SIMILAR PATTERNS OF AMINO ACIDS FOR 4QTU_B_SAMB301_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.
1ap8 TRANSLATION
INITIATION FACTOR
EIF4E

(Saccharomyces
cerevisiae) 		PF01652
(IF4E) 		4 GLN A 118
SER A 116
ASP A  92
ASP A  53
 None
None
M7G  A 214 (-3.6A)
M7G  A 214 ( 4.9A)
 1.33A 4qtuB-1ap8A:
undetectable		 4qtuB-1ap8A:
21.37
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.
1e5d RUBREDOXIN:OXYGEN
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		4 TYR A  26
SER A  20
ASP A  83
ASP A  49
 None
None
FEO  A 404 (-2.2A)
None
 1.24A 4qtuB-1e5dA:
2.2		 4qtuB-1e5dA:
17.98
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.
1fc4 2-AMINO-3-KETOBUTYRA
TE CONENZYME A
LIGASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		4 TYR A  52
GLN A 370
SER A 185
ASP A 113
 None
None
AKB  A1200 ( 2.9A)
None
 1.17A 4qtuB-1fc4A:
2.6		 4qtuB-1fc4A:
18.32
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.
1hg8 ENDOPOLYGALACTURONAS
E

(Fusarium
verticillioides) 		PF00295
(Glyco_hydro_28) 		4 TYR A 294
GLN A 334
SER A 363
ASP A 301
 None
 1.19A 4qtuB-1hg8A:
undetectable		 4qtuB-1hg8A:
18.93
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.
1krm ADENOSINE DEAMINASE

(Bos taurus) 		PF00962
(A_deaminase) 		4 TYR A 237
SER A 288
ASP A 292
ASP A  16
 None
None
PRH  A 401 ( 2.5A)
PRH  A 401 (-3.4A)
 1.16A 4qtuB-1krmA:
undetectable		 4qtuB-1krmA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lsh LIPOVITELLIN (LV-1N,
LV-1C)

(Ichthyomyzon
unicuspis) 		PF01347
(Vitellogenin_N)
PF09172
(DUF1943) 		4 TYR A  28
GLN A 254
SER A 252
ASP A 878
 UPL  A2014 (-4.6A)
None
None
UPL  A2014 (-4.2A)
 1.00A 4qtuB-1lshA:
undetectable		 4qtuB-1lshA:
12.74
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.
1m1c MAJOR COAT PROTEIN

(Saccharomyces
cerevisiae
virus L-A) 		PF09220
(LA-virus_coat) 		4 GLN A 235
SER A 219
ASP A 252
ASP A 258
 None
 1.48A 4qtuB-1m1cA:
undetectable		 4qtuB-1m1cA:
16.20
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.
1q2e EXOCELLOBIOHYDROLASE
I

(Trichoderma
reesei) 		PF00840
(Glyco_hydro_7) 		4 TYR A 171
SER A 365
ASP A 214
ASP A 262
 None
None
GLC  A 904 (-3.9A)
GLC  A 903 ( 4.0A)
 1.02A 4qtuB-1q2eA:
undetectable		 4qtuB-1q2eA:
18.54
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.
1q9h CELLOBIOHYDROLASE I
CATALYTIC DOMAIN

(Rasamsonia
emersonii) 		PF00840
(Glyco_hydro_7) 		4 TYR A 168
SER A 369
ASP A 211
ASP A 259
 None
 1.25A 4qtuB-1q9hA:
undetectable		 4qtuB-1q9hA:
18.55
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.
1qcx PECTIN LYASE B

(Aspergillus
niger) 		PF00544
(Pec_lyase_C) 		4 GLN A  71
SER A 203
ASP A 257
ASP A 278
 None
 1.15A 4qtuB-1qcxA:
undetectable		 4qtuB-1qcxA:
19.39
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.
1vel STARVATION-INDUCED
DNA PROTECTING
PROTEIN

