SIMILAR PATTERNS OF AMINO ACIDS FOR 6IEY_A_CLMA401_0

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.
1cw0 PROTEIN (DNA
MISMATCH
ENDONUCLEASE)

(Escherichia
coli) 		PF03852
(Vsr) 		5 ILE A  61
ALA A 118
LEU A 130
GLY A 151
ALA A 145
 None
 1.30A 6ieyA-1cw0A:
1.9
6ieyB-1cw0A:
1.0		 6ieyA-1cw0A:
18.35
6ieyB-1cw0A:
18.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1evq SERINE HYDROLASE

(Alicyclobacillus
acidocaldarius) 		PF07859
(Abhydrolase_3) 		5 HIS A  93
ASP A 154
LEU A 206
HIS A 282
GLY A 283
 None
None
None
EPE  A 455 (-4.0A)
None
 0.38A 6ieyA-1evqA:
41.0
6ieyB-1evqA:
40.9		 6ieyA-1evqA:
46.06
6ieyB-1evqA:
46.06
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.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		5 HIS A 440
TYR A 121
GLY A 118
SER A 200
PHE A 331
 EMM  A1999 ( 3.8A)
None
SAF  A1998 ( 3.5A)
EMM  A1999 ( 1.4A)
EMM  A1999 (-4.7A)
 1.16A 6ieyA-1gqrA:
18.0
6ieyB-1gqrA:
18.4		 6ieyA-1gqrA:
20.34
6ieyB-1gqrA:
20.34
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.
1gzk RAC-BETA
SERINE/THREONINE
PROTEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		5 ILE A 276
HIS A 267
ASP A 399
LEU A 384
GLY A 395
 None
 1.20A 6ieyA-1gzkA:
undetectable
6ieyB-1gzkA:
undetectable		 6ieyA-1gzkA:
19.14
6ieyB-1gzkA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1idm 3-ISOPROPYLMALATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00180
(Iso_dh) 		5 HIS A 271
ALA A 288
GLY A  12
SER A  71
ALA A 274
 None
 1.34A 6ieyA-1idmA:
undetectable
6ieyB-1idmA:
undetectable		 6ieyA-1idmA:
23.68
6ieyB-1idmA:
23.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jji CARBOXYLESTERASE

(Archaeoglobus
fulgidus) 		PF07859
(Abhydrolase_3) 		6 ILE A  92
HIS A  98
ASP A 159
LEU A 210
HIS A 285
GLY A 286
 None
None
None
None
EPE  A 455 (-4.6A)
None
 0.55A 6ieyA-1jjiA:
37.3
6ieyB-1jjiA:
37.5		 6ieyA-1jjiA:
40.63
6ieyB-1jjiA:
40.63
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		5 ILE A 314
HIS A 357
HIS A 149
SER A  89
ALA A 355
 None
ZN  A 478 (-3.1A)
ZN  A 479 (-3.1A)
None
None
 1.13A 6ieyA-1k7hA:
undetectable
6ieyB-1k7hA:
undetectable		 6ieyA-1k7hA:
21.79
6ieyB-1k7hA:
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.
1mw9 DNA TOPOISOMERASE I

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 ILE X 394
ALA X 400
GLY X 281
PHE X 284
ALA X 292
 None
 1.13A 6ieyA-1mw9X:
2.9
6ieyB-1mw9X:
3.0		 6ieyA-1mw9X:
19.77
6ieyB-1mw9X:
19.77
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 ILE A1410
ALA A1368
GLY A1334
PHE A1383
ALA A1379
 None
 1.29A 6ieyA-1ofeA:
undetectable
6ieyB-1ofeA:
undetectable		 6ieyA-1ofeA:
12.28
6ieyB-1ofeA:
12.28
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.
1oi4 HYPOTHETICAL PROTEIN
YHBO

(Escherichia
coli) 		PF01965
(DJ-1_PfpI) 		5 HIS A   9
ASP A  76
LEU A  29
PHE A  39
ALA A  43
 None
 1.16A 6ieyA-1oi4A:
undetectable
6ieyB-1oi4A:
3.3		 6ieyA-1oi4A:
21.29
6ieyB-1oi4A:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r6b CLPA PROTEIN

(Escherichia
coli) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 ILE X 399
TYR X 373
HIS X 369
GLY X 406
ALA X 381
 ADP  X 780 (-4.7A)
None
None
None
None
 1.24A 6ieyA-1r6bX:
undetectable
6ieyB-1r6bX:
undetectable		 6ieyA-1r6bX:
18.72
6ieyB-1r6bX:
18.72
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.
1ua2 CELL DIVISION
PROTEIN KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		5 ASP A 155
ALA A 154
LEU A 138
HIS A 135
SER A 161
 ATP  A 381 ( 4.4A)
None
None
None
ATP  A 381 (-3.2A)
 1.18A 6ieyA-1ua2A:
undetectable
6ieyB-1ua2A:
undetectable		 6ieyA-1ua2A:
21.35
6ieyB-1ua2A:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ILE A  95
LEU A 141
GLY A 134
PHE A  98
ALA A 102
 None
 1.34A 6ieyA-1uagA:
2.4
6ieyB-1uagA:
2.4		 6ieyA-1uagA:
23.46
6ieyB-1uagA:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uis RED FLUORESCENT
PROTEIN FP611

