SIMILAR PATTERNS OF AMINO ACIDS FOR 5DXE_B_ESTB1000

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.
1akm ORNITHINE
TRANSCARBAMYLASE

(Escherichia
coli) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 LEU A  19
ALA A 175
LEU A 137
LEU A 138
LEU A  12
 None
 1.43A 5dxeB-1akmA:
undetectable		 5dxeB-1akmA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 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 LEU A 134
ALA A 129
LEU A 125
LEU A 119
ARG A  27
 None
 1.46A 5dxeB-1cw0A:
undetectable		 5dxeB-1cw0A:
22.61
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.
1dcq PYK2-ASSOCIATED
PROTEIN BETA

(Mus musculus) 		PF01412
(ArfGap)
PF12796
(Ank_2) 		5 LEU A 314
GLU A 254
LEU A 521
ARG A 257
HIS A 514
 None
 1.41A 5dxeB-1dcqA:
undetectable		 5dxeB-1dcqA:
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.
1eg3 DYSTROPHIN

(Homo sapiens) 		PF00397
(WW)
PF09068
(EF-hand_2)
PF09069
(EF-hand_3) 		5 LEU A 148
LEU A 179
LEU A  53
ARG A  63
HIS A 136
 None
 1.20A 5dxeB-1eg3A:
0.0		 5dxeB-1eg3A:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g0v PROTEINASE A

(Saccharomyces
cerevisiae) 		PF00026
(Asp) 		5 ALA A 212
GLU A 191
LEU A 298
ARG A 186
LEU A 223
 None
 1.17A 5dxeB-1g0vA:
undetectable		 5dxeB-1g0vA:
20.63
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.
1j27 HYPOTHETICAL PROTEIN
TT1725

(Thermus
thermophilus) 		PF04456
(DUF503) 		5 LEU A  44
ALA A  10
LEU A   7
ARG A  92
LEU A  30
 None
 1.48A 5dxeB-1j27A:
undetectable		 5dxeB-1j27A:
17.46
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.
1jog HYPOTHETICAL PROTEIN
HI0074

(Haemophilus
influenzae) 		PF08780
(NTase_sub_bind) 		5 LEU A  84
ALA A  87
GLU A  86
LEU A  65
LEU A 135
 None
 1.46A 5dxeB-1jogA:
undetectable		 5dxeB-1jogA:
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.
1lox 15-LIPOXYGENASE

(Oryctolagus
cuniculus) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 LEU A 358
ALA A 433
LEU A 281
LEU A 282
HIS A 356
 None
 1.17A 5dxeB-1loxA:
undetectable		 5dxeB-1loxA:
17.58
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.
1o8c YHDH

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A  98
ALA A   3
LEU A   5
MET A  59
LEU A   6
 None
 1.44A 5dxeB-1o8cA:
undetectable		 5dxeB-1o8cA:
21.84
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.
1odg DNA MISMATCH
ENDONUCLEASE

(Escherichia
coli) 		PF03852
(Vsr) 		5 LEU A 134
ALA A 129
LEU A 125
LEU A 119
ARG A  27
 None
 1.36A 5dxeB-1odgA:
undetectable		 5dxeB-1odgA:
19.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		10 MET A 343
LEU A 346
ALA A 350
GLU A 353
LEU A 387
MET A 388
LEU A 391
ARG A 394
HIS A 524
LEU A 525
 EST  A   1 ( 4.0A)
EST  A   1 (-4.4A)
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
EST  A   1 (-4.0A)
None
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 (-3.8A)
EST  A   1 (-3.6A)
 0.27A 5dxeB-1pcgA:
37.3		 5dxeB-1pcgA:
98.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 MET A 343
LEU A 346
LEU A 402
HIS A 524
LEU A 525
 EST  A   1 ( 4.0A)
EST  A   1 (-4.4A)
None
EST  A   1 (-3.8A)
EST  A   1 (-3.6A)
 1.32A 5dxeB-1pcgA:
37.3		 5dxeB-1pcgA:
98.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sgv TRNA PSEUDOURIDINE
SYNTHASE B