(Mycolicibacterium
smegmatis) 		PF00210
(Ferritin) 		4 TYR A 113
GLN A  57
ASP A  30
ASP A  89
 None
 1.28A 4qtuB-1velA:
undetectable		 4qtuB-1velA:
21.10
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.
1xkp PUTATIVE
MEMBRANE-BOUND YOP
TARGETING PROTEIN
YOPN

(Yersinia pestis) 		PF07201
(HrpJ) 		4 GLN A 135
SER A 133
ASP A 200
ASP A 218
 None
None
None
MLY  A 221 ( 4.6A)
 1.35A 4qtuB-1xkpA:
undetectable		 4qtuB-1xkpA:
22.49
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.
1xl3 SECRETION CONTROL
PROTEIN

(Yersinia pestis) 		PF07201
(HrpJ) 		4 GLN A 135
SER A 133
ASP A 200
ASP A 218
 None
None
None
MLY  A 221 ( 3.6A)
 1.27A 4qtuB-1xl3A:
undetectable		 4qtuB-1xl3A:
22.55
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.
1z3v CELLULASE

(Phanerochaete
chrysosporium) 		PF00840
(Glyco_hydro_7) 		4 TYR A 168
SER A 362
ASP A 209
ASP A 251
 None
None
None
LAT  A 500 ( 3.8A)
 1.23A 4qtuB-1z3vA:
undetectable		 4qtuB-1z3vA:
19.17
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.
2aey FRUCTAN
1-EXOHYDROLASE IIA

(Cichorium
intybus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 TYR A  11
GLN A 364
SER A 363
ASP A 297
 None
 1.49A 4qtuB-2aeyA:
undetectable		 4qtuB-2aeyA:
16.97
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.
2d52 PENTAKETIDE CHROMONE
SYNTHASE

(Aloe
arborescens) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 TYR A 178
GLN A 175
SER A 145
ASP A 220
 None
None
None
COA  A 500 (-4.9A)
 1.10A 4qtuB-2d52A:
undetectable		 4qtuB-2d52A:
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.
2rfz CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Melanocarpus
albomyces) 		PF00840
(Glyco_hydro_7) 		4 TYR A 171
SER A 364
ASP A 214
ASP A 262
 None
None
CTR  A 431 (-4.2A)
CTR  A 431 ( 4.5A)
 1.18A 4qtuB-2rfzA:
undetectable		 4qtuB-2rfzA:
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.
2xj6 ASCORBATE PEROXIDASE

(Glycine max) 		PF00141
(peroxidase) 		4 TYR A   5
GLN A 240
SER A 243
ASP A  95
 None
 1.35A 4qtuB-2xj6A:
undetectable		 4qtuB-2xj6A:
21.17
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.
2yg1 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Heterobasidion
annosum) 		PF00840
(Glyco_hydro_7) 		4 TYR A 173
SER A 373
ASP A 216
ASP A 262
 None
 1.03A 4qtuB-2yg1A:
undetectable		 4qtuB-2yg1A:
17.73
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.
2yok EXOGLUCANASE 1

(Trichoderma
harzianum) 		PF00840
(Glyco_hydro_7) 		4 TYR A 184
SER A 378
ASP A 227
ASP A 275
 None
 1.05A 4qtuB-2yokA:
undetectable		 4qtuB-2yokA:
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.
3aqu AT4G19810

(Arabidopsis
thaliana) 		PF00704
(Glyco_hydro_18) 		4 GLN A 340
SER A 339
ASP A  21
ASP A  19
 None
 1.45A 4qtuB-3aquA:
undetectable		 4qtuB-3aquA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b6u KINESIN-LIKE PROTEIN
KIF3B