(Entacmaea
quadricolor) 		PF01353
(GFP) 		5 ILE A  70
TYR A 178
LEU A 154
GLY A 156
SER A 158
 ACY  A1001 (-4.8A)
None
None
None
NRQ  A  63 ( 2.4A)
 1.05A 6ieyA-1uisA:
undetectable
6ieyB-1uisA:
undetectable		 6ieyA-1uisA:
21.34
6ieyB-1uisA:
21.34
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.
1wqa PHOSPHO-SUGAR MUTASE

(Pyrococcus
horikoshii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 ILE A 158
HIS A 336
ALA A 347
GLY A 342
ALA A  82
 ILE  A 158 ( 0.7A)
HIS  A 336 ( 1.0A)
ALA  A 347 ( 0.0A)
GLY  A 342 ( 0.0A)
ALA  A  82 ( 0.0A)
 1.17A 6ieyA-1wqaA:
2.4
6ieyB-1wqaA:
2.2		 6ieyA-1wqaA:
23.79
6ieyB-1wqaA:
23.79
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.
1xqm KINDLING FLUORESCENT
PROTEIN

(Anemonia
sulcata) 		PF01353
(GFP) 		5 ILE A  70
TYR A 178
LEU A 154
GLY A 156
SER A 158
 None
None
None
None
CH6  A  63 ( 2.4A)
 1.19A 6ieyA-1xqmA:
undetectable
6ieyB-1xqmA:
undetectable		 6ieyA-1xqmA:
17.55
6ieyB-1xqmA:
17.55
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.
1yrz XYLAN
BETA-1,4-XYLOSIDASE

(Bacillus
halodurans) 		PF04616
(Glyco_hydro_43) 		5 ILE A1297
ALA A1214
LEU A1253
GLY A1251
ALA A1283
 None
 1.33A 6ieyA-1yrzA:
undetectable
6ieyB-1yrzA:
undetectable		 6ieyA-1yrzA:
19.44
6ieyB-1yrzA:
19.44
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.
1z7e PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF01370
(Epimerase)
PF02911
(Formyl_trans_C) 		5 ILE A 525
TYR A 608
GLY A 507
SER A 509
ALA A 511
 None
UGA  A1101 ( 4.6A)
None
None
UGA  A1101 (-3.3A)
 1.18A 6ieyA-1z7eA:
3.7
6ieyB-1z7eA:
3.5		 6ieyA-1z7eA:
18.61
6ieyB-1z7eA:
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.
1zxo CONSERVED
HYPOTHETICAL PROTEIN
Q8A1P1

(Bacteroides
thetaiotaomicron) 		no annotation 5 ILE A 249
LEU A 114
GLY A 145
SER A 198
ALA A 202
 None
 1.33A 6ieyA-1zxoA:
undetectable
6ieyB-1zxoA:
undetectable		 6ieyA-1zxoA:
24.44
6ieyB-1zxoA:
24.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2c7b CARBOXYLESTERASE

(uncultured
archaeon) 		PF07859
(Abhydrolase_3) 		6 HIS A  92
ASP A 153
LEU A 206
HIS A 281
GLY A 282
SER A 285
 None
 0.59A 6ieyA-2c7bA:
41.2
6ieyB-2c7bA:
41.3		 6ieyA-2c7bA:
41.46
6ieyB-2c7bA:
41.46
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.
2fg5 RAS-RELATED PROTEIN
RAB-31

(Homo sapiens) 		PF00071
(Ras) 		5 ILE A  58
ALA A 114
LEU A 158
GLY A 161
PHE A  56
 None
 1.28A 6ieyA-2fg5A:
4.2
6ieyB-2fg5A:
3.3		 6ieyA-2fg5A:
21.43
6ieyB-2fg5A:
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.
2fn9 RIBOSE ABC
TRANSPORTER,
PERIPLASMIC
RIBOSE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF13407
(Peripla_BP_4) 		5 ASP A 199
ALA A 202
LEU A 136
GLY A 197
ALA A 113
 None
 1.31A 6ieyA-2fn9A:
5.6
6ieyB-2fn9A:
5.2		 6ieyA-2fn9A:
25.29
6ieyB-2fn9A:
25.29
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.
2jif SHORT/BRANCHED CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ILE A 125
ALA A 374
TYR A 413
GLY A 410
ALA A 133
 None
 1.19A 6ieyA-2jifA:
undetectable
6ieyB-2jifA:
undetectable		 6ieyA-2jifA:
21.45
6ieyB-2jifA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jir PERIPLASMIC NITRATE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 HIS A 623
ALA A 180
LEU A 343
HIS A 181
GLY A  17
 MGD  A 811 ( 3.6A)
MGD  A 812 (-3.2A)
None
MGD  A 812 ( 4.6A)
None
 1.16A 6ieyA-2jirA:
undetectable
6ieyB-2jirA:
undetectable		 6ieyA-2jirA:
17.17
6ieyB-2jirA:
17.17
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.
2jpo PHEROMONE-BINDING
PROTEIN

(Antheraea
polyphemus) 		PF01395
(PBP_GOBP) 		5 ILE A  93
ALA A  73
LEU A 133
GLY A 136
ALA A 115
 None
 1.20A 6ieyA-2jpoA:
undetectable
6ieyB-2jpoA:
undetectable		 6ieyA-2jpoA:
19.03
6ieyB-2jpoA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ohh TYPE A FLAVOPROTEIN
FPRA