(Mycobacterium
tuberculosis) 		PF01509
(TruB_N)
PF09142
(TruB_C)
PF16198
(TruB_C_2) 		5 ALA A 231
GLU A 230
LEU A 226
LEU A 224
LEU A  63
 None
 1.12A 5dxeB-1sgvA:
undetectable		 5dxeB-1sgvA:
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.
1svd RIBULOSE
BISPHOSPHATE
CARBOXYLASE SMALL
CHAIN
RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE/OXYGENAS
E LARGE SUBUNIT

(Halothiobacillus
neapolitanus) 		PF00016
(RuBisCO_large)
PF00101
(RuBisCO_small)
PF02788
(RuBisCO_large_N) 		5 MET A 380
ALA A 419
GLU A 422
LEU M  19
LEU A 448
 None
 1.50A 5dxeB-1svdA:
undetectable		 5dxeB-1svdA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ugo BCL2-ASSOCIATED
ATHANOGENE 5

(Mus musculus) 		PF02179
(BAG) 		5 ALA A  79
GLU A  83
LEU A  57
LEU A  53
LEU A  20
 None
 1.08A 5dxeB-1ugoA:
undetectable		 5dxeB-1ugoA:
16.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xb7 STEROID HORMONE
RECEPTOR ERR1

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 324
GLU A 331
LEU A 365
ARG A 372
HIS A 494
 None
 0.56A 5dxeB-1xb7A:
29.1		 5dxeB-1xb7A:
32.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7e PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF01370
(Epimerase)
PF02911
(Formyl_trans_C) 		5 LEU A 165
ALA A 168
LEU A 148
HIS A 104
LEU A 103
 None
 1.30A 5dxeB-1z7eA:
undetectable		 5dxeB-1z7eA:
17.47
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.
2cfb GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Synechococcus
elongatus) 		PF00202
(Aminotran_3) 		5 ALA A 404
LEU A 408
LEU A 411
HIS A 368
LEU A 378
 None
 1.43A 5dxeB-2cfbA:
undetectable		 5dxeB-2cfbA:
21.23
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.
2g7l TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		5 ALA A  28
LEU A  66
ARG A  21
HIS A 107
LEU A  37
 None
 1.46A 5dxeB-2g7lA:
undetectable		 5dxeB-2g7lA:
26.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 268
ALA A 272
GLU A 275
LEU A 309
ARG A 316
HIS A 434
 OHT  A 500 (-4.1A)
OHT  A 500 (-3.5A)
OHT  A 500 (-2.6A)
OHT  A 500 ( 4.0A)
OHT  A 500 (-3.8A)
OHT  A 500 ( 4.7A)
 0.66A 5dxeB-2gpvA:
27.2		 5dxeB-2gpvA:
36.40
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.
2hx0 PUTATIVE DNA-BINDING
PROTEIN

(Salmonella
enterica) 		PF03479
(DUF296) 		5 ALA A  40
GLU A 117
LEU A  37
ARG A 141
LEU A  28
 None
 1.26A 5dxeB-2hx0A:
undetectable		 5dxeB-2hx0A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ja2 GLUTAMYL-TRNA
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00749
(tRNA-synt_1c) 		5 LEU A  23
ALA A  27
LEU A  65
LEU A  61
LEU A 284
 None
 1.31A 5dxeB-2ja2A:
undetectable		 5dxeB-2ja2A:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lfd DIIRON PROTEIN

(Escherichia
coli) 		no annotation 5 LEU A  96
ALA A  94
LEU A  22
LEU A  18
LEU A  33
 None
 1.22A 5dxeB-2lfdA:
undetectable		 5dxeB-2lfdA:
21.16
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.
2nyp BETA-LACTAMASE II

(Bacillus cereus) 		PF00753
(Lactamase_B) 		5 LEU A 169
GLU A 194
LEU A 223
LEU A 219
LEU A 178
 None
 1.43A 5dxeB-2nypA:
undetectable		 5dxeB-2nypA:
20.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		10 MET A 343
LEU A 346
ALA A 350
GLU A 353
LEU A 387
MET A 388
LEU A 391
ARG A 394
HIS A 524
LEU A 525
 EST  A 596 (-4.8A)
EST  A 596 (-4.4A)
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
EST  A 596 ( 4.2A)
None
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
 0.39A 5dxeB-2ocfA:
36.8		 5dxeB-2ocfA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 MET A 343
LEU A 346
LEU A 402
HIS A 524
LEU A 525
 EST  A 596 (-4.8A)
EST  A 596 (-4.4A)
None
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
 1.31A 5dxeB-2ocfA:
36.8		 5dxeB-2ocfA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2psm INTERLEUKIN-15
INTERLEUKIN-15
RECEPTOR ALPHA CHAIN