(Homo sapiens) 		PF00225
(Kinesin) 		4 TYR A 138
GLN A 136
ASP A  82
ASP A  74
 None
 1.40A 4qtuB-3b6uA:
undetectable		 4qtuB-3b6uA:
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 TYR B 338
GLN B 449
ASP B 334
ASP B 175
 None
 1.43A 4qtuB-3hkzB:
undetectable		 4qtuB-3hkzB:
11.74
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.
3ihv SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 GLN A 351
SER A 358
ASP A 375
ASP A 377
 None
None
EDO  A   9 ( 4.8A)
None
 1.25A 4qtuB-3ihvA:
undetectable		 4qtuB-3ihvA:
17.62
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.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		4 TYR W 177
GLN W  60
ASP W 268
ASP W 286
 None
 1.35A 4qtuB-3iylW:
11.9		 4qtuB-3iylW:
9.08
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.
3lcp MULTIPLE COAGULATION
FACTOR DEFICIENCY
PROTEIN 2

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 TYR C  82
SER C  94
ASP C  89
ASP C 133
 None
None
None
CA  C 159 (-2.9A)
 1.44A 4qtuB-3lcpC:
undetectable		 4qtuB-3lcpC:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3loy COPPER AMINE OXIDASE

(Ogataea angusta) 		PF01179
(Cu_amine_oxid) 		4 TYR A  66
GLN A  34
ASP A  39
ASP A 445
 GOL  A 636 (-4.2A)
None
None
None
 1.50A 4qtuB-3loyA:
undetectable		 4qtuB-3loyA:
15.44
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.
3mzn GLUCARATE
DEHYDRATASE

(Chromohalobacter
salexigens) 		PF13378
(MR_MLE_C) 		4 GLN A 416
SER A  53
ASP A 100
ASP A 290
 None
 1.38A 4qtuB-3mznA:
undetectable		 4qtuB-3mznA:
19.50
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.
3stb SINGLE DOMAIN
ANTIBODY VHH
RNA-EDITING COMPLEX
PROTEIN MP42
MP18 RNA EDITING
COMPLEX PROTEIN

(Lama glama;
Trypanosoma
brucei;
Trypanosoma
brucei) 		PF07686
(V-set)
no annotation
PF00436
(SSB) 		4 TYR D 117
GLN D 119
SER C 324
ASP A 116
 None
 1.47A 4qtuB-3stbD:
undetectable		 4qtuB-3stbD:
17.56
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.
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima) 		PF13458
(Peripla_BP_6) 		4 TYR A 217
GLN A 164
ASP A 136
ASP A 343
 PHE  A 400 (-4.8A)
None
None
None
 1.08A 4qtuB-3td9A:
3.1		 4qtuB-3td9A:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 TYR A 328
GLN A 563
ASP A 513
ASP A 344
 None
None
UMP  A 611 (-4.9A)
None
 1.45A 4qtuB-3um6A:
undetectable		 4qtuB-3um6A:
15.26
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.
3vnk XYLOSE ISOMERASE
DOMAIN PROTEIN TIM
BARREL

([Clostridium]
cellulolyticum) 		PF01261
(AP_endonuc_2) 		4 TYR A  89
GLN A  72
SER A  38
ASP A 183
 None
None
None
MN  A 302 ( 3.2A)
 1.42A 4qtuB-3vnkA:
undetectable		 4qtuB-3vnkA:
19.93
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.
3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE

(Citrus x
microcarpa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 TYR A 165
GLN A 162
SER A 132
ASP A 207
 TYR  A 165 ( 1.3A)
GLN  A 162 ( 0.6A)
SER  A 132 ( 0.0A)
ASP  A 207 ( 0.6A)
 1.06A 4qtuB-3wd7A:
undetectable		 4qtuB-3wd7A:
19.32
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.
3wj2 CARBOXYLESTERASE

(Ferroplasma
acidiphilum) 		PF07859
(Abhydrolase_3) 		4 TYR A 115
SER A 112
ASP A 155
ASP A 286
 None
 1.47A 4qtuB-3wj2A:
3.0		 4qtuB-3wj2A:
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.
3wxw ADIPONECTIN RECEPTOR
PROTEIN 2

(Homo sapiens) 		PF03006
(HlyIII) 		4 TYR A 220
SER A 212
ASP A 117
ASP A 119
 None
 1.32A 4qtuB-3wxwA:
undetectable		 4qtuB-3wxwA:
20.54
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.
3x0y DSZC