(Methanothermobacter
thermautotrophicus) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		5 HIS A  88
ASP A 170
LEU A  30
HIS A 175
SER A 232
 FE  A 501 (-3.1A)
FE  A 501 ( 2.3A)
None
None
FE  A 501 ( 3.8A)
 1.20A 6ieyA-2ohhA:
4.4
6ieyB-2ohhA:
4.4		 6ieyA-2ohhA:
22.55
6ieyB-2ohhA:
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.
2oum 50S RIBOSOMAL
PROTEIN L1

(Thermus
thermophilus) 		PF00687
(Ribosomal_L1) 		5 ILE A 193
HIS A 199
GLY A  60
PHE A 192
ALA A 173
 None
 1.26A 6ieyA-2oumA:
undetectable
6ieyB-2oumA:
undetectable		 6ieyA-2oumA:
17.35
6ieyB-2oumA:
17.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2psb YERB PROTEIN

(Bacillus
subtilis) 		PF11258
(DUF3048)
PF17479
(DUF3048_C) 		5 ILE A 295
ALA A 236
LEU A 251
GLY A 254
PHE A 232
 None
 1.26A 6ieyA-2psbA:
undetectable
6ieyB-2psbA:
undetectable		 6ieyA-2psbA:
23.41
6ieyB-2psbA:
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.
2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3

(Homo sapiens) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 ILE A 354
ALA A 370
GLY A 384
PHE A 412
ALA A 415
 None
None
GOL  A 804 (-3.6A)
None
None
 1.10A 6ieyA-2qk4A:
undetectable
6ieyB-2qk4A:
2.4		 6ieyA-2qk4A:
22.78
6ieyB-2qk4A:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rci TYPE-2BA CYTOLYTIC
DELTA-ENDOTOXIN

(Bacillus
thuringiensis) 		PF01338
(Bac_thur_toxin) 		5 ILE A 186
ALA A  90
GLY A  86
PHE A  64
ALA A  80
 ILE  A 186 ( 0.7A)
ALA  A  90 ( 0.0A)
GLY  A  86 ( 0.0A)
PHE  A  64 ( 1.3A)
ALA  A  80 ( 0.0A)
 1.03A 6ieyA-2rciA:
undetectable
6ieyB-2rciA:
undetectable		 6ieyA-2rciA:
19.93
6ieyB-2rciA:
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.
2xd7 CORE HISTONE
MACRO-H2A.2

(Homo sapiens) 		PF01661
(Macro) 		5 ILE A 294
HIS A 337
LEU A 197
SER A 344
ALA A 301
 None
 1.35A 6ieyA-2xd7A:
2.9
6ieyB-2xd7A:
3.2		 6ieyA-2xd7A:
18.10
6ieyB-2xd7A:
18.10
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.
2yb4 AMIDOHYDROLASE

(Chromobacterium
violaceum) 		PF02811
(PHP) 		5 ILE A  76
HIS A 191
ASP A 248
GLY A 246
SER A 221
 None
 1.23A 6ieyA-2yb4A:
undetectable
6ieyB-2yb4A:
undetectable		 6ieyA-2yb4A:
21.73
6ieyB-2yb4A:
21.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2yh2 ESTERASE

(Pyrobaculum
calidifontis) 		PF07859
(Abhydrolase_3) 		6 HIS A  95
ASP A 156
LEU A 209
HIS A 284
GLY A 285
PHE A  33
 None
 0.44A 6ieyA-2yh2A:
39.0
6ieyB-2yh2A:
38.9		 6ieyA-2yh2A:
44.34
6ieyB-2yh2A:
44.34
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.
3a62 RIBOSOMAL PROTEIN S6
KINASE BETA-1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 202
HIS A 210
ASP A 342
ALA A 343
GLY A 337
 None
 1.17A 6ieyA-3a62A:
undetectable
6ieyB-3a62A:
undetectable		 6ieyA-3a62A:
19.45
6ieyB-3a62A:
19.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ail 303AA LONG
HYPOTHETICAL
ESTERASE

(Sulfurisphaera
tokodaii) 		PF07859
(Abhydrolase_3) 		5 ASP A 149
LEU A 198
HIS A 273
GLY A 274
SER A 277
 None
DEP  A 304 ( 4.6A)
DEP  A 304 (-4.1A)
None
None
 0.35A 6ieyA-3ailA:
41.9
6ieyB-3ailA:
41.9		 6ieyA-3ailA:
36.47
6ieyB-3ailA:
36.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cfh GFP-LIKE
PHOTOSWITCHABLE
FLUORESCENT PROTEIN

(Anemonia
sulcata) 		PF01353
(GFP) 		5 ILE A  70
TYR A 178
LEU A 154
GLY A 156
SER A 158
 None
None
None
None
NRQ  A  65 ( 2.0A)
 1.19A 6ieyA-3cfhA:
undetectable
6ieyB-3cfhA:
undetectable		 6ieyA-3cfhA:
19.38
6ieyB-3cfhA:
19.38
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		5 ILE A 155
ALA A 218
LEU A  55
GLY A 216
PHE A  48
 None
 1.13A 6ieyA-3ckbA:
undetectable
6ieyB-3ckbA:
undetectable		 6ieyA-3ckbA:
19.48
6ieyB-3ckbA:
19.48
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.
3d0q PROTEIN CALG3

