SIMILAR PATTERNS OF AMINO ACIDS FOR 5M50_E_TA1E502_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.
1c9k ADENOSYLCOBINAMIDE
KINASE

(Salmonella
enterica) 		PF02283
(CobU) 		5 VAL A 136
GLU A 135
LEU A  89
GLN A 116
LEU A 161
 None
 1.34A 5m50E-1c9kA:
3.1		 5m50E-1c9kA:
15.62
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.
1fkm PROTEIN (GYP1P)

(Saccharomyces
cerevisiae) 		PF00566
(RabGAP-TBC) 		5 VAL A 578
LEU A 383
HIS A 575
ARG A 499
LEU A 505
 None
 1.34A 5m50E-1fkmA:
undetectable		 5m50E-1fkmA:
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.
1foh PHENOL HYDROXYLASE

(Cutaneotrichosporon
cutaneum) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		5 GLU A 282
LEU A  20
ARG A 281
GLY A  55
LEU A  56
 None
None
None
IPH  A 802 ( 3.8A)
None
 1.28A 5m50E-1fohA:
undetectable		 5m50E-1fohA:
21.66
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.
1gz6 ESTRADIOL 17
BETA-DEHYDROGENASE 4

(Rattus
norvegicus) 		PF00106
(adh_short) 		5 VAL A  76
LEU A 103
SER A 127
GLY A  22
LEU A  21
 NAI  A1306 (-3.6A)
None
None
None
NAI  A1306 (-4.0A)
 1.23A 5m50E-1gz6A:
6.0		 5m50E-1gz6A:
21.57
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.
1hww ALPHA-MANNOSIDASE II

(Drosophila
melanogaster) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		5 ASP A 204
HIS A 470
THR A 480
GLY A 877
LEU A 878
 SWA  A1103 ( 3.0A)
None
None
None
None
 1.22A 5m50E-1hwwA:
undetectable		 5m50E-1hwwA:
18.14
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.
1hyq CELL DIVISION
INHIBITOR (MIND-1)

(Archaeoglobus
fulgidus) 		PF01656
(CbiA) 		5 ASP A 117
LEU A 188
THR A 148
ARG A 171
GLY A  12
 None
 1.30A 5m50E-1hyqA:
5.3		 5m50E-1hyqA:
20.46
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.
1lzx NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF02898
(NO_synthase) 		5 ASP A 597
GLU A 592
LEU A 522
GLY A 563
LEU A 564
 HAR  A 770 (-2.8A)
HAR  A 770 ( 2.9A)
None
None
None
 1.33A 5m50E-1lzxA:
undetectable		 5m50E-1lzxA:
20.79
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.
1nqz COA PYROPHOSPHATASE
(MUTT/NUDIX FAMILY
PROTEIN)

(Deinococcus
radiodurans) 		PF00293
(NUDIX) 		5 VAL A 184
ASP A 187
LEU A  73
THR A  78
GLY A 102
 None
 0.82A 5m50E-1nqzA:
undetectable		 5m50E-1nqzA:
18.26
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.
1oro OROTATE
PHOSPHORIBOSYLTRANSF
ERASE

(Escherichia
coli) 		PF00156
(Pribosyltran) 		5 HIS A  88
THR A  79
ARG A  44
GLY A  43
LEU A  46
 None
 1.14A 5m50E-1oroA:
2.1		 5m50E-1oroA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q1q SULFOTRANSFERASE
FAMILY, CYTOSOLIC,
2B, MEMBER 1 ISOFORM
A

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		5 VAL A  43
ASP A  42
SER A 123
THR A  52
ARG A 105
 None
 1.33A 5m50E-1q1qA:
undetectable		 5m50E-1q1qA:
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.
1q20 SULFOTRANSFERASE
FAMILY, CYTOSOLIC,
2B, MEMBER 1 ISOFORM
B

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		5 VAL A  58
ASP A  57
SER A 138
THR A  67
ARG A 120
 None
None
None
A3P  A 314 ( 4.9A)
None
 1.30A 5m50E-1q20A:
undetectable		 5m50E-1q20A:
20.27
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.
1qap QUINOLINIC ACID
PHOSPHORIBOSYLTRANSF
ERASE