(Rhodococcus
erythropolis) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		4 TYR A  96
SER A 132
ASP A 392
ASP A 400
 FMN  A 500 (-3.4A)
FMN  A 500 (-2.6A)
None
None
 1.20A 4qtuB-3x0yA:
undetectable		 4qtuB-3x0yA:
18.85
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.
3zz1 BETA-D-GLUCOSIDE
GLUCOHYDROLASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 TYR A 636
GLN A 634
ASP A 558
ASP A 538
 None
 1.34A 4qtuB-3zz1A:
undetectable		 4qtuB-3zz1A:
14.17
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.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 GLN A 236
SER A 153
ASP A 195
ASP A 120
 None
 1.24A 4qtuB-4c30A:
4.1		 4qtuB-4c30A:
14.01
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.
4csi CELLULASE

(Humicola grisea) 		PF00840
(Glyco_hydro_7) 		4 TYR A 172
SER A 370
ASP A 215
ASP A 263
 None
PEG  A1439 ( 4.8A)
PEG  A1439 ( 3.9A)
None
 1.03A 4qtuB-4csiA:
undetectable		 4qtuB-4csiA:
18.61
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.
4e6z APICOPLAST TIC22,
PUTATIVE

(Plasmodium
falciparum) 		PF04278
(Tic22) 		4 GLN A 262
SER A 263
ASP A 108
ASP A 115
 None
 1.41A 4qtuB-4e6zA:
undetectable		 4qtuB-4e6zA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4egv ACETYL-COA
ACETYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		no annotation 4 TYR A 407
GLN A 106
SER A 371
ASP A 350
 None
 1.37A 4qtuB-4egvA:
undetectable		 4qtuB-4egvA:
16.54
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.
4f6o METACASPASE-1

(Saccharomyces
cerevisiae) 		PF00656
(Peptidase_C14) 		4 GLN A 417
SER A 360
ASP A 237
ASP A 253
 None
 1.21A 4qtuB-4f6oA:
2.6		 4qtuB-4f6oA:
21.28
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.
4gni PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		4 TYR A 229
SER A 203
ASP A 195
ASP A  33
 None
 1.46A 4qtuB-4gniA:
undetectable		 4qtuB-4gniA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4haq GH7 FAMILY PROTEIN

(Limnoria
quadripunctata) 		PF00840
(Glyco_hydro_7) 		4 TYR A 192
SER A 390
ASP A 235
ASP A 282
 None
None
None
CBI  A 501 ( 3.8A)
 1.27A 4qtuB-4haqA:
undetectable		 4qtuB-4haqA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jkw BUTYROPHILIN
SUBFAMILY 3 MEMBER
A1

(Homo sapiens) 		PF07686
(V-set) 		4 GLN A  47
SER A  42
ASP A  93
ASP A  20
 None
 1.36A 4qtuB-4jkwA:
undetectable		 4qtuB-4jkwA:
22.60
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.
4kn5 METHYLTHIOADENOSINE
NUCLEOSIDASE

(Weissella
paramesenteroides) 		PF01048
(PNP_UDP_1) 		4 TYR A   3
GLN A 230
ASP A 122
ASP A  93
 None
 1.44A 4qtuB-4kn5A:
undetectable		 4qtuB-4kn5A:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n4r LPS-ASSEMBLY PROTEIN
LPTD

(Salmonella
enterica) 		PF04453
(OstA_C) 		4 TYR A 665
GLN A 536
SER A 537
ASP A 594
 None
 1.28A 4qtuB-4n4rA:
undetectable		 4qtuB-4n4rA:
14.07
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.
4nuz ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F2

(Streptococcus
pyogenes) 		no annotation 4 GLN A 256
SER A 254
ASP A 247
ASP A 243
 None
 1.31A 4qtuB-4nuzA:
undetectable		 4qtuB-4nuzA:
12.12
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.
4pws PROLINE-RICH 28 KDA
ANTIGEN

