
ASP A 408
GLU A 383
THR A 420
 None
None
None
MN  A1441 (-2.5A)
None
 1.37A 4xt7A-2bwsA:
undetectable		 4xt7A-2bwsA:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dr3 UPF0273 PROTEIN
PH0284

(Pyrococcus
horikoshii) 		PF06745
(ATPase) 		5 ASN A  69
ILE A  38
THR A 227
GLY A 230
THR A  37
 None
ADP  A3801 (-4.3A)
None
None
ADP  A3801 (-3.5A)
 1.41A 4xt7A-2dr3A:
undetectable		 4xt7A-2dr3A:
23.27
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 THR A 414
GLY A 415
ASP A  87
GLU A  69
THR A 325
 None
None
BOG  A2000 (-2.7A)
None
None
 1.46A 4xt7A-2g3nA:
undetectable		 4xt7A-2g3nA:
16.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gcu PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 3

(Arabidopsis
thaliana) 		PF00753
(Lactamase_B) 		5 THR A 203
SER A 202
ASP A 195
PHE A 199
GLU A 206
 None
EDO  A2003 ( 4.4A)
EDO  A2009 ( 3.6A)
EDO  A2003 (-3.8A)
EDO  A2003 (-2.8A)
 1.29A 4xt7A-2gcuA:
undetectable		 4xt7A-2gcuA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mx9 MINOR AMPULLATE
SPIDROIN

(Araneus
ventricosus) 		PF16763
(Spidroin_N) 		5 ASN A  67
ILE A   8
THR A  17
ASP A 109
PHE A 112
 None
 1.19A 4xt7A-2mx9A:
undetectable		 4xt7A-2mx9A:
20.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p4g HYPOTHETICAL PROTEIN

(Corynebacterium
diphtheriae) 		PF01872
(RibD_C) 		6 ILE A  40
SER A  53
GLY A  54
ASP A  61
GLU A  85
THR A 214
 EDO  A 278 ( 3.9A)
EDO  A 280 ( 3.1A)
None
EDO  A 278 (-3.2A)
EDO  A 284 ( 3.8A)
None
 0.94A 4xt7A-2p4gA:
27.2		 4xt7A-2p4gA:
31.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p4g HYPOTHETICAL PROTEIN

(Corynebacterium
diphtheriae) 		PF01872
(RibD_C) 		6 ILE A  40
SER A  53
GLY A  54
ASP A  61
GLU A 193
THR A 214
 EDO  A 278 ( 3.9A)
EDO  A 280 ( 3.1A)
None
EDO  A 278 (-3.2A)
None
None
 0.68A 4xt7A-2p4gA:
27.2		 4xt7A-2p4gA:
31.43
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.
2p8e PPM1B BETA ISOFORM
VARIANT 6

(Homo sapiens) 		PF00481
(PP2C) 		5 ASN A 148
SER A 199
GLU A 176
GLU A 225
THR A 133
 None
 1.35A 4xt7A-2p8eA:
undetectable		 4xt7A-2p8eA:
24.00
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.
2q7x UPF0052 PROTEIN
SP_1565

(Streptococcus
pneumoniae) 		PF01933
(UPF0052) 		5 ILE A  18
THR A  13
SER A  15
GLY A  14
ARG A 300
 None
 1.49A 4xt7A-2q7xA:
3.7		 4xt7A-2q7xA:
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.
2vrc TRIPHENYLMETHANE
REDUCTASE

(Citrobacter sp.
MY-5) 		PF05368
(NmrA) 		5 ILE A  73
THR A   9
GLY A  10
ARG A 175
THR A 105
 None
 1.47A 4xt7A-2vrcA:
undetectable		 4xt7A-2vrcA:
21.69
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.
2wdu GLUTATHIONE
TRANSFERASE SIGMA
CLASS

(Fasciola
hepatica) 		PF14497
(GST_C_3) 		5 ILE A 156
THR A 194
SER A 195
ASP A 160
THR A 157
 None
 1.42A 4xt7A-2wduA:
undetectable		 4xt7A-2wduA:
21.43
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.
2wwx DRRA

(Legionella
pneumophila) 		no annotation 5 SER B 399
GLY B 402
ASP B 457
PHE B 460
GLU B 361
 None
 1.43A 4xt7A-2wwxB:
undetectable		 4xt7A-2wwxB:
23.10
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.
2x3c TOXIC EXTRACELLULAR
ENDOPEPTIDASE