(Mus musculus) 		PF02372
(IL15)
no annotation 		5 LEU A  25
ALA F  38
LEU A  45
LEU A  47
LEU A  91
 None
 1.45A 5dxeB-2psmA:
undetectable		 5dxeB-2psmA:
17.24
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.
2pz8 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Bacillus
anthracis) 		PF02540
(NAD_synthase) 		5 LEU A  58
ALA A  62
GLU A  65
ARG A  24
LEU A 179
 None
 1.35A 5dxeB-2pz8A:
undetectable		 5dxeB-2pz8A:
21.03
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.
2xts SULFITE
DEHYDROGENASE

(Paracoccus
pantotrophus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 LEU A 197
ALA A 200
LEU A 139
MET A 130
LEU A 129
 None
 1.28A 5dxeB-2xtsA:
undetectable		 5dxeB-2xtsA:
19.80
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.
3e8j COPROPORPHYRINOGEN
III OXIDASE

(Leishmania
naiffi) 		PF01218
(Coprogen_oxidas) 		5 ALA A 180
GLU A 179
LEU A 290
ARG A 237
HIS A 146
 None
 1.38A 5dxeB-3e8jA:
undetectable		 5dxeB-3e8jA:
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.
3ec4 PUTATIVE
ACETYLTRANSFERASE
FROM THE GNAT FAMILY

(Novosphingobium
aromaticivorans) 		PF08445
(FR47) 		5 LEU A  29
ALA A  40
LEU A  63
ARG A   9
LEU A  54
 None
 1.33A 5dxeB-3ec4A:
undetectable		 5dxeB-3ec4A:
23.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ego PROBABLE
2-DEHYDROPANTOATE
2-REDUCTASE

(Bacillus
subtilis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 ALA A 217
GLU A 216
LEU A 280
LEU A 283
LEU A 180
 None
 1.29A 5dxeB-3egoA:
undetectable		 5dxeB-3egoA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f8t PREDICTED ATPASE
INVOLVED IN
REPLICATION CONTROL,
CDC46/MCM FAMILY

(Methanopyrus
kandleri) 		PF00493
(MCM) 		5 LEU A 304
ALA A 344
LEU A 255
LEU A 259
LEU A 271
 None
 1.36A 5dxeB-3f8tA:
undetectable		 5dxeB-3f8tA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fd5 SELENIDE, WATER
DIKINASE 1

(Homo sapiens) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ALA A 155
GLU A 154
LEU A 247
ARG A 101
LEU A 111
 None
 1.35A 5dxeB-3fd5A:
undetectable		 5dxeB-3fd5A:
21.39
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.
3gre SERINE/THREONINE-PRO
TEIN KINASE VPS15

(Saccharomyces
cerevisiae) 		no annotation 5 LEU A1071
ALA A1073
LEU A1075
MET A1076
LEU A1449
 None
 1.50A 5dxeB-3greA:
undetectable		 5dxeB-3greA:
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.
3h3z CYCLIC
NUCLEOTIDE-BINDING
PROTEIN

(Ruegeria
pomeroyi) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		5 LEU A  15
ALA A  10
LEU A  28
LEU A  27
HIS A  53
 None
 1.43A 5dxeB-3h3zA:
undetectable		 5dxeB-3h3zA:
23.02
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.
3kn1 GOLGI PHOSPHOPROTEIN
3

(Homo sapiens) 		PF05719
(GPP34) 		5 LEU A 133
ALA A 136
GLU A 135
ARG A 176
LEU A  94
 None
 1.30A 5dxeB-3kn1A:
undetectable		 5dxeB-3kn1A:
23.45
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.
3kn1 GOLGI PHOSPHOPROTEIN
3