(Mycobacterium
tuberculosis) 		PF10738
(Lpp-LpqN) 		4 TYR A 218
SER A 246
ASP A 189
ASP A 108
 None
 1.22A 4qtuB-4pwsA:
undetectable		 4qtuB-4pwsA:
19.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qtu PUTATIVE
METHYLTRANSFERASE
BUD23

(Saccharomyces
cerevisiae) 		PF08241
(Methyltransf_11) 		5 TYR B  22
GLN B  32
SER B  61
ASP B  77
ASP B  99
 SAM  B 301 (-4.6A)
SAM  B 301 (-3.7A)
SAM  B 301 (-3.0A)
SAM  B 301 (-2.6A)
SAM  B 301 (-3.7A)
 0.02A 4qtuB-4qtuB:
39.9		 4qtuB-4qtuB:
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.
4v20 CELLOBIOHYDROLASE

(Aspergillus
fumigatus) 		PF00840
(Glyco_hydro_7) 		4 TYR A 171
SER A 372
ASP A 214
ASP A 262
 None
None
None
U63  A1443 ( 3.9A)
 1.06A 4qtuB-4v20A:
undetectable		 4qtuB-4v20A:
20.31
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.
4wpx CELL DIVISION
CONTROL PROTEIN
31-LIKE PROTEIN

(Chaetomium
thermophilum) 		PF00036
(EF-hand_1)
PF13499
(EF-hand_7) 		4 TYR A  17
GLN A  97
SER A  29
ASP A  22
 None
 0.96A 4qtuB-4wpxA:
undetectable		 4qtuB-4wpxA:
23.94
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.
4wz0 E3 UBIQUITIN-PROTEIN
LIGASE LUBX

(Legionella
pneumophila) 		PF04564
(U-box) 		4 TYR A  56
GLN A  73
SER A  74
ASP A  10
 None
 1.35A 4qtuB-4wz0A:
undetectable		 4qtuB-4wz0A:
22.56
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.
4xeb GLUCANASE

(Talaromyces
funiculosus) 		PF00840
(Glyco_hydro_7) 		4 TYR A 168
SER A 369
ASP A 211
ASP A 259
 None
CE6  A 505 (-2.7A)
K  A 506 ( 4.7A)
CL  A 510 (-3.4A)
 1.10A 4qtuB-4xebA:
undetectable		 4qtuB-4xebA:
18.04
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.
4yge MULTIPLE COAGULATION
FACTOR DEFICIENCY
PROTEIN 2

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 TYR B  82
SER B  94
ASP B  89
ASP B 133
 None
None
CA  B 502 ( 4.7A)
CA  B 501 (-2.7A)
 1.48A 4qtuB-4ygeB:
undetectable		 4qtuB-4ygeB:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zcf RESTRICTION
ENDONUCLEASE
ECOP15I,
MODIFICATION SUBUNIT

(Escherichia
coli) 		PF01555
(N6_N4_Mtase) 		4 GLN A 468
SER A 444
ASP A 123
ASP A 200
 None
 1.31A 4qtuB-4zcfA:
2.4		 4qtuB-4zcfA:
16.23
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.
4zzp CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Dictyostelium
purpureum) 		PF00840
(Glyco_hydro_7) 		4 TYR A 170
SER A 371
ASP A 213
ASP A 261
 None
 1.13A 4qtuB-4zzpA:
undetectable		 4qtuB-4zzpA:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zzq CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Dictyostelium
discoideum) 		PF00840
(Glyco_hydro_7) 		4 TYR A 170
SER A 371
ASP A 213
ASP A 261
 None
 1.14A 4qtuB-4zzqA:
undetectable		 4qtuB-4zzqA:
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.
5amp CELLOBIOHYDROLASE I

(Galactomyces
candidus) 		PF00840
(Glyco_hydro_7) 		4 TYR A 171
SER A 369
ASP A 214
ASP A 262
 None
 1.07A 4qtuB-5ampA:
undetectable		 4qtuB-5ampA:
17.95
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.
5awp ISOMALTODEXTRANASE