(Micromonospora
echinospora) 		PF06722
(DUF1205) 		5 ILE A 323
HIS A 283
ALA A 314
GLY A 287
ALA A 293
 None
 1.25A 6ieyA-3d0qA:
5.4
6ieyB-3d0qA:
4.2		 6ieyA-3d0qA:
24.24
6ieyB-3d0qA:
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.
3egj N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Vibrio cholerae) 		PF01979
(Amidohydro_1) 		5 ILE A  72
LEU A 127
GLY A 124
SER A 122
PHE A  68
 None
 1.05A 6ieyA-3egjA:
undetectable
6ieyB-3egjA:
undetectable		 6ieyA-3egjA:
22.03
6ieyB-3egjA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ij3 CYTOSOL
AMINOPEPTIDASE

(Coxiella
burnetii) 		PF00883
(Peptidase_M17) 		5 ILE A  16
LEU A 106
GLY A 110
SER A 113
ALA A 127
 None
 1.30A 6ieyA-3ij3A:
3.6
6ieyB-3ij3A:
3.8		 6ieyA-3ij3A:
22.22
6ieyB-3ij3A:
22.22
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.
3no0 DNA GYRASE SUBUNIT A

(Aquifex
aeolicus) 		PF03989
(DNA_gyraseA_C) 		5 ILE A 765
LEU A 712
GLY A 663
SER A 613
ALA A 615
 None
None
GOL  A   1 (-3.2A)
GOL  A   1 (-3.3A)
GOL  A   1 ( 4.2A)
 1.35A 6ieyA-3no0A:
undetectable
6ieyB-3no0A:
undetectable		 6ieyA-3no0A:
21.43
6ieyB-3no0A:
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.
3nxk CYTOPLASMIC
L-ASPARAGINASE

(Campylobacter
jejuni) 		PF00710
(Asparaginase) 		5 LEU A 117
HIS A  93
GLY A  94
PHE A 177
ALA A 176
 None
None
SO4  A 341 (-3.1A)
None
None
 1.15A 6ieyA-3nxkA:
2.2
6ieyB-3nxkA:
3.6		 6ieyA-3nxkA:
25.39
6ieyB-3nxkA:
25.39
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.
3ot1 4-METHYL-5(B-HYDROXY
ETHYL)-THIAZOLE
MONOPHOSPHATE
BIOSYNTHESIS ENZYME

(Vibrio cholerae) 		PF01965
(DJ-1_PfpI) 		5 ILE B   9
LEU B 173
GLY B 176
PHE B  34
ALA B  32
 None
 1.33A 6ieyA-3ot1B:
3.7
6ieyB-3ot1B:
2.8		 6ieyA-3ot1B:
21.04
6ieyB-3ot1B:
21.04
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.
3pef 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
NAD-BINDING

(Geobacter
metallireducens) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 ILE A 135
LEU A 161
GLY A 139
PHE A 151
ALA A 147
 None
None
EDO  A 292 ( 4.6A)
None
None
 1.21A 6ieyA-3pefA:
undetectable
6ieyB-3pefA:
undetectable		 6ieyA-3pefA:
25.00
6ieyB-3pefA:
25.00
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.
3sql GLYCOSYL HYDROLASE
FAMILY 3

(Synechococcus
sp. PCC 7002) 		PF00933
(Glyco_hydro_3) 		5 ILE A  89
LEU A 136
GLY A 357
SER A 359
ALA A 100
 None
 1.27A 6ieyA-3sqlA:
undetectable
6ieyB-3sqlA:
4.2		 6ieyA-3sqlA:
23.55
6ieyB-3sqlA:
23.55
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.
3tbb SMALL LACCASE,
OXIDOREDUCTASE

(Streptomyces
viridosporus) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 130
ASP A 102
GLY A 100
SER A 144
ALA A 142
 None
None
None
None
PO4  A   4 (-3.6A)
 1.11A 6ieyA-3tbbA:
undetectable
6ieyB-3tbbA:
undetectable		 6ieyA-3tbbA:
22.76
6ieyB-3tbbA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tej ENTEROBACTIN
SYNTHASE COMPONENT F

(Escherichia
coli) 		PF00550
(PP-binding)
PF00975
(Thioesterase) 		5 ILE A 980
ALA A1009
LEU A 987
GLY A1004
ALA A 997
 None
UF0  A1006 ( 3.3A)
None
None
None
 1.20A 6ieyA-3tejA:
15.1
6ieyB-3tejA:
15.3		 6ieyA-3tejA:
25.62
6ieyB-3tejA:
25.62
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.
3ti7 BASIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE BPRV

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		5 ILE A 203
ALA A 279
LEU A 247
SER A 239
ALA A 212
 None
 1.22A 6ieyA-3ti7A:
3.6
6ieyB-3ti7A:
3.5		 6ieyA-3ti7A:
23.62
6ieyB-3ti7A:
23.62
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.
3tkr PEROXIREDOXIN-4

(Homo sapiens) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		5 ILE A 135
HIS A 119
ASP A  82
SER A 112
ALA A 110
 None
 1.30A 6ieyA-3tkrA:
undetectable
6ieyB-3tkrA:
undetectable		 6ieyA-3tkrA:
20.58
6ieyB-3tkrA:
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.
3vta CUCUMISIN