(Salmonella
enterica) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 ASP A  95
LEU A  14
THR A 160
GLY A  69
LEU A 127
 None
 1.31A 5m50E-1qapA:
1.5		 5m50E-1qapA:
22.38
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.
1qp8 FORMATE
DEHYDROGENASE

(Pyrobaculum
aerophilum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 VAL A 236
ASP A 235
GLN A 273
ARG A  39
GLY A 264
 NDP  A 310 (-4.2A)
NDP  A 310 (-4.4A)
None
None
None
 1.34A 5m50E-1qp8A:
2.1		 5m50E-1qp8A:
20.09
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.
1rrc POLYNUCLEOTIDE
KINASE

(Escherichia
virus T4) 		PF13671
(AAA_33) 		5 VAL A 256
ASP A 255
GLU A 259
ARG A 288
LEU A 147
 None
CA  A 701 ( 4.1A)
None
CA  A 701 ( 4.4A)
None
 0.91A 5m50E-1rrcA:
3.6		 5m50E-1rrcA:
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.
1ueb ELONGATION FACTOR P

(Thermus
thermophilus) 		PF01132
(EFP)
PF08207
(EFP_N)
PF09285
(Elong-fact-P_C) 		5 VAL A 132
GLU A 169
THR A 143
GLY A 138
LEU A 163
 None
 1.26A 5m50E-1uebA:
undetectable		 5m50E-1uebA:
17.44
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.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1

(Thermus
thermophilus) 		PF02347
(GDC-P) 		5 ASP A 233
LEU A 183
ARG A  74
GLY A  70
LEU A 414
 None
 1.34A 5m50E-1wytA:
undetectable		 5m50E-1wytA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xrs D-LYSINE
5,6-AMINOMUTASE
ALPHA SUBUNIT
D-LYSINE
5,6-AMINOMUTASE BETA
SUBUNIT

(Acetoanaerobium
sticklandii) 		PF02310
(B12-binding)
PF09043
(Lys-AminoMut_A)
PF16554
(OAM_dimer) 		5 VAL B 135
ASP B 138
THR A  35
ARG A 184
GLY A 264
 B12  B 800 (-3.7A)
None
None
PLP  B 801 (-2.9A)
None
 1.24A 5m50E-1xrsB:
4.9		 5m50E-1xrsB:
20.79
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.
1yw1 PROTEIN YTNJ

(Bacillus
subtilis) 		PF00296
(Bac_luciferase) 		5 VAL A 214
ASP A 232
LEU A 189
ARG A 423
GLY A 210
 None
 1.24A 5m50E-1yw1A:
undetectable		 5m50E-1yw1A:
22.67
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.
2bq8 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5

(Homo sapiens) 		PF00149
(Metallophos) 		5 ASP X  50
LEU X 159
HIS X  92
GLY X 183
LEU X 134
 FE2  X1306 ( 2.8A)
None
None
None
None
 1.33A 5m50E-2bq8X:
undetectable		 5m50E-2bq8X:
22.89
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.
2dr1 386AA LONG
HYPOTHETICAL SERINE
AMINOTRANSFERASE

(Pyrococcus
horikoshii) 		PF00266
(Aminotran_5) 		5 VAL A  29
LEU A 270
THR A  58
GLY A 215
LEU A 216
 None
 1.30A 5m50E-2dr1A:
3.2		 5m50E-2dr1A:
20.84
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.
2fi1 HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Streptococcus
pneumoniae) 		PF13419
(HAD_2) 		5 ASP A  93
LEU A 115
HIS A 101
ARG A 185
GLY A  86
 None
 1.37A 5m50E-2fi1A:
2.3		 5m50E-2fi1A:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h63 BILIVERDIN REDUCTASE
A

(Homo sapiens) 		PF01408
(GFO_IDH_MocA)
PF09166
(Biliv-reduc_cat) 		5 VAL A 126
ASP A 254
LEU A 157
ARG A  23
GLY A  20
 None
 1.11A 5m50E-2h63A:
2.3		 5m50E-2h63A:
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.
2hnh DNA POLYMERASE III
ALPHA SUBUNIT