(Homo sapiens) 		PF05719
(GPP34) 		5 LEU A 133
ALA A 136
GLU A 135
LEU A 170
LEU A  94
 None
 1.15A 5dxeB-3kn1A:
undetectable		 5dxeB-3kn1A:
23.45
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.
3kye ROADBLOCK/LC7
DOMAIN, ROBL_LC7

(Streptomyces
avermitilis) 		PF03259
(Robl_LC7) 		5 LEU A  16
MET A  17
LEU A  20
ARG A  23
LEU A 128
 None
 1.21A 5dxeB-3kyeA:
undetectable		 5dxeB-3kyeA:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l09 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Jannaschia sp.
CCS1) 		PF07848
(PaaX) 		5 LEU A  11
ALA A  14
GLU A  18
LEU A  21
ARG A 215
 None
None
None
SO4  A 266 (-4.6A)
SO4  A 266 (-4.1A)
 1.40A 5dxeB-3l09A:
undetectable		 5dxeB-3l09A:
23.67
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.
3l2h PUTATIVE SUGAR
PHOSPHATE ISOMERASE

(Acidithiobacillus
ferrooxidans) 		PF07883
(Cupin_2) 		5 GLU A  12
LEU A   8
LEU A   7
ARG A   4
LEU A  49
 None
None
None
None
CXS  A 164 (-4.4A)
 1.48A 5dxeB-3l2hA:
undetectable		 5dxeB-3l2hA:
23.48
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.
3l77 SHORT-CHAIN ALCOHOL
DEHYDROGENASE

(Thermococcus
sibiricus) 		PF00106
(adh_short) 		5 LEU A 212
ALA A 207
GLU A 206
ARG A  23
LEU A 176
 GOL  A 248 (-4.6A)
None
None
None
None
 1.43A 5dxeB-3l77A:
undetectable		 5dxeB-3l77A:
21.38
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.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		5 LEU B 375
ALA B 378
LEU B 408
HIS B 575
LEU B 539
 None
 1.16A 5dxeB-3p8cB:
undetectable		 5dxeB-3p8cB:
13.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q0g ENOYL-COA HYDRATASE
ECHA8

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1) 		5 ALA A 170
GLU A 169
LEU A 158
ARG A 163
LEU A 119
 None
 1.38A 5dxeB-3q0gA:
undetectable		 5dxeB-3q0gA:
22.82
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.
3rde ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Sus scrofa) 		PF00305
(Lipoxygenase) 		5 LEU A 358
ALA A 433
LEU A 281
LEU A 282
HIS A 356
 None
 1.09A 5dxeB-3rdeA:
undetectable		 5dxeB-3rdeA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rrv ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 MET A   4
ALA A  39
GLU A  91
MET A  96
ARG A  98
 None
 1.48A 5dxeB-3rrvA:
undetectable		 5dxeB-3rrvA:
20.06
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.
3t3o METAL DEPENDENT
HYDROLASE

(Thermus
thermophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 LEU A  73
ALA A 103
LEU A 126
ARG A 111
LEU A 145
 None
 1.47A 5dxeB-3t3oA:
undetectable		 5dxeB-3t3oA:
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.
3ugk SACCHAROPINE
DEHYDROGENASE [NAD+,
L-LYSINE-FORMING]

(Saccharomyces
cerevisiae) 		PF05222
(AlaDh_PNT_N) 		5 LEU A  21
ALA A  19
GLU A  11
LEU A  76
ARG A   9
 None
 1.23A 5dxeB-3ugkA:
undetectable		 5dxeB-3ugkA:
19.47
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		5 ALA A 719
GLU A 718
LEU A 714
ARG A 700
LEU A 770
 None
MG  A2006 ( 2.7A)
None
None
None
 1.45A 5dxeB-3ummA:
undetectable		 5dxeB-3ummA:
12.44
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		5 LEU A 190
ALA A 193
LEU A 197
LEU A 600
LEU A 163
 None
 1.37A 5dxeB-3ummA:
undetectable		 5dxeB-3ummA:
12.44
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.
4b3g DNA-BINDING PROTEIN
SMUBP-2