(Cucumis melo) 		PF00082
(Peptidase_S8) 		5 HIS A 577
GLY A 496
SER A 328
PHE A 117
ALA A 469
 None
 1.11A 6ieyA-3vtaA:
3.9
6ieyB-3vtaA:
2.5		 6ieyA-3vtaA:
19.29
6ieyB-3vtaA:
19.29
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.
3vta CUCUMISIN

(Cucumis melo) 		PF00082
(Peptidase_S8) 		5 HIS A 577
HIS A 530
SER A 328
PHE A 117
ALA A 469
 None
 1.32A 6ieyA-3vtaA:
3.9
6ieyB-3vtaA:
2.5		 6ieyA-3vtaA:
19.29
6ieyB-3vtaA:
19.29
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.
3vwv PEROXIREDOXIN-4

(Mus musculus) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		5 ILE A 175
HIS A 159
ASP A 122
SER A 152
ALA A 150
 None
 1.33A 6ieyA-3vwvA:
undetectable
6ieyB-3vwvA:
undetectable		 6ieyA-3vwvA:
21.07
6ieyB-3vwvA:
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.
3wbk EUKARYOTIC
TRANSLATION
INITIATION FACTOR 5B

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2) 		5 ILE A 436
ALA A 359
LEU A 369
GLY A 363
SER A  82
 None
 1.09A 6ieyA-3wbkA:
undetectable
6ieyB-3wbkA:
3.1		 6ieyA-3wbkA:
20.07
6ieyB-3wbkA:
20.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wj2 CARBOXYLESTERASE

(Ferroplasma
acidiphilum) 		PF07859
(Abhydrolase_3) 		5 ASP A 155
LEU A 205
HIS A 281
GLY A 282
PHE A  89
 None
 0.94A 6ieyA-3wj2A:
39.0
6ieyB-3wj2A:
39.0		 6ieyA-3wj2A:
35.20
6ieyB-3wj2A:
35.20
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.
4b7x PROBABLE
OXIDOREDUCTASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 ILE A 153
ALA A 159
GLY A 132
PHE A 221
ALA A 138
 None
NAP  A 400 (-3.4A)
None
None
None
 1.20A 6ieyA-4b7xA:
2.8
6ieyB-4b7xA:
2.5		 6ieyA-4b7xA:
24.93
6ieyB-4b7xA:
24.93
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.
4dy0 GLIA-DERIVED NEXIN

(Homo sapiens) 		PF00079
(Serpin) 		5 LEU A 173
HIS A 228
GLY A 229
SER A 231
PHE A 170
 None
 1.04A 6ieyA-4dy0A:
undetectable
6ieyB-4dy0A:
undetectable		 6ieyA-4dy0A:
20.10
6ieyB-4dy0A:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e10 PROTELOMERASE

(Agrobacterium
fabrum) 		PF16684
(Telomere_res) 		5 ILE A 279
LEU A 236
GLY A 245
PHE A 265
ALA A 263
 None
 0.97A 6ieyA-4e10A:
undetectable
6ieyB-4e10A:
undetectable		 6ieyA-4e10A:
21.01
6ieyB-4e10A:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f3n UNCHARACTERIZED ACR,
COG1565 SUPERFAMILY

(Burkholderia
thailandensis) 		PF02636
(Methyltransf_28) 		5 ALA A 113
GLY A 270
SER A 391
PHE A 273
ALA A 389
 None
 1.29A 6ieyA-4f3nA:
undetectable
6ieyB-4f3nA:
undetectable		 6ieyA-4f3nA:
24.83
6ieyB-4f3nA:
24.83
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.
4f41 PROTELOMERASE

(Agrobacterium
fabrum) 		PF16684
(Telomere_res) 		5 ILE A 279
LEU A 236
GLY A 245
PHE A 265
ALA A 263
 None
 1.04A 6ieyA-4f41A:
undetectable
6ieyB-4f41A:
undetectable		 6ieyA-4f41A:
21.47
6ieyB-4f41A:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hds ARSA
ARSB

(Sporomusa
ovata;
Sporomusa ovata) 		PF02277
(DBI_PRT)
PF02277
(DBI_PRT) 		5 HIS A 291
GLY A 322
SER A 324
PHE B  37
ALA B 316
 None
 1.16A 6ieyA-4hdsA:
4.9
6ieyB-4hdsA:
3.4		 6ieyA-4hdsA:
22.16
6ieyB-4hdsA:
22.16
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.
4hvl MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
thermoresistibile) 		PF00082
(Peptidase_S8) 		5 ILE A 234
ALA A 271
GLY A 238
SER A 293
ALA A 336
 None
None
ACT  A 512 ( 4.3A)
None
None
 1.29A 6ieyA-4hvlA:
4.0
6ieyB-4hvlA:
3.9		 6ieyA-4hvlA:
22.86
6ieyB-4hvlA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i66 UNCHARACTERIZED
PROTEIN HOCH_4089

(Haliangium
ochraceum) 		PF13709
(DUF4159) 		5 ILE A  46
ALA A  39
TYR A  87
LEU A  88
ALA A  50
 None
 1.12A 6ieyA-4i66A:
2.9
6ieyB-4i66A:
3.0		 6ieyA-4i66A:
23.03
6ieyB-4i66A:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ir8 SEDOHEPTULOSE-1,7
BISPHOSPHATASE,
PUTATIVE