(Arthrobacter
globiformis) 		no annotation 4 TYR A  36
SER A 337
ASP A 312
ASP A 267
 None
None
BGC  A 701 ( 4.0A)
None
 1.49A 4qtuB-5awpA:
undetectable		 4qtuB-5awpA:
16.53
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.
5eaw DNA REPLICATION
ATP-DEPENDENT
HELICASE/NUCLEASE
DNA2

(Mus musculus) 		PF08696
(Dna2)
PF13086
(AAA_11)
PF13087
(AAA_12) 		4 GLN A 791
SER A 766
ASP A 763
ASP A 684
 None
 1.48A 4qtuB-5eawA:
3.2		 4qtuB-5eawA:
11.46
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.
5fic SPHINGOMYELIN
PHOSPHODIESTERASE

(Mus musculus) 		PF00149
(Metallophos) 		4 GLN A 130
SER A 131
ASP A 221
ASP A 216
 None
 1.35A 4qtuB-5ficA:
undetectable		 4qtuB-5ficA:
17.05
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.
5fn4 NICASTRIN

(Homo sapiens) 		PF05450
(Nicastrin) 		4 TYR A 453
GLN A 367
SER A 301
ASP A 283
 None
 1.44A 4qtuB-5fn4A:
undetectable		 4qtuB-5fn4A:
13.66
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.
5h0r VP4 PROTEIN

(Cypovirus 1) 		no annotation 4 TYR G 352
GLN G 494
SER G 383
ASP G 512
 None
 1.40A 4qtuB-5h0rG:
undetectable		 4qtuB-5h0rG:
16.40
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.
5h67 CHROMOSOME PARTITION
PROTEIN SMC

(Bacillus
subtilis) 		PF02463
(SMC_N) 		4 GLN A 143
SER A 142
ASP A  42
ASP A  63
 None
 1.14A 4qtuB-5h67A:
undetectable		 4qtuB-5h67A:
23.11
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.
5h71 ALGQ2

(Sphingomonas
sp.) 		PF01547
(SBP_bac_1) 		4 TYR A 129
GLN A 391
ASP A 206
ASP A 189
 BEM  A 502 ( 4.4A)
MAW  A 501 ( 3.7A)
None
None
 1.47A 4qtuB-5h71A:
undetectable		 4qtuB-5h71A:
15.37
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.
5ju6 BETA-GLUCOSIDASE

(Rasamsonia
emersonii) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 TYR A 779
GLN A 777
ASP A 628
ASP A 601
 None
 1.26A 4qtuB-5ju6A:
undetectable		 4qtuB-5ju6A:
11.66
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.
5ljo OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		4 TYR A 674
GLN A 540
ASP A 703
ASP A 797
 None
 1.26A 4qtuB-5ljoA:
undetectable		 4qtuB-5ljoA:
13.99
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.
5mch CELLOBIOHYDROLASE
CHBI

(Daphnia pulex) 		PF00840
(Glyco_hydro_7) 		4 TYR A 195
SER A 399
ASP A 238
ASP A 286
 None
None
GOL  A 501 (-2.9A)
None
 1.06A 4qtuB-5mchA:
undetectable		 4qtuB-5mchA:
17.73
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.
5mm2 CAPSID PROTEIN VP4C

(Nora virus) 		no annotation 4 GLN A  86
SER A  82
ASP A  65
ASP A 292
 None
 1.34A 4qtuB-5mm2A:
undetectable		 4qtuB-5mm2A:
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.
5ndl CRH-LIKE PROTEIN

(Aspergillus
fumigatus) 		no annotation 4 GLN A 261
SER A 262
ASP A 118
ASP A 141
 None
 1.26A 4qtuB-5ndlA:
undetectable		 4qtuB-5ndlA:
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.
5npy FLAGELLAR BASAL BODY
PROTEIN