(Aeromonas
salmonicida) 		PF14521
(Aspzincin_M35) 		5 SER A  34
GLY A  33
ASP A  37
ARG A  39
THR A 184
 None
SO4  A1345 (-3.0A)
SO4  A1345 ( 4.3A)
SO4  A1344 ( 3.2A)
None
 1.13A 4xt7A-2x3cA:
undetectable		 4xt7A-2x3cA:
22.97
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.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 ILE A  83
THR A 142
SER A 143
GLY A 156
GLU A  81
 None
 1.49A 4xt7A-3bmwA:
undetectable		 4xt7A-3bmwA:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g27 82 PROPHAGE-DERIVED
UNCHARACTERIZED
PROTEIN YBCO

(Escherichia
coli) 		PF07102
(DUF1364) 		5 ILE A  52
THR A  27
SER A  28
GLU A  12
THR A  84
 None
 1.50A 4xt7A-3g27A:
undetectable		 4xt7A-3g27A:
18.22
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.
3gdi PERIOD CIRCADIAN
PROTEIN HOMOLOG 2

(Mus musculus) 		PF08447
(PAS_3) 		5 ASN A 402
SER A 317
GLY A 318
GLU A 320
THR A 400
 None
 1.33A 4xt7A-3gdiA:
undetectable		 4xt7A-3gdiA:
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.
3h1v GLUCOKINASE

(Homo sapiens) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 ILE X 225
GLY X 410
ASP X 205
GLU X 290
THR X 206
 GLC  X 500 ( 4.1A)
None
GLC  X 500 (-2.9A)
GLC  X 500 (-3.1A)
GLC  X 500 ( 4.2A)
 1.46A 4xt7A-3h1vX:
undetectable		 4xt7A-3h1vX:
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.
3htx HEN1

(Arabidopsis
thaliana) 		PF13847
(Methyltransf_31) 		5 SER A 726
GLY A 725
ASP A 719
GLU A 796
THR A 793
 SAH  A 951 (-3.1A)
None
None
MG  A 950 ( 3.0A)
None
 1.28A 4xt7A-3htxA:
2.1		 4xt7A-3htxA:
14.95
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.
3in1 UNCHARACTERIZED
SUGAR KINASE YDJH

(Escherichia
coli) 		PF00294
(PfkB) 		5 ILE A  51
SER A 264
GLY A 265
ARG A 303
THR A  58
 None
 1.46A 4xt7A-3in1A:
3.0		 4xt7A-3in1A:
23.10
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.
3iq0 PUTATIVE RIBOKINASE
II

(Escherichia
coli) 		PF00294
(PfkB) 		5 ILE A  40
SER A  35
GLY A  36
ASP A 258
GLU A  13
 None
 1.30A 4xt7A-3iq0A:
2.9		 4xt7A-3iq0A:
21.22
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.
3iz3 STRUCTURAL PROTEIN
VP1

(Cypovirus 1) 		no annotation 5 THR B 371
GLY B 395
ASP B 335
ARG B 338
THR B 342
 None
 1.40A 4xt7A-3iz3B:
undetectable		 4xt7A-3iz3B:
11.90
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.
3j4p CAPSID PROTEIN VP1

(Adeno-associated
virus) 		PF00740
(Parvo_coat) 		5 ILE A 260
THR A 279
SER A 278
GLY A 378
THR A 264
 None
 1.17A 4xt7A-3j4pA:
undetectable		 4xt7A-3j4pA:
19.01
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.
3k5p D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Brucella
abortus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ILE A 294
SER A 297
GLY A 296
ASP A 265
THR A 291
 None
 0.93A 4xt7A-3k5pA:
2.7		 4xt7A-3k5pA:
22.75
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.
3kb3 PROTEIN PHOSPHATASE
2C 16

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 ASN B 343
SER B 397
GLU B 371
GLU B 414
THR B 328
 None
None
None
None
MG  B 999 ( 4.0A)
 1.20A 4xt7A-3kb3B:
undetectable		 4xt7A-3kb3B:
24.32
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.
3kd4 PUTATIVE PROTEASE

(Parabacteroides
distasonis) 		PF12969
(DUF3857)
PF12970
(DUF3858) 		5 ASN A 316
THR A 382
SER A 378
GLY A 381
ASP A 240
 None
 1.49A 4xt7A-3kd4A:
undetectable		 4xt7A-3kd4A:
20.55
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.
3l7y PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.1108C