(Escherichia
coli) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 VAL A 552
GLU A 547
LEU A 292
GLN A 334
LEU A 392
 None
 1.31A 5m50E-2hnhA:
undetectable		 5m50E-2hnhA:
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.
2ipc PREPROTEIN
TRANSLOCASE SECA
SUBUNIT

(Thermus
thermophilus) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 VAL A 128
GLU A 210
SER A 213
THR A 450
GLY A 578
 None
 1.35A 5m50E-2ipcA:
1.8		 5m50E-2ipcA:
15.54
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.
2iss GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Thermotoga
maritima) 		PF01174
(SNO) 		5 VAL D  12
ASP D  11
GLN D  93
GLY D  80
LEU D  83
 None
 1.02A 5m50E-2issD:
undetectable		 5m50E-2issD:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o26 KIT LIGAND
MAST/STEM CELL
GROWTH FACTOR
RECEPTOR

(Mus musculus) 		PF02404
(SCF)
no annotation 		5 VAL X  76
GLU X  74
SER A 101
ARG A 104
LEU X 120
 None
 1.28A 5m50E-2o26X:
undetectable		 5m50E-2o26X:
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.
2pfm ADENYLOSUCCINATE
LYASE

(Bacillus
anthracis) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 VAL A  45
LEU A 204
THR A 102
GLY A  93
LEU A  94
 None
 1.35A 5m50E-2pfmA:
undetectable		 5m50E-2pfmA:
20.95
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 ASP A 123
GLU A 125
LEU A 925
ARG A 901
LEU A 894
 None
 1.17A 5m50E-2vz9A:
undetectable		 5m50E-2vz9A:
10.89
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.
2x40 BETA-GLUCOSIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 VAL A  55
ASP A 113
SER A  34
THR A 373
ARG A  69
 None
 1.32A 5m50E-2x40A:
4.6		 5m50E-2x40A:
19.68
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.
2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 LEU A 508
ARG A 556
ARG A 611
GLY A 498
LEU A 495
 None
 1.24A 5m50E-2x58A:
undetectable		 5m50E-2x58A:
21.71
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.
3amj ZINC PEPTIDASE
INACTIVE SUBUNIT

(Sphingomonas
sp. A1) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 GLU B 147
SER B  72
GLN B 161
ARG B 150
GLY B 154
 None
 1.37A 5m50E-3amjB:
undetectable		 5m50E-3amjB:
22.18
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.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 VAL A 779
LEU A 292
SER A 646
GLN A 738
LEU A 768
 None
 1.19A 5m50E-3cttA:
undetectable		 5m50E-3cttA:
18.13
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.
3cwq PARA FAMILY
CHROMOSOME
PARTITIONING PROTEIN

(Synechocystis
sp. PCC 6803) 		PF01656
(CbiA) 		5 GLU A 198
LEU A 108
THR A 111
GLY A 119
LEU A 118
 None
 1.35A 5m50E-3cwqA:
5.7		 5m50E-3cwqA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ehm SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 LEU A 220
SER A 172
GLN A 158
ARG A 127
LEU A 132
 None
 1.34A 5m50E-3ehmA:
undetectable		 5m50E-3ehmA:
23.16
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.
3eqa GLUCOAMYLASE

(Aspergillus
niger) 		PF00723
(Glyco_hydro_15) 		5 VAL A 183
ASP A 186
THR A 101
GLY A  81
LEU A  84
 None
 1.07A 5m50E-3eqaA:
undetectable		 5m50E-3eqaA:
22.11
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.
3f8t PREDICTED ATPASE
INVOLVED IN
REPLICATION CONTROL,
CDC46/MCM FAMILY

(Methanopyrus
kandleri) 		PF00493
(MCM) 		5 VAL A 297
ASP A 300
LEU A 134
ARG A 265
GLY A 123
 None
 1.16A 5m50E-3f8tA:
undetectable		 5m50E-3f8tA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fpn GEOBACILLUS
STEAROTHERMOPHILUS
UVRA INTERACTION
DOMAIN
GEOBACILLUS
STEAROTHERMOPHILUS
UVRB INTERACTION
DOMAIN