(Helicobacter
pylori) 		no annotation 4 TYR A 403
GLN A 374
SER A 358
ASP A 210
 None
 1.23A 4qtuB-5npyA:
undetectable		 4qtuB-5npyA:
16.64
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.
5o5d GLUCANASE

(Trichoderma
atroviride) 		no annotation 4 TYR A 171
SER A 365
ASP A 214
ASP A 262
 None
BTB  A 604 ( 4.9A)
BTB  A 604 ( 3.4A)
GOL  A 608 (-4.6A)
 1.05A 4qtuB-5o5dA:
undetectable		 4qtuB-5o5dA:
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.
5vae ACCESSORY SEC SYSTEM
PROTEIN ASP1

(Streptococcus
gordonii) 		no annotation 4 GLN A  54
SER A   9
ASP A  33
ASP A 283
 None
 1.45A 4qtuB-5vaeA:
undetectable		 4qtuB-5vaeA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w11 GLUCANASE

(Thermothelomyces
thermophila) 		no annotation 4 TYR A 172
SER A 370
ASP A 215
ASP A 263
 None
None
None
CTR  A 506 ( 3.8A)
 1.11A 4qtuB-5w11A:
undetectable		 4qtuB-5w11A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w7d ACYLOXYACYL
HYDROLASE

(Mus musculus) 		no annotation 4 TYR A 415
GLN A 538
SER A 535
ASP A 332
 None
 1.47A 4qtuB-5w7dA:
2.1		 4qtuB-5w7dA:
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.
5x62 CARNOSINE
N-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF07942
(N2227) 		4 TYR A 371
GLN A 108
SER A 104
ASP A 313
 SAH  A 501 (-4.8A)
SAH  A 501 (-3.4A)
None
None
 1.38A 4qtuB-5x62A:
13.8		 4qtuB-5x62A:
20.25
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.
5zc3 -

(-) 		no annotation 4 TYR B 347
GLN B 351
SER B 317
ASP B 308
 None
 1.37A 4qtuB-5zc3B:
undetectable		 4qtuB-5zc3B:
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.
6b2y SOLUTE-BINDING
PERIPLASMIC PROTEIN
OF IRON/SIDEROPHORE
ABC TRANSPORTER

(Yersinia pestis) 		no annotation 4 TYR A 296
SER A 221
ASP A 125
ASP A   5
 None
 1.45A 4qtuB-6b2yA:
undetectable		 4qtuB-6b2yA:
20.60
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.
6bhu MULTIDRUG
RESISTANCE-ASSOCIATE
D PROTEIN 1

(Bos taurus) 		no annotation 4 GLN A 713
SER A1430
ASP A1460
ASP A1465
 MG  A1603 ( 2.3A)
ATP  A1601 (-2.9A)
None
None
 1.46A 4qtuB-6bhuA:
undetectable		 4qtuB-6bhuA:
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.
6d6v TELOMERASE REVERSE
TRANSCRIPTASE

(Tetrahymena
thermophila) 		no annotation 4 TYR A 373
GLN A 487
SER A 486
ASP A 421
 None
 1.26A 4qtuB-6d6vA:
undetectable		 4qtuB-6d6vA:
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.
6dft -

(-) 		no annotation 4 TYR A 391
GLN A  68
SER A  69
ASP A 422
 None
 1.47A 4qtuB-6dftA:
undetectable		 4qtuB-6dftA:
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.
6ei1 ZINC FINGER WITH
UFM1-SPECIFIC
PEPTIDASE DOMAIN
PROTEIN

(Homo sapiens) 		no annotation 4 TYR A 275
GLN A 279
ASP A 313
ASP A 347
 None
 1.26A 4qtuB-6ei1A:
undetectable		 4qtuB-6ei1A:
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.
6f5d ATP SYNTHASE SUBUNIT
BETA

(Trypanosoma
brucei) 		no annotation 4 GLN D 132
SER D 303
ASP D 136
ASP D 364
 None
 1.41A 4qtuB-6f5dD:
undetectable		 4qtuB-6f5dD:
undetectable