(Toxoplasma
gondii) 		PF00316
(FBPase) 		5 ILE A 127
ASP A  20
ALA A  19
PHE A 102
ALA A  81
 None
 1.20A 6ieyA-4ir8A:
undetectable
6ieyB-4ir8A:
undetectable		 6ieyA-4ir8A:
23.40
6ieyB-4ir8A:
23.40
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.
4lru GLYOXALASE III
(GLUTATHIONE-INDEPEN
DENT)

(Candida
albicans) 		PF01965
(DJ-1_PfpI) 		5 ILE A  43
LEU A   8
GLY A 102
SER A 133
ALA A 226
 None
 1.25A 6ieyA-4lruA:
2.6
6ieyB-4lruA:
3.2		 6ieyA-4lruA:
22.39
6ieyB-4lruA:
22.39
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.
4lyp EXO-BETA-1,4-MANNOSI
DASE

(Rhizomucor
miehei) 		no annotation 5 ILE A 173
ALA A 200
TYR A 126
GLY A 122
SER A 120
 None
 1.29A 6ieyA-4lypA:
undetectable
6ieyB-4lypA:
undetectable		 6ieyA-4lypA:
21.62
6ieyB-4lypA:
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.
4m69 RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 3

(Mus musculus) 		PF00069
(Pkinase) 		5 ASP A 143
LEU A 132
GLY A 163
SER A 165
ALA A 203
 ANP  A 401 (-2.6A)
None
None
None
None
 1.25A 6ieyA-4m69A:
undetectable
6ieyB-4m69A:
undetectable		 6ieyA-4m69A:
23.63
6ieyB-4m69A:
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.
4n9x PUTATIVE
MONOOXYGENASE

(Pectobacterium
atrosepticum) 		PF01494
(FAD_binding_3) 		5 ILE A 211
LEU A 297
HIS A 295
GLY A 301
ALA A 187
 None
 1.24A 6ieyA-4n9xA:
undetectable
6ieyB-4n9xA:
undetectable		 6ieyA-4n9xA:
23.44
6ieyB-4n9xA:
23.44
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.
4nbr HYPOTHETICAL
3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		5 ILE A  74
ALA A 102
GLY A 133
SER A  79
ALA A  83
 None
 1.12A 6ieyA-4nbrA:
4.6
6ieyB-4nbrA:
4.9		 6ieyA-4nbrA:
23.19
6ieyB-4nbrA:
23.19
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.
4ni5 OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Brucella suis) 		PF13561
(adh_short_C2) 		5 HIS A 142
LEU A 211
HIS A 206
GLY A 184
SER A 140
 None
 1.23A 6ieyA-4ni5A:
5.5
6ieyB-4ni5A:
5.5		 6ieyA-4ni5A:
23.68
6ieyB-4ni5A:
23.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae) 		PF07859
(Abhydrolase_3) 		7 ILE A  84
ASP A 150
LEU A 198
HIS A 274
GLY A 275
PHE A  31
ALA A  35
 None
 0.59A 6ieyA-4p9nA:
40.4
6ieyB-4p9nA:
40.4		 6ieyA-4p9nA:
37.50
6ieyB-4p9nA:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae) 		PF07859
(Abhydrolase_3) 		7 ILE A  84
ASP A 150
LEU A 198
HIS A 274
GLY A 275
SER A 278
PHE A  31
 None
 0.69A 6ieyA-4p9nA:
40.4
6ieyB-4p9nA:
40.4		 6ieyA-4p9nA:
37.50
6ieyB-4p9nA:
37.50
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.
4qre METHIONYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 HIS A 299
LEU A  19
HIS A  23
GLY A  22
ALA A  29
 ATP  A 602 (-4.6A)
None
ATP  A 602 (-3.9A)
ATP  A 602 (-3.6A)
None
 1.11A 6ieyA-4qreA:
2.4
6ieyB-4qreA:
2.5		 6ieyA-4qreA:
19.61
6ieyB-4qreA:
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.
4r8l UNCHARACTERIZED
PROTEIN

(Cavia porcellus) 		PF00710
(Asparaginase) 		5 LEU A 139
HIS A 114
GLY A 115
PHE A 197
ALA A 196
 None
None
ASP  A 700 (-3.4A)
None
None
 1.15A 6ieyA-4r8lA:
undetectable
6ieyB-4r8lA:
undetectable		 6ieyA-4r8lA:
20.96
6ieyB-4r8lA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rul DNA TOPOISOMERASE 1

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01396
(zf-C4_Topoisom)
PF01751
(Toprim)
PF08272
(Topo_Zn_Ribbon) 		5 ILE A 394
ALA A 400
GLY A 281
PHE A 284
ALA A 292
 None
 1.15A 6ieyA-4rulA:
undetectable
6ieyB-4rulA:
undetectable		 6ieyA-4rulA:
17.94
6ieyB-4rulA:
17.94
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.
4u28 PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
sviceus) 		PF00977
(His_biosynth) 		5 ASP A 175
LEU A 178
GLY A 202
SER A 200
ALA A  13
 PO4  A 301 (-3.4A)
None
PO4  A 301 (-3.7A)
PO4  A 301 ( 4.4A)
None
 1.26A 6ieyA-4u28A:
undetectable
6ieyB-4u28A:
undetectable		 6ieyA-4u28A:
25.53
6ieyB-4u28A:
25.53
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.
4u8u GLOBIN C CHAIN