(Streptococcus
mutans) 		PF08282
(Hydrolase_3) 		5 ASN A  46
SER A 181
GLY A 182
ASP A  11
PHE A 130
 None
 1.47A 4xt7A-3l7yA:
2.0		 4xt7A-3l7yA:
22.73
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.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 ILE A 165
SER A 159
GLY A 161
ARG A 163
GLU A 203
 None
 1.45A 4xt7A-3la4A:
undetectable		 4xt7A-3la4A:
16.69
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.
3mtl CELL DIVISION
PROTEIN KINASE 16

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 332
THR A 337
SER A 336
GLY A 335
GLU A 430
 None
 1.26A 4xt7A-3mtlA:
undetectable		 4xt7A-3mtlA:
19.12
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.
3mzn GLUCARATE
DEHYDRATASE

(Chromohalobacter
salexigens) 		PF13378
(MR_MLE_C) 		5 ASN A 285
THR A 270
GLY A 267
ARG A  96
THR A 289
 None
 1.25A 4xt7A-3mznA:
undetectable		 4xt7A-3mznA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n6o GUANINE NUCLEOTIDE
EXCHANGE FACTOR

(Legionella
pneumophila) 		PF14860
(DrrA_P4M) 		5 SER A 399
GLY A 402
ASP A 457
PHE A 460
GLU A 361
 None
 1.37A 4xt7A-3n6oA:
undetectable		 4xt7A-3n6oA:
19.88
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.
3prl NADP-DEPENDENT
GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Bacillus
halodurans) 		PF00171
(Aldedh) 		5 ILE A  43
SER A  42
GLY A  41
GLU A  22
THR A 216
 None
 1.37A 4xt7A-3prlA:
undetectable		 4xt7A-3prlA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q8x ANTIDOTE OF
EPSILON-ZETA
POSTSEGREGATIONAL
KILLING SYSTEM
ZETA-TOXIN

(Streptococcus
pyogenes) 		PF06414
(Zeta_toxin)
PF08998
(Epsilon_antitox) 		5 THR B 118
GLY B 117
ASP B  65
GLU A  12
THR B  68
 None
None
None
SO4  B 602 (-3.2A)
None
 1.42A 4xt7A-3q8xB:
undetectable		 4xt7A-3q8xB:
23.41
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.
3rxz POLYSACCHARIDE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		PF01522
(Polysacc_deac_1) 		5 ILE A 273
THR A  76
GLY A 269
GLU A 100
GLU A 275
 None
 1.42A 4xt7A-3rxzA:
undetectable		 4xt7A-3rxzA:
24.77
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.
3suc PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		5 ILE A 570
THR A 588
SER A 573
GLY A 572
PHE A 569
 None
 1.39A 4xt7A-3sucA:
undetectable		 4xt7A-3sucA:
17.66
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.
3tmg GLYCINE BETAINE,
L-PROLINE ABC
TRANSPORTER,
GLYCINE/BETAINE/L-PR
OLINE-BINDING
PROTEIN (PROX)

(Borreliella
burgdorferi) 		PF04069
(OpuAC) 		5 ILE A  30
GLY A  77
PHE A  59
GLU A  57
THR A  42
 None
 1.27A 4xt7A-3tmgA:
undetectable		 4xt7A-3tmgA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ujk PROTEIN PHOSPHATASE
2C 77

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 ASN A 248
SER A 302
GLU A 276
GLU A 319
THR A 233
 None
None
None
None
MG  A 425 ( 4.5A)
 1.30A 4xt7A-3ujkA:
undetectable		 4xt7A-3ujkA:
21.79
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.
3voc BETA/ALPHA-AMYLASE

(Paenibacillus
polymyxa) 		PF01373
(Glyco_hydro_14) 		5 ILE A  77
THR A 385
ASP A  41
GLU A 359
GLU A 163
 None
 1.23A 4xt7A-3vocA:
undetectable		 4xt7A-3vocA:
20.37
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.
4atb INTERLEUKIN
ENHANCER-BINDING
FACTOR 2
INTERLEUKIN
ENHANCER-BINDING
FACTOR 3

(Mus musculus) 		PF07528
(DZF) 		5 ILE B 283
SER B 289
GLY B 288
ARG A 269
GLU A  38
 None
 1.33A 4xt7A-4atbB:
undetectable		 4xt7A-4atbB:
23.39
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.
4ay1 CHITINASE-3-LIKE
PROTEIN 2