(Geobacillus
stearothermophilus) 		no annotation 5 ASP B 198
GLU B 215
THR A 165
ARG A 176
LEU A 186
 None
 1.32A 5m50E-3fpnB:
undetectable		 5m50E-3fpnB:
17.80
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.
3fpn GEOBACILLUS
STEAROTHERMOPHILUS
UVRA INTERACTION
DOMAIN
GEOBACILLUS
STEAROTHERMOPHILUS
UVRB INTERACTION
DOMAIN

(Geobacillus
stearothermophilus) 		no annotation 5 VAL B 199
ASP B 198
GLU B 215
THR A 165
ARG A 176
 None
 1.13A 5m50E-3fpnB:
undetectable		 5m50E-3fpnB:
17.80
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.
3h7l ENDOGLUCANASE

(Vibrio
parahaemolyticus) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		5 GLU A 313
THR A 189
ARG A 263
GLY A 173
LEU A 174
 None
 1.36A 5m50E-3h7lA:
undetectable		 5m50E-3h7lA:
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.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		5 GLU A 303
THR A 119
ARG A 299
GLY A 296
LEU A 291
 None
 1.30A 5m50E-3i58A:
2.8		 5m50E-3i58A:
23.30
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.
3l4i HEAT SHOCK 70
(HSP70) PROTEIN

(Cryptosporidium
parvum) 		PF00012
(HSP70) 		5 ASP A  25
LEU A 212
ARG A 359
GLY A 217
LEU A 216
 ADP  A 401 ( 4.7A)
None
ADP  A 401 (-4.2A)
ADP  A 401 (-3.4A)
None
 1.23A 5m50E-3l4iA:
undetectable		 5m50E-3l4iA:
23.63
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.
3n2b DIAMINOPIMELATE
DECARBOXYLASE

(Vibrio cholerae) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ASP A  80
LEU A 218
THR A 215
GLY A 240
LEU A 241
 None
 1.34A 5m50E-3n2bA:
2.1		 5m50E-3n2bA:
22.27
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.
3nks PROTOPORPHYRINOGEN
OXIDASE

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 LEU A 291
SER A 276
ARG A 267
GLY A 266
LEU A 262
 None
 1.35A 5m50E-3nksA:
undetectable		 5m50E-3nksA:
23.66
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 ASP A 363
GLU A 567
LEU A 740
HIS A 498
GLY A 931
 None
 1.33A 5m50E-3o8oA:
3.4		 5m50E-3o8oA:
20.18
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.
3oml PEROXISOMAL
MULTIFUNCTIONAL
ENZYME TYPE 2,
CG3415

(Drosophila
melanogaster) 		PF00106
(adh_short)
PF01575
(MaoC_dehydratas)
PF13452
(MaoC_dehydrat_N) 		5 VAL A  79
LEU A 106
SER A 130
GLY A  25
LEU A  24
 None
 1.26A 5m50E-3omlA:
5.9		 5m50E-3omlA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qfk UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 VAL A   8
LEU A 217
SER A  10
GLY A 145
LEU A 146
 None
 1.20A 5m50E-3qfkA:
undetectable		 5m50E-3qfkA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qpi CHLORITE DISMUTASE

(Nitrobacter
winogradskyi) 		PF06778
(Chlor_dismutase) 		5 ASP A 176
GLU A 174
LEU A 122
ARG A 163
GLY A 160
 None
None
HEM  A1001 ( 4.7A)
None
None
 1.24A 5m50E-3qpiA:
undetectable		 5m50E-3qpiA:
17.63
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.
3rhy N(G),N(G)-DIMETHYLAR
GININE
DIMETHYLAMINOHYDROLA
SE

(Pseudomonas
aeruginosa) 		PF02274
(Amidinotransf) 		5 VAL A  64
ASP A  66
GLU A  88
ARG A  85
LEU A  14
 None
HM3  A 255 (-4.3A)
None
HM3  A 255 ( 4.7A)
None
 1.26A 5m50E-3rhyA:
undetectable		 5m50E-3rhyA:
22.93
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.
3t34 DYNAMIN-RELATED
PROTEIN 1A, LINKER,
DYNAMIN-RELATED
PROTEIN 1A