(Glossoscolex
paulistus) 		PF00042
(Globin) 		5 ILE C 114
HIS C 100
ALA C  75
PHE C 111
ALA C 146
 HEM  C 201 (-3.6A)
HEM  C 201 (-3.2A)
HEM  C 201 (-3.6A)
HEM  C 201 (-3.7A)
None
 1.28A 6ieyA-4u8uC:
undetectable
6ieyB-4u8uC:
undetectable		 6ieyA-4u8uC:
17.08
6ieyB-4u8uC:
17.08
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.
4umv ZINC-TRANSPORTING
ATPASE

(Shigella sonnei) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 ILE A 481
HIS A 475
ALA A 519
GLY A 505
ALA A 473
 None
 1.17A 6ieyA-4umvA:
3.2
6ieyB-4umvA:
3.3		 6ieyA-4umvA:
20.58
6ieyB-4umvA:
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.
4w1t COPPER OXIDASE

(Streptomyces
sviceus) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 132
ASP A 104
GLY A 102
SER A 146
ALA A 144
 GOL  A 401 ( 4.9A)
GOL  A 401 ( 4.7A)
None
None
None
 1.13A 6ieyA-4w1tA:
undetectable
6ieyB-4w1tA:
undetectable		 6ieyA-4w1tA:
22.22
6ieyB-4w1tA:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wy5 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		5 HIS A  99
ASP A 160
LEU A 213
HIS A 292
GLY A 293
 None
 0.63A 6ieyA-4wy5A:
34.8
6ieyB-4wy5A:
34.9		 6ieyA-4wy5A:
36.18
6ieyB-4wy5A:
36.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wy8 ESTERASE

(Rhizomucor
miehei) 		PF07859
(Abhydrolase_3) 		6 HIS A 100
ASP A 163
TYR A 212
LEU A 213
HIS A 291
GLY A 292
 None
 0.65A 6ieyA-4wy8A:
37.9
6ieyB-4wy8A:
38.1		 6ieyA-4wy8A:
38.32
6ieyB-4wy8A:
38.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ypv EST8

(Parvibaculum) 		PF07859
(Abhydrolase_3) 		7 ILE A  91
HIS A  97
ASP A 158
LEU A 208
HIS A 283
GLY A 284
ALA A  38
 None
 0.50A 6ieyA-4ypvA:
42.8
6ieyB-4ypvA:
42.9		 6ieyA-4ypvA:
42.78
6ieyB-4ypvA:
42.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b5u L-ASPARAGINASE

(Pyrococcus
furiosus) 		PF00710
(Asparaginase) 		5 ASP A  84
HIS A  81
GLY A  82
PHE A 163
ALA A 162
 ASP  A 201 (-3.4A)
None
ASP  A 201 (-3.1A)
None
None
 1.32A 6ieyA-5b5uA:
3.7
6ieyB-5b5uA:
3.8		 6ieyA-5b5uA:
23.40
6ieyB-5b5uA:
23.40
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.
5dne L-ASPARAGINASE

(Cavia porcellus) 		PF00710
(Asparaginase) 		5 LEU A 139
HIS A 114
GLY A 115
PHE A 197
ALA A 196
 None
None
ASN  A 601 (-3.2A)
None
None
 1.12A 6ieyA-5dneA:
undetectable
6ieyB-5dneA:
2.5		 6ieyA-5dneA:
19.46
6ieyB-5dneA:
19.46
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.
5dxf TREHALOSE-6-PHOSPHAT
E PHOSPHATASE

(Candida
albicans) 		PF00982
(Glyco_transf_20) 		5 ILE A 334
ASP A 338
LEU A 350
GLY A 345
SER A 432
 None
 0.95A 6ieyA-5dxfA:
3.0
6ieyB-5dxfA:
5.2		 6ieyA-5dxfA:
21.75
6ieyB-5dxfA:
21.75
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.
5dzz DESMOPLAKIN

(Homo sapiens) 		PF00681
(Plectin) 		5 ILE A2058
LEU A2198
GLY A2016
SER A2131
ALA A2051
 None
 1.19A 6ieyA-5dzzA:
undetectable
6ieyB-5dzzA:
undetectable		 6ieyA-5dzzA:
21.00
6ieyB-5dzzA:
21.00
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.
5fsr D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACD

(Escherichia
coli) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 ASP A 118
ALA A 115
LEU A  89
GLY A  70
PHE A  81
 None
 1.21A 6ieyA-5fsrA:
undetectable
6ieyB-5fsrA:
undetectable		 6ieyA-5fsrA:
23.60
6ieyB-5fsrA:
23.60
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.
5gs2 REPEBODY

(Escherichia
coli) 		PF11921
(DUF3439)
PF12354
(Internalin_N)
PF13855
(LRR_8) 		5 ILE B  59
ALA B  69
LEU B  92
GLY B  71
SER B  51
 None
 1.24A 6ieyA-5gs2B:
undetectable
6ieyB-5gs2B:
undetectable		 6ieyA-5gs2B:
20.00
6ieyB-5gs2B:
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.
5inw PUTATIVE
ANGIOTENSINOGEN
C-TERMINAL PEPTIDE
OF PUTATIVE
ANGIOTENSINOGEN