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 ASN A  50
THR A 268
ARG A  40
PHE A  46
THR A 368
 None
 1.46A 4xt7A-4ay1A:
undetectable		 4xt7A-4ay1A:
20.32
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.
4bbw SIALIDASE
(NEURAMINIDASE)

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		5 THR A 386
SER A 380
GLY A 384
ASP A 278
THR A 354
 None
 1.35A 4xt7A-4bbwA:
undetectable		 4xt7A-4bbwA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4chl PERSULFIDE
DIOXYGENASE ETHE1,
MITOCHONDRIAL

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 ILE A 158
THR A 204
SER A 203
ASP A 196
GLU A 207
 None
 1.32A 4xt7A-4chlA:
undetectable		 4xt7A-4chlA:
24.10
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.
4efi 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
SYNTHASE

(Paraburkholderia
xenovorans) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ASN A 298
SER A  24
ARG A  61
GLU A 317
THR A 305
 None
 1.49A 4xt7A-4efiA:
undetectable		 4xt7A-4efiA:
22.25
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.
4exl PHOSPHATE-BINDING
PROTEIN PSTS 1

(Streptococcus
pneumoniae) 		PF12849
(PBP_like_2) 		5 ASN A 153
SER A 160
GLY A 159
ASP A 165
GLU A 179
 None
 1.14A 4xt7A-4exlA:
undetectable		 4xt7A-4exlA:
22.34
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.
4fqd NIKO PROTEIN

(Streptomyces
tendae) 		PF00275
(EPSP_synthase) 		5 THR A  30
SER A  31
GLY A  32
GLU A 267
THR A  62
 None
 1.33A 4xt7A-4fqdA:
undetectable		 4xt7A-4fqdA:
23.41
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.
4ict CYTOCHROME P450 121

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 ILE A 236
THR A 243
SER A 240
GLY A 239
PHE A 161
 None
None
None
None
SO4  A 404 (-4.5A)
 1.45A 4xt7A-4ictA:
undetectable		 4xt7A-4ictA:
21.87
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.
4mae METHANOL
DEHYDROGENASE

(Methylacidiphilum
fumariolicum) 		PF13360
(PQQ_2) 		5 ASN A 109
ILE A 153
THR A 237
GLY A 167
THR A 123
 None
 1.13A 4xt7A-4maeA:
undetectable		 4xt7A-4maeA:
19.55
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.
4oko RAPID ENCYSTMENT
PHENOTYPE PROTEIN 34
KDA

(Francisella
tularensis) 		PF00246
(Peptidase_M14) 		5 THR A  90
SER A  91
GLY A  92
GLU A 172
GLU A 272
 None
None
None
None
ACT  A 402 (-3.4A)
 1.45A 4xt7A-4okoA:
undetectable		 4xt7A-4okoA:
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 ILE A 364
THR A 114
GLY A  63
ASP A 342
GLU A 366
 None
 1.22A 4xt7A-4om9A:
undetectable		 4xt7A-4om9A:
13.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pv4 PROLINE
AMINOPEPTIDASE P II

(Yersinia pestis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 ILE A 270
GLY A 260
ASP A 407
GLU A 382
THR A 419
 None
None
None
MG  A 502 ( 2.6A)
None
 1.39A 4xt7A-4pv4A:
undetectable		 4xt7A-4pv4A:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q6k BNR/ASP-BOX REPEAT
PROTEIN

(Bacteroides
caccae) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		5 THR A 402
SER A 396
GLY A 400
ASP A 294
THR A 370
 EDO  A 605 (-4.2A)
EDO  A 605 (-3.8A)
None
None
None
 1.32A 4xt7A-4q6kA:
undetectable		 4xt7A-4q6kA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qrm FLAGELLAR MOTOR
SWITCH PROTEIN FLIM

(Thermotoga
maritima) 		PF02154
(FliM) 		5 ILE A 188
THR A 106
SER A 113
GLY A 112
GLU A 177
 None
 0.94A 4xt7A-4qrmA:
undetectable		 4xt7A-4qrmA:
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.
4r0c ABGT PUTATIVE
TRANSPORTER FAMILY