(Homo sapiens) 		PF13086
(AAA_11)
PF13087
(AAA_12) 		5 LEU A 389
GLU A 382
MET A 423
LEU A 426
ARG A 425
 None
 1.45A 5dxeB-4b3gA:
undetectable		 5dxeB-4b3gA:
17.58
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.
4eei ADENYLOSUCCINATE
LYASE

(Francisella
tularensis) 		PF00206
(Lyase_1) 		5 ALA A  33
GLU A  32
LEU A  28
ARG A  48
LEU A 190
 None
 1.44A 5dxeB-4eeiA:
2.5		 5dxeB-4eeiA:
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.
4gx8 DNA POLYMERASE III
SUBUNIT EPSILON,DNA
POLYMERASE III
SUBUNIT ALPHA

(Escherichia
coli) 		PF02811
(PHP) 		5 LEU A  79
ALA A  77
LEU A  33
HIS A  53
LEU A  84
 None
 1.23A 5dxeB-4gx8A:
undetectable		 5dxeB-4gx8A:
22.13
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.
4hzu ENERGY-COUPLING
FACTOR TRANSPORTER
TRANSMEMBRANE
PROTEIN ECFT
PREDICTED MEMBRANE
PROTEIN

(Lactobacillus
brevis) 		PF02361
(CbiQ)
PF07155
(ECF-ribofla_trS) 		5 ALA T 175
GLU T 174
LEU T 208
ARG T 215
LEU S  39
 None
 1.35A 5dxeB-4hzuT:
undetectable		 5dxeB-4hzuT:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iv5 ASPARTATE
CARBAMOYLTRANSFERASE
, PUTATIVE

(Trypanosoma
cruzi) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ALA A 123
GLU A 122
LEU A  96
ARG A 116
LEU A 110
 None
 1.38A 5dxeB-4iv5A:
undetectable		 5dxeB-4iv5A:
21.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		5 LEU A 283
ALA A 287
GLU A 290
LEU A 324
ARG A 331
 None
 0.35A 5dxeB-4n1yA:
31.6		 5dxeB-4n1yA:
38.91
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.
4oyd APOPTOSIS REGULATOR
BHRF1

(Human
gammaherpesvirus
4) 		PF00452
(Bcl-2) 		5 LEU A  31
ALA A  33
LEU A  10
HIS A  26
LEU A  25
 None
 1.29A 5dxeB-4oydA:
undetectable		 5dxeB-4oydA:
26.50
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.
4p47 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Ochrobactrum
anthropi) 		PF03480
(DctP) 		5 MET A 133
LEU A 136
LEU A  83
LEU A  80
LEU A 144
 None
 1.32A 5dxeB-4p47A:
undetectable		 5dxeB-4p47A:
22.19
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.
4q4g PEPTIDOGLYCAN
ENDOPEPTIDASE RIPA

(Mycobacterium
tuberculosis) 		PF00877
(NLPC_P60) 		5 LEU X1188
ALA X1183
GLU X1182
LEU X1009
ARG X1196
 None
 1.48A 5dxeB-4q4gX:
undetectable		 5dxeB-4q4gX:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q5n GLUTHATIONE
S-TRANSFERASE BLO T
8 ISOFORM

(Blomia
tropicalis) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 MET A  90
GLU A 105
LEU A 171
HIS A  24
LEU A  21
 None
 1.37A 5dxeB-4q5nA:
undetectable		 5dxeB-4q5nA:
21.94
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.
4quk DIHYDROFLAVONOL-4-RE
DUCTASE