(Lampetra
fluviatilis;
Lampetra
fluviatilis) 		PF00079
(Serpin)
PF00079
(Serpin) 		5 ILE C 434
LEU A 160
GLY A 171
PHE C 444
ALA A 409
 None
 1.33A 6ieyA-5inwC:
undetectable
6ieyB-5inwC:
undetectable		 6ieyA-5inwC:
9.96
6ieyB-5inwC:
9.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jd4 LAE6

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		8 ILE A  93
HIS A  99
ASP A 160
ALA A 161
LEU A 210
HIS A 286
GLY A 287
SER A 290
 None
None
None
BAM  A 407 (-3.1A)
BAM  A 407 (-4.3A)
BAM  A 407 (-3.9A)
None
None
 0.49A 6ieyA-5jd4A:
39.6
6ieyB-5jd4A:
39.7		 6ieyA-5jd4A:
40.91
6ieyB-5jd4A:
40.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mif 'CARBOXYL ESTERASE 2

(Tuber
melanosporum) 		PF07859
(Abhydrolase_3) 		5 ASP A 189
LEU A 239
HIS A 317
GLY A 318
SER A 321
 None
 0.52A 6ieyA-5mifA:
37.7
6ieyB-5mifA:
37.9		 6ieyA-5mifA:
31.22
6ieyB-5mifA:
31.22
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.
5mkm TWO-DOMAIN LACCASE

(Streptomyces
griseoflavus) 		no annotation 5 HIS A 136
ASP A 108
GLY A 106
SER A 150
ALA A 148
 None
 1.17A 6ieyA-5mkmA:
undetectable
6ieyB-5mkmA:
undetectable		 6ieyA-5mkmA:
undetectable
6ieyB-5mkmA:
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.
5n1t FLAVIN-BINDING
SUBUNIT OF SULFIDE
DEHYDROGENASE
CYTOCHROME C

(Thioalkalivibrio
paradoxus;
Thioalkalivibrio
paradoxus) 		no annotation
no annotation 		5 ALA B   8
HIS B  71
GLY B   4
PHE A  55
ALA A 344
 None
 1.32A 6ieyA-5n1tB:
undetectable
6ieyB-5n1tB:
undetectable		 6ieyA-5n1tB:
undetectable
6ieyB-5n1tB:
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.
5o82 INTRACELLULAR
EXO-ALPHA-(1->5)-L-A
RABINOFURANOSIDASE

(Chaetomium
thermophilum) 		no annotation 5 ILE A 239
ALA A 232
TYR A 188
LEU A 170
GLY A 189
 None
 1.34A 6ieyA-5o82A:
undetectable
6ieyB-5o82A:
undetectable		 6ieyA-5o82A:
undetectable
6ieyB-5o82A:
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.
5ovn POL PROTEIN

(Feline
immunodeficiency
virus) 		no annotation 5 ILE A 348
ALA A  97
HIS A  95
SER A 379
ALA A 326
 None
 1.35A 6ieyA-5ovnA:
undetectable
6ieyB-5ovnA:
undetectable		 6ieyA-5ovnA:
undetectable
6ieyB-5ovnA:
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.
5t1p ABC TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
PROTEIN

(Campylobacter
jejuni) 		PF13343
(SBP_bac_6) 		5 ASP A 228
ALA A 136
TYR A 234
GLY A 231
ALA A  46
 None
 1.27A 6ieyA-5t1pA:
undetectable
6ieyB-5t1pA:
undetectable		 6ieyA-5t1pA:
24.38
6ieyB-5t1pA:
24.38
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.
5tlc DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME A

(Bacillus
subtilis) 		PF00296
(Bac_luciferase) 		5 ALA A  10
LEU A  47
GLY A 102
SER A 133
ALA A 105
 None
 1.28A 6ieyA-5tlcA:
undetectable
6ieyB-5tlcA:
undetectable		 6ieyA-5tlcA:
23.13
6ieyB-5tlcA:
23.13
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.
5tuf TETRACYCLINE
DESTRUCTASE TET(50)

(uncultured
bacterium) 		PF01494
(FAD_binding_3) 		5 ILE A   5
ALA A 326
LEU A 312
GLY A 314
PHE A  28
 None
 1.25A 6ieyA-5tufA:
undetectable
6ieyB-5tufA:
undetectable		 6ieyA-5tufA:
21.93
6ieyB-5tufA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tum TETRACYCLINE
DESTRUCTASE TET(56)

(Legionella
longbeachae) 		PF01494
(FAD_binding_3) 		5 ILE A   5
ALA A 326
LEU A 312
GLY A 314
PHE A  28
 None
 1.26A 6ieyA-5tumA:
undetectable
6ieyB-5tumA:
undetectable		 6ieyA-5tumA:
20.94
6ieyB-5tumA:
20.94
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.
6cbl NEAMINE TRANSAMINASE
NEON

(Streptomyces
fradiae) 		no annotation 5 ILE A 265
ASP A  72
ALA A  67
GLY A  73
SER A  79
 None
 1.29A 6ieyA-6cblA:
undetectable
6ieyB-6cblA:
undetectable		 6ieyA-6cblA:
undetectable
6ieyB-6cblA:
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.
6g1i -

(-) 		no annotation 5 ILE A 267
ALA A 274
LEU A 291
GLY A 293
ALA A 229
 OHI  A 264 ( 4.0A)
None
None
None
None
 1.25A 6ieyA-6g1iA:
undetectable
6ieyB-6g1iA:
undetectable		 6ieyA-6g1iA:
undetectable
6ieyB-6g1iA:
undetectable