(Alcanivorax
borkumensis) 		PF03806
(ABG_transport) 		5 ASN A 433
SER A 397
ASP A 429
ARG A 426
PHE A 170
 NA  A 801 (-2.6A)
None
NA  A 801 (-3.1A)
None
None
 1.43A 4xt7A-4r0cA:
undetectable		 4xt7A-4r0cA:
23.17
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.
4xri PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 ASN A 195
ILE A 240
THR A 203
GLY A 243
GLU A 196
 None
 1.37A 4xt7A-4xriA:
undetectable		 4xt7A-4xriA:
15.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xt8 RV2671

(Mycobacterium
tuberculosis) 		PF01872
(RibD_C) 		11 ASN A  44
ILE A  46
THR A  58
SER A  59
GLY A  60
ASP A  67
ARG A  68
PHE A  71
GLU A  91
GLU A 193
THR A 214
 TMQ  A 302 (-2.9A)
TMQ  A 302 ( 3.5A)
NAP  A 301 (-4.6A)
TMQ  A 302 ( 3.0A)
TMQ  A 302 ( 3.9A)
TMQ  A 302 (-2.7A)
None
TMQ  A 302 (-3.6A)
TMQ  A 302 ( 3.2A)
None
TMQ  A 302 (-4.0A)
 0.45A 4xt7A-4xt8A:
44.0		 4xt7A-4xt8A:
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.
4yf2 SPERM ACROSOME
MEMBRANE-ASSOCIATED
PROTEIN 3

(Mus musculus) 		PF00062
(Lys) 		5 ASN A  53
SER A  50
GLY A  49
GLU A  46
THR A  66
 None
 1.40A 4xt7A-4yf2A:
undetectable		 4xt7A-4yf2A:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yyc PUTATIVE
TRIMETHYLAMINE
METHYLTRANSFERASE

(Sinorhizobium
meliloti) 		PF06253
(MTTB) 		5 THR A 376
GLY A 356
ARG A 354
PHE A 353
THR A 134
 None
None
UNL  A 601 ( 3.0A)
None
None
 1.24A 4xt7A-4yycA:
undetectable		 4xt7A-4yycA:
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.
4zxz LEVOGLUCOSAN KINASE

(Lipomyces
starkeyi) 		PF03702
(AnmK) 		5 ILE A 190
THR A 217
GLY A 216
ASP A 212
GLU A 362
 None
 1.37A 4xt7A-4zxzA:
undetectable		 4xt7A-4zxzA:
22.10
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.
5by7 3-OXOACYL-ACP
SYNTHASE III

(Verrucosispora
maris) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 SER A 102
GLY A 106
ASP A 132
GLU A 308
THR A  74
 None
 1.39A 4xt7A-5by7A:
undetectable		 4xt7A-5by7A:
24.12
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.
5crj TRANSCRIPTION
TERMINATION FACTOR
1, MITOCHONDRIAL

(Homo sapiens) 		PF02536
(mTERF) 		5 ILE O 342
THR O 306
GLY O 304
GLU O 309
GLU O 347
 None
 1.34A 4xt7A-5crjO:
undetectable		 4xt7A-5crjO:
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.
5d86 PROBABLE SIDEROPHORE
BIOSYNTHESIS PROTEIN
SBNA

(Staphylococcus
aureus) 		PF00291
(PALP) 		5 ILE A 101
THR A  74
SER A  75
GLY A  76
ARG A 303
 None
 1.35A 4xt7A-5d86A:
2.2		 4xt7A-5d86A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gwo PROBABLE PROTEIN
PHOSPHATASE 2C 50

(Oryza sativa) 		PF00481
(PP2C) 		5 ASN A 217
SER A 271
GLU A 245
GLU A 288
THR A 202
 None
 1.28A 4xt7A-5gwoA:
undetectable		 4xt7A-5gwoA:
25.66
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.
5ht0 AMINOGLYCOSIDE
ACETYLTRANSFERASE
HMB0005

(uncultured
bacterium) 		PF02522
(Antibiotic_NAT) 		5 ILE A 234
SER A 239
GLY A 232
ASP A  14
GLU A 236
 None
 1.23A 4xt7A-5ht0A:
1.9		 4xt7A-5ht0A:
24.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ivl DEAD-BOX
ATP-DEPENDENT RNA
HELICASE CSHA

(Geobacillus
stearothermophilus) 		no annotation 5 ILE B  28
THR B  48
GLY B  51
PHE B  56
THR B  32
 None
SO4  B 502 (-3.5A)
SO4  B 502 (-3.4A)
None
None
 1.46A 4xt7A-5ivlB:
1.6		 4xt7A-5ivlB:
22.90
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.
5j7x DIMETHYLANILINE
MONOOXYGENASE,
PUTATIVE