(Arabidopsis
thaliana) 		PF00350
(Dynamin_N)
PF01031
(Dynamin_M) 		5 ASP A 142
GLU A  52
SER A  53
ARG A 243
GLY A  63
 MG  A1002 ( 3.9A)
None
None
None
GDP  A1000 ( 3.5A)
 1.24A 5m50E-3t34A:
3.9		 5m50E-3t34A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tox SHORT CHAIN
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 ASP A  65
LEU A 140
HIS A  72
THR A 141
GLY A  94
 NAP  A 601 (-3.4A)
None
None
None
NAP  A 601 (-3.2A)
 1.24A 5m50E-3toxA:
7.3		 5m50E-3toxA:
19.68
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 LEU A3091
HIS A3142
SER A3036
GLY A3063
LEU A3059
 None
 1.22A 5m50E-3vkgA:
undetectable		 5m50E-3vkgA:
8.45
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.
3vml 3-ISOPROPYLMALATE
DEHYDROGENASE

(Shewanella
benthica;
Shewanella
oneidensis) 		PF00180
(Iso_dh) 		5 VAL A  43
ASP A  42
LEU A 306
GLN A   4
GLY A  62
 None
 1.24A 5m50E-3vmlA:
3.3		 5m50E-3vmlA:
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.
3wqu CELL DIVISION
PROTEIN FTSA

(Staphylococcus
aureus) 		PF02491
(SHS2_FTSA)
PF14450
(FtsA) 		5 VAL A 211
ASP A 210
GLU A 229
LEU A  76
SER A 227
 ATP  A 501 (-4.1A)
None
None
None
None
 1.06A 5m50E-3wquA:
undetectable		 5m50E-3wquA:
22.04
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.
3wt0 CELL DIVISION
PROTEIN FTSA

(Staphylococcus
aureus) 		PF02491
(SHS2_FTSA)
PF14450
(FtsA) 		5 VAL A 211
ASP A 210
GLU A 229
LEU A  76
SER A 227
 ATP  A 400 (-4.0A)
None
None
None
None
 1.04A 5m50E-3wt0A:
undetectable		 5m50E-3wt0A:
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.
4ars HISTIDINE ACID
PHOSPHATASE

(Hafnia alvei) 		PF00328
(His_Phos_2) 		5 LEU A 323
HIS A 253
GLN A 357
ARG A  22
GLY A  20
 None
 1.34A 5m50E-4arsA:
undetectable		 5m50E-4arsA:
20.61
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.
4b0t PUP--PROTEIN LIGASE

(Corynebacterium
glutamicum) 		PF03136
(Pup_ligase) 		5 VAL A  98
LEU A 407
GLN A 392
ARG A 385
GLY A 384
 None
 1.19A 5m50E-4b0tA:
undetectable		 5m50E-4b0tA:
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.
4bs9 TRUD

(uncultured
Prochloron sp.
06037A) 		PF02624
(YcaO) 		5 GLU A 558
LEU A 734
GLN A 727
ARG A 559
GLY A 538
 None
 1.19A 5m50E-4bs9A:
undetectable		 5m50E-4bs9A:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cpn NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		5 ASP A 329
THR A  90
ARG A 366
GLY A 377
LEU A 378
 None
 1.21A 5m50E-4cpnA:
undetectable		 5m50E-4cpnA:
23.63
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.
4cvu BETA-MANNOSIDASE

(Trichoderma
harzianum) 		PF00703
(Glyco_hydro_2) 		5 ASP A 569
LEU A 481
SER A 355
GLN A 448
GLY A 487
 None
 1.24A 5m50E-4cvuA:
3.3		 5m50E-4cvuA:
18.94
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.
4fha DIHYDRODIPICOLINATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00701
(DHDPS) 		5 ASP A  90
LEU A 150
HIS A 125
GLY A  82
LEU A 108
 None
 1.16A 5m50E-4fhaA:
2.9		 5m50E-4fhaA:
22.27
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.
4fms PROBABLE PORIN

(Pseudomonas
aeruginosa) 		no annotation 5 LEU B  64
SER B 391
GLN B 133
ARG B 369
GLY B 128
 None
None
None
None
BDP  B 401 ( 4.4A)
 1.33A 5m50E-4fmsB:
undetectable		 5m50E-4fmsB:
22.01
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.
4iqy O-ACETYL-ADP-RIBOSE
DEACETYLASE MACROD2