(Medicago
truncatula) 		PF01370
(Epimerase) 		5 ALA A 235
LEU A  26
LEU A  27
HIS A  49
LEU A 200
 None
 1.36A 5dxeB-4qukA:
undetectable		 5dxeB-4qukA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s38 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF04551
(GcpE) 		5 LEU A 175
LEU A 157
MET A 158
ARG A 164
LEU A 149
 None
 1.44A 5dxeB-4s38A:
undetectable		 5dxeB-4s38A:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tx2 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Actinoplanes
teichomyceticus) 		PF00668
(Condensation) 		5 MET B 259
LEU B 262
ALA B 265
LEU B 319
LEU B 441
 None
 1.03A 5dxeB-4tx2B:
undetectable		 5dxeB-4tx2B:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tx2 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Actinoplanes
teichomyceticus) 		PF00668
(Condensation) 		5 MET B 259
LEU B 262
ALA B 266
HIS B 245
LEU B 240
 None
 1.40A 5dxeB-4tx2B:
undetectable		 5dxeB-4tx2B:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 769
ALA A 773
LEU A 810
LEU A 814
ARG A 817
 CV7  A1987 (-4.1A)
CV7  A1987 (-3.5A)
CV7  A1987 (-4.0A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
 0.26A 5dxeB-4udbA:
27.9		 5dxeB-4udbA:
27.40
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.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		5 LEU A 305
LEU A 296
LEU A 286
ARG A 272
LEU A 159
 None
None
None
None
VFV  A 580 (-4.5A)
 1.27A 5dxeB-4uhiA:
2.4		 5dxeB-4uhiA:
21.11
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.
4uvk ZYRO0D15994P

(Zygosaccharomyces
rouxii) 		PF08514
(STAG) 		5 LEU A 947
ALA A 949
GLU A 945
LEU A 956
LEU A 966
 None
 1.50A 5dxeB-4uvkA:
undetectable		 5dxeB-4uvkA:
14.59
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.
4wmh HEME OXYGENASE 2

(Homo sapiens) 		PF01126
(Heme_oxygenase) 		5 ALA A  93
LEU A 209
LEU A  33
HIS A 152
LEU A 149
 None
 1.43A 5dxeB-4wmhA:
undetectable		 5dxeB-4wmhA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wmh HEME OXYGENASE 2

(Homo sapiens) 		PF01126
(Heme_oxygenase) 		5 ALA A  93
LEU A 209
MET A 206
HIS A 152
LEU A 149
 None
 1.49A 5dxeB-4wmhA:
undetectable		 5dxeB-4wmhA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zrq TRANSCOBALAMIN-2

(Homo sapiens) 		PF01122
(Cobalamin_bind)
PF14478
(DUF4430) 		5 LEU A 250
ALA A 248
LEU A 245
MET A   2
LEU A 232
 None
 1.41A 5dxeB-4zrqA:
undetectable		 5dxeB-4zrqA:
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.
5a42 UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF11974
(MG1) 		5 ALA A1434
LEU A1393
MET A1392
LEU A1395
LEU A1386
 None
 1.13A 5dxeB-5a42A:
undetectable		 5dxeB-5a42A:
10.09
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.
5c1i TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI

(Thermus
thermophilus) 		PF08704
(GCD14) 		5 LEU A 191
ALA A 248
LEU A  88
MET A  85
LEU A  89
 None
 1.43A 5dxeB-5c1iA:
undetectable		 5dxeB-5c1iA:
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.
5dlq EXPORTIN-4

(Mus musculus) 		no annotation 5 LEU B 809
ALA B 811
LEU B 779
ARG B 736
LEU B 831
 None
 1.36A 5dxeB-5dlqB:
undetectable		 5dxeB-5dlqB:
13.39
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.
5e4y HOMOSERINE
O-ACETYLTRANSFERASE

(Pseudomonas
veronii) 		PF00561
(Abhydrolase_1) 		5 LEU A 336
MET A 332
LEU A 333
ARG A  72
HIS A 322
 None
 1.27A 5dxeB-5e4yA:
undetectable		 5dxeB-5e4yA:
20.77
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.
5fav CHOLINE
TRIMETHYLAMINE-LYASE

(Desulfovibrio
alaskensis) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ALA A 363
GLU A 362
LEU A 358
ARG A  48
LEU A 414
 None
MLI  A 905 ( 4.5A)
None
None
None
 1.49A 5dxeB-5favA:
undetectable		 5dxeB-5favA:
15.53
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.
5h4s L-RHAMNOSE-BINDING
LECTIN

(Toxopneustes
pileolus) 		PF02140
(Gal_Lectin) 		5 LEU A 244
GLU A 160
LEU A 280
LEU A 216
LEU A 277
 None
 1.46A 5dxeB-5h4sA:
undetectable		 5dxeB-5h4sA:
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.
5k1g 1-CYS PEROXIREDOXIN