(Aspergillus
flavus) 		PF00743
(FMO-like) 		5 THR A 369
GLY A 370
PHE A 210
GLU A 380
GLU A 208
 None
 1.32A 4xt7A-5j7xA:
undetectable		 4xt7A-5j7xA:
19.60
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.
5kzm TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Francisella
tularensis) 		PF00290
(Trp_syntA) 		5 ASN A  69
ILE A  65
THR A 238
GLY A 235
ASP A  61
 None
 1.25A 4xt7A-5kzmA:
undetectable		 4xt7A-5kzmA:
21.81
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.
5lc2 PROTEIN FAM3C

(Homo sapiens) 		PF15711
(ILEI) 		5 ILE A 165
THR A 171
SER A 170
GLY A 169
GLU A 197
 None
 1.24A 4xt7A-5lc2A:
undetectable		 4xt7A-5lc2A:
24.51
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.
5t3a INTEGRASE

(Visna-maedi
virus) 		PF00665
(rve) 		5 ILE A 200
SER A  83
GLY A  84
ARG A 189
GLU A  80
 None
 1.45A 4xt7A-5t3aA:
undetectable		 4xt7A-5t3aA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tf0 GLYCOSYL HYDROLASE
FAMILY 3 N-TERMINAL
DOMAIN PROTEIN

(Bacteroides
intestinalis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ASN A 239
ILE A 706
SER A 705
GLY A 704
GLU A 750
 None
None
None
MG  A 800 ( 4.1A)
None
 1.42A 4xt7A-5tf0A:
undetectable		 4xt7A-5tf0A:
15.87
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.
5wqs BETA-AMYLASE

(Ipomoea batatas) 		no annotation 5 ILE A  90
THR A 419
ASP A  54
GLU A 382
GLU A 187
 None
 1.28A 4xt7A-5wqsA:
undetectable		 4xt7A-5wqsA:
12.84
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.
5wze AMINOPEPTIDASE P

(Pseudomonas
aeruginosa) 		no annotation 5 ILE A 272
GLY A 262
ASP A 410
GLU A 384
THR A 422
 None
None
None
MN  A 508 ( 2.3A)
None
 1.35A 4xt7A-5wzeA:
undetectable		 4xt7A-5wzeA:
15.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xsy VOLTAGE-GATED SODIUM
CHANNEL BETA SUBUNIT
1

(Electrophorus
electricus) 		no annotation 5 GLY B  51
ASP B 103
ARG B 128
GLU B  52
THR B 101
 None
 1.48A 4xt7A-5xsyB:
undetectable		 4xt7A-5xsyB:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6at7 PHENYLALANINE
AMMONIA-LYASE

(Sorghum bicolor) 		no annotation 5 ASN A 465
ILE A 463
THR A 188
GLY A 481
ASP A 397
 None
None
MDO  A 190 ( 4.4A)
None
None
 1.37A 4xt7A-6at7A:
undetectable		 4xt7A-6at7A:
17.83
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.
6at7 PHENYLALANINE
AMMONIA-LYASE

(Sorghum bicolor) 		no annotation 5 THR A 390
SER A 479
GLY A 389
ASP A 192
THR A 186
 None
MDO  A 190 ( 4.8A)
MDO  A 190 ( 4.9A)
MDO  A 190 ( 4.4A)
MDO  A 190 ( 4.9A)
 1.33A 4xt7A-6at7A:
undetectable		 4xt7A-6at7A:
17.83
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT F

(Flavobacterium
johnsoniae) 		no annotation 5 ILE F 149
THR F 292
SER F 293
GLY F 290
THR F 150
 None
 1.49A 4xt7A-6btmF:
undetectable		 4xt7A-6btmF:
16.14
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.
6dgi D-ALANINE--D-ALANINE
LIGASE

(Vibrio cholerae) 		no annotation 5 ASN A 293
THR A 119
SER A 120
GLU A 294
THR A 132
 None
None
None
ACT  A 402 ( 4.0A)
None
 1.35A 4xt7A-6dgiA:
undetectable		 4xt7A-6dgiA:
13.93
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.
6eu6 AMMONIUM TRANSPORTER

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 5 ILE A 257
THR A 271
SER A 268
GLY A 267
GLU A 307
 None
 1.19A 4xt7A-6eu6A:
undetectable		 4xt7A-6eu6A:
16.53