(Homo sapiens) 		PF01661
(Macro) 		5 VAL A 101
ASP A 102
THR A 204
GLY A 146
LEU A 161
 AR6  A 301 (-3.9A)
AR6  A 301 (-3.6A)
None
None
None
 1.30A 5m50E-4iqyA:
2.1		 5m50E-4iqyA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wb0 BROAD SPECIFICITY
AMINOTRANSFERASE

(Leishmania
mexicana) 		PF00155
(Aminotran_1_2) 		5 ASP A  86
LEU A  66
HIS A 306
GLY A  80
LEU A  76
 None
None
None
None
CSO  A 296 ( 4.2A)
 1.33A 5m50E-4wb0A:
undetectable		 5m50E-4wb0A:
21.57
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.
4xhc ALPHA-L-RHAMNOSIDASE

(Klebsiella
oxytoca) 		PF17389
(Bac_rhamnosid6H) 		5 VAL A 270
LEU A 308
THR A 304
ARG A  27
LEU A  26
 None
 1.32A 5m50E-4xhcA:
undetectable		 5m50E-4xhcA:
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.
4xq2 CALE6

(Micromonospora
echinospora) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU A 210
SER A  95
THR A  82
GLY A 102
LEU A 106
 None
 1.31A 5m50E-4xq2A:
2.2		 5m50E-4xq2A:
20.62
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		5 ASP A 575
GLU A1159
HIS A 824
GLY A1154
LEU A1274
 None
 1.37A 5m50E-5a22A:
undetectable		 5m50E-5a22A:
11.23
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.
5aog CATIONIC PEROXIDASE
SPC4

(Sorghum bicolor) 		PF00141
(peroxidase) 		5 VAL A 176
LEU A 142
HIS A  81
GLY A  96
LEU A  94
 None
 1.31A 5m50E-5aogA:
undetectable		 5m50E-5aogA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b3f PHOSPHORIBULOKINASE/
URIDINE KINASE

(Methanospirillum
hungatei) 		PF00485
(PRK) 		5 VAL A  51
ASP A  52
GLU A 120
HIS A 123
GLY A  27
 None
None
SO4  A 401 ( 4.2A)
None
SO4  A 401 (-3.2A)
 1.11A 5m50E-5b3fA:
undetectable		 5m50E-5b3fA:
22.30
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.
5cc8 THIAMINE-MONOPHOSPHA
TE KINASE

(Acinetobacter
baumannii) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 VAL A  19
LEU A  69
SER A  15
GLY A 117
LEU A  84
 None
None
None
ANP  A 401 (-3.7A)
ANP  A 401 (-4.2A)
 1.18A 5m50E-5cc8A:
undetectable		 5m50E-5cc8A:
21.85
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.
5es6 LINEAR GRAMICIDIN
SYNTHASE SUBUNIT A

(Brevibacillus
parabrevis) 		PF00501
(AMP-binding)
PF00551
(Formyl_trans_N) 		5 LEU A 264
HIS A 413
SER A 438
GLY A 409
LEU A 406
 None
 1.31A 5m50E-5es6A:
undetectable		 5m50E-5es6A:
19.94
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.
5es9 LINEAR GRAMICIDIN
SYNTHETASE SUBUNIT A

(Brevibacillus
parabrevis) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00551
(Formyl_trans_N)
PF13193
(AMP-binding_C) 		5 LEU A 264
HIS A 413
SER A 438
GLY A 409
LEU A 406
 None
 1.23A 5m50E-5es9A:
undetectable		 5m50E-5es9A:
19.90
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.
5gms ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLU A 262
GLN A  69
ARG A 287
GLY A 289
LEU A 292
 None
 1.36A 5m50E-5gmsA:
undetectable		 5m50E-5gmsA:
21.27
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.
5hrm HALOALKYLPHOSPHORUS
HYDROLASE