(Vibrio
vulnificus) 		PF08534
(Redoxin) 		5 MET A 127
LEU A  37
ALA A  39
LEU A  97
LEU A 110
 None
 1.42A 5dxeB-5k1gA:
undetectable		 5dxeB-5k1gA:
23.53
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 ALA A 749
GLU A 748
LEU A 645
MET A 646
ARG A 744
 None
 1.48A 5dxeB-5kf7A:
undetectable		 5dxeB-5kf7A:
11.43
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.
5mji BRAMP DOMAIN PROTEIN

(Streptomyces
davaonensis) 		PF03358
(FMN_red) 		5 LEU A   8
ALA A 100
LEU A 104
LEU A 107
LEU A 129
 None
 1.30A 5dxeB-5mjiA:
undetectable		 5dxeB-5mjiA:
21.09
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.
5mlv -

(-) 		no annotation 5 MET G 202
LEU G 219
ALA G 223
LEU G 177
MET G 176
 None
 0.93A 5dxeB-5mlvG:
undetectable		 5dxeB-5mlvG:
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.
5tir SUPEROXIDE DISMUTASE

(Trichoderma
reesei) 		no annotation 5 LEU A 208
GLU A  83
LEU A  80
ARG A 196
LEU A   8
 None
 1.48A 5dxeB-5tirA:
undetectable		 5dxeB-5tirA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		10 MET A 295
LEU A 298
ALA A 302
GLU A 305
LEU A 339
MET A 340
LEU A 343
ARG A 346
HIS A 475
LEU A 476
 EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
EST  A 601 (-3.9A)
EST  A 601 ( 4.8A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
 0.39A 5dxeB-5toaA:
31.8		 5dxeB-5toaA:
56.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 MET A 295
LEU A 298
LEU A 354
HIS A 475
LEU A 476
 EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
None
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
 1.39A 5dxeB-5toaA:
31.8		 5dxeB-5toaA:
56.49
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.
5ux2 ALDEHYDE
DECARBONYLASE

(Synechococcus
sp. RS9917) 		no annotation 5 LEU A 199
ALA A 203
GLU A 146
LEU A 106
LEU A 218
 None
 1.31A 5dxeB-5ux2A:
2.1		 5dxeB-5ux2A:
17.19
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.
5vrd BIFUNCTIONAL
COENZYME PQQ
SYNTHESIS PROTEIN
C/D

(Methylobacterium
extorquens) 		no annotation 5 ALA D 153
LEU D 156
ARG D  91
HIS D  19
LEU D  22
 None
 1.27A 5dxeB-5vrdD:
undetectable		 5dxeB-5vrdD:
15.04
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.
5vws CYTOCHROME P450

(Thermobispora
bispora) 		PF00067
(p450) 		5 ALA A 178
GLU A 181
LEU A 150
HIS A 232
LEU A 229
 None
 1.23A 5dxeB-5vwsA:
2.9		 5dxeB-5vwsA:
19.80
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.
5wq0 STAGE 0 SPORULATION
PROTEIN

(Paenisporosarcina
sp. TG-14) 		no annotation 5 MET B  71
LEU B  68
ALA B  66
MET B  59
LEU B  42
 None
 1.40A 5dxeB-5wq0B:
undetectable		 5dxeB-5wq0B:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x87 BESTROPHIN

(Klebsiella
pneumoniae) 		no annotation 5 ALA A  82
GLU A  81
LEU A  85
ARG A 201
LEU A 272
 None
 1.41A 5dxeB-5x87A:
undetectable		 5dxeB-5x87A:
22.48
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.
6dll P-HYDROXYBENZOATE
HYDROXYLASE

(Pseudomonas
putida) 		no annotation 5 ALA A  59
GLU A  58
LEU A  20
ARG A 311
LEU A 109
 None
 1.43A 5dxeB-6dllA:
undetectable		 5dxeB-6dllA:
16.46
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.
6fbt LYTIC MUREIN
TRANSGLYCOSYLASE

(Pseudomonas
aeruginosa) 		no annotation 5 ALA A 293
LEU A 316
LEU A 317
ARG A 322
LEU A 283
 None
 1.48A 5dxeB-6fbtA:
undetectable		 5dxeB-6fbtA:
15.56