(Sphingobium sp.
TCM1) 		no annotation 5 VAL A 275
HIS A 258
THR A 151
ARG A 226
GLY A 156
 None
MN  A 602 (-3.2A)
None
None
None
 1.31A 5m50E-5hrmA:
undetectable		 5m50E-5hrmA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hzw MALTOSE-BINDING
PERIPLASMIC
PROTEIN,ENDOGLIN

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8) 		5 LEU A 624
SER A 392
THR A 108
GLY A 129
LEU A 130
 None
 1.31A 5m50E-5hzwA:
undetectable		 5m50E-5hzwA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ioj HALOALKYLPHOSPHORUS
HYDROLASE

(Sphingobium sp.
TCM1) 		no annotation 5 VAL A 275
HIS A 258
THR A 151
ARG A 226
GLY A 156
 None
 1.36A 5m50E-5iojA:
undetectable		 5m50E-5iojA:
20.84
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.
5jnf LINEAR GRAMICIDIN
SYNTHASE SUBUNIT A

(Brevibacillus
parabrevis) 		no annotation 5 LEU C 264
HIS C 413
SER C 438
GLY C 409
LEU C 406
 None
 1.31A 5m50E-5jnfC:
undetectable		 5m50E-5jnfC:
21.24
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.
5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA

(Methylobacillus
flagellatus) 		PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 LEU C 125
SER C 105
THR C 142
GLY C  48
LEU C  81
 None
None
None
PYR  C2001 (-3.5A)
PYR  C2001 (-4.7A)
 1.33A 5m50E-5ks8C:
undetectable		 5m50E-5ks8C:
22.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mjs TUBULIN BETA CHAIN

(Schizosaccharomyces
pombe) 		no annotation 5 ASP A  26
GLU A  27
LEU A 215
HIS A 227
LEU A 360
 None
 0.92A 5m50E-5mjsA:
undetectable		 5m50E-5mjsA:
59.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 6 ASP B  26
GLU B  27
LEU B 217
GLN B 281
ARG B 320
GLY B 370
 None
 1.19A 5m50E-5n5nB:
undetectable		 5m50E-5n5nB:
97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 7 ASP B  26
GLU B  27
LEU B 217
THR B 276
GLN B 281
GLY B 370
LEU B 371
 None
 1.22A 5m50E-5n5nB:
undetectable		 5m50E-5n5nB:
97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 7 ASP B  26
LEU B 217
SER B 236
THR B 276
GLN B 281
GLY B 370
LEU B 371
 None
 1.16A 5m50E-5n5nB:
undetectable		 5m50E-5n5nB:
97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 7 VAL B  23
ASP B  26
GLU B  27
LEU B 217
HIS B 229
GLN B 281
GLY B 370
 None
 1.04A 5m50E-5n5nB:
undetectable		 5m50E-5n5nB:
97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 7 VAL B  23
ASP B  26
GLU B  27
LEU B 217
THR B 276
GLN B 281
GLY B 370
 None
 1.11A 5m50E-5n5nB:
undetectable		 5m50E-5n5nB:
97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 7 VAL B  23
ASP B  26
LEU B 217
HIS B 229
SER B 236
GLN B 281
GLY B 370
 None
 0.98A 5m50E-5n5nB:
undetectable		 5m50E-5n5nB:
97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 7 VAL B  23
ASP B  26
LEU B 217
SER B 236
THR B 276
GLN B 281
GLY B 370
 None
 1.03A 5m50E-5n5nB:
undetectable		 5m50E-5n5nB:
97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 6 VAL B  23
ASP B  26
LEU B 275
HIS B 229
GLN B 281
GLY B 370
 None
 1.35A 5m50E-5n5nB:
undetectable		 5m50E-5n5nB:
97.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5n TUBULIN BETA CHAIN

(Homo sapiens) 		no annotation 6 VAL B  23
ASP B  26
LEU B 275
THR B 276
GLN B 281
GLY B 370
 None
 1.48A 5m50E-5n5nB:
undetectable		 5m50E-5n5nB:
97.89
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.
5ugf PURINE NUCLEOSIDE
PHOSPHORYLASE

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		5 VAL A 113
GLU A 224
LEU A  42
ARG A  84
GLY A  83
 None
None
None
PO4  A 301 (-4.1A)
None
 1.34A 5m50E-5ugfA:
undetectable		 5m50E-5ugfA:
22.30
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.
5v8f DNA REPLICATION
LICENSING FACTOR
MCM7

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 HIS 7 334
SER 7 249
THR 7 352
GLY 7 337
LEU 7 339
 None
 1.22A 5m50E-5v8f7:
undetectable		 5m50E-5v8f7:
19.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w3j TUBULIN BETA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 LEU B 215
THR B 274
GLN B 279
GLY B 360
LEU B 361
 None
TA1  B 502 (-4.7A)
TA1  B 502 ( 4.3A)
TA1  B 502 (-3.6A)
TA1  B 502 (-3.7A)
 1.02A 5m50E-5w3jB:
undetectable		 5m50E-5w3jB:
77.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w3j TUBULIN BETA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 SER B 234
THR B 274
GLN B 279
GLY B 360
LEU B 361
 TA1  B 502 ( 4.9A)
TA1  B 502 (-4.7A)
TA1  B 502 ( 4.3A)
TA1  B 502 (-3.6A)
TA1  B 502 (-3.7A)
 1.33A 5m50E-5w3jB:
undetectable		 5m50E-5w3jB:
77.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w3j TUBULIN BETA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		8 VAL B  23
ASP B  26
GLU B  27
LEU B 215
THR B 274
GLN B 279
ARG B 318
GLY B 360
 TA1  B 502 (-3.9A)
TA1  B 502 (-4.1A)
TA1  B 502 (-3.6A)
None
TA1  B 502 (-4.7A)
TA1  B 502 ( 4.3A)
None
TA1  B 502 (-3.6A)
 1.01A 5m50E-5w3jB:
undetectable		 5m50E-5w3jB:
77.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w3j TUBULIN BETA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		7 VAL B  23
ASP B  26
SER B 234
THR B 274
GLN B 279
ARG B 318
GLY B 360
 TA1  B 502 (-3.9A)
TA1  B 502 (-4.1A)
TA1  B 502 ( 4.9A)
TA1  B 502 (-4.7A)
TA1  B 502 ( 4.3A)
None
TA1  B 502 (-3.6A)
 1.03A 5m50E-5w3jB:
undetectable		 5m50E-5w3jB:
77.31
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.
5wsl KERATINASE

(Meiothermus
taiwanensis) 		no annotation 5 VAL A  87
HIS A 229
SER A 276
GLY A  22
LEU A  20
 None
 1.22A 5m50E-5wslA:
undetectable		 5m50E-5wslA:
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.
5x7u TREHALOSE SYNTHASE

(Thermobaculum
terrenum) 		no annotation 5 ASP A  62
LEU A 207
HIS A 105
GLN A 247
ARG A 389
 TRS  A 600 (-3.0A)
None
TRS  A 600 (-3.9A)
None
TRS  A 600 (-3.3A)
 1.32A 5m50E-5x7uA:
undetectable		 5m50E-5x7uA:
12.20
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S) 		5 VAL A 392
THR A 430
GLN A 438
GLY A 407
LEU A 406
 None
 1.29A 5m50E-5xfaA:
undetectable		 5m50E-5xfaA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ccb GLYCOPROTEIN 120

(Human
immunodeficiency
virus 1) 		no annotation 5 LEU C 416
THR C 387
GLN C 258
GLY C 451
LEU C 452
 None
 1.29A 5m50E-6ccbC:
undetectable		 5m50E-6ccbC:
10.59
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.
6co2 NUDT16-TUDOR-INTERAC
TING (NUDT16TI)

(Homo sapiens) 		no annotation 5 ASP A  63
GLN A  48
ARG A  89
ARG A  75
LEU A  77
 None
 1.03A 5m50E-6co2A:
undetectable		 5m50E-6co2A:
11.72
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.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 5 VAL A 183
ASP A 186
THR A 101
GLY A  81
LEU A  84
 None
 0.96A 5m50E-6frvA:
undetectable		 5m50E-6frvA:
14.71
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.
6gdt -

(-) 		no annotation 5 GLU A 313
THR A 189
ARG A 263
GLY A 173
LEU A 174
 None
 1.33A 5m50E-6gdtA:
undetectable		 5m50E-6gdtA:
undetectable