SIMILAR PATTERNS OF AMINO ACIDS FOR 3H0A_A_9RAA500_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.
1dbi AK.1 SERINE PROTEASE

(Bacillus sp.
Ak1) 		PF00082
(Peptidase_S8) 		5 ALA A 236
ALA A 233
ALA A 237
VAL A 148
ILE A 120
 None
 0.97A 3h0aA-1dbiA:
undetectable		 3h0aA-1dbiA:
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.
1e19 CARBAMATE KINASE

(Pyrococcus
furiosus) 		PF00696
(AA_kinase) 		5 ALA A  34
LEU A  97
ALA A  96
VAL A   5
LEU A 234
 None
 0.94A 3h0aA-1e19A:
undetectable		 3h0aA-1e19A:
21.70
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.
1e32 P97

(Mus musculus) 		PF00004
(AAA)
PF02359
(CDC48_N)
PF02933
(CDC48_2) 		5 ALA A 259
ALA A 257
VAL A 367
ILE A 369
LEU A 213
 None
 0.99A 3h0aA-1e32A:
undetectable		 3h0aA-1e32A:
20.39
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.
1e6v METHYL-COENZYME M
REDUCTASE I ALPHA
SUBUNIT

(Methanopyrus
kandleri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 ALA A 307
GLN A 496
ALA A 500
VAL A 380
LEU A 346
 None
 0.88A 3h0aA-1e6vA:
undetectable		 3h0aA-1e6vA:
16.79
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.
1e6y METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT

(Methanosarcina
barkeri) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		6 ALA B2205
ALA B2393
LEU B2397
ALA B2396
VAL B2265
ILE B2262
 OCS  C3065 ( 3.6A)
None
None
None
None
None
 1.44A 3h0aA-1e6yB:
undetectable		 3h0aA-1e6yB:
19.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hg4 ULTRASPIRACLE

(Drosophila
melanogaster) 		PF00104
(Hormone_recep) 		5 TRP A 318
LEU A 322
VAL A 382
ILE A 385
LEU A 476
 None
LPP  A   1 ( 4.8A)
LPP  A   1 (-4.8A)
None
LPP  A   1 (-4.2A)
 0.74A 3h0aA-1hg4A:
23.1		 3h0aA-1hg4A:
42.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hg4 ULTRASPIRACLE

(Drosophila
melanogaster) 		PF00104
(Hormone_recep) 		5 TRP A 318
LEU A 366
VAL A 382
ILE A 385
LEU A 476
 None
LPP  A   1 ( 4.4A)
LPP  A   1 (-4.8A)
None
LPP  A   1 (-4.2A)
 0.78A 3h0aA-1hg4A:
23.1		 3h0aA-1hg4A:
42.35
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.
1ofi ATP-DEPENDENT
PROTEASE HSLV

(Haemophilus
influenzae) 		PF00227
(Proteasome) 		5 ALA G  93
ALA G  47
LEU G  56
ALA G  53
VAL G 113
 None
LVS  G   0 (-4.9A)
None
LVS  G   0 ( 4.2A)
None
 0.98A 3h0aA-1ofiG:
undetectable		 3h0aA-1ofiG:
20.85
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 ALA A 350
LEU A 387
ARG A 394
VAL A 418
LEU A 525
 EST  A   1 ( 3.7A)
EST  A   1 (-4.0A)
EST  A   1 (-3.7A)
None
EST  A   1 (-3.6A)
 0.92A 3h0aA-1pcgA:
23.4		 3h0aA-1pcgA:
31.62
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 ALA A 350
TRP A 383
ARG A 394
ILE A 424
LEU A 525
 EST  A   1 ( 3.7A)
None
EST  A   1 (-3.7A)
EST  A   1 ( 4.5A)
EST  A   1 (-3.6A)
 0.95A 3h0aA-1pcgA:
23.4		 3h0aA-1pcgA:
31.62
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 ALA A 350
TRP A 383
LEU A 387
ARG A 394
LEU A 525
 EST  A   1 ( 3.7A)
None
EST  A   1 (-4.0A)
EST  A   1 (-3.7A)
EST  A   1 (-3.6A)
 0.86A 3h0aA-1pcgA:
23.4		 3h0aA-1pcgA:
31.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r20 ULTRASPIRACLE
PROTEIN

(Heliothis
virescens) 		PF00104
(Hormone_recep) 		8 GLN A 256
TRP A 286
LEU A 290
ARG A 297
LEU A 325
VAL A 341
ILE A 344
LEU A 435
 None
None
EPH  A4000 ( 4.8A)
None
None
EPH  A4000 (-4.9A)
EPH  A4000 ( 4.1A)
EPH  A4000 ( 4.6A)
 1.04A 3h0aA-1r20A:
23.1		 3h0aA-1r20A:
45.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		10 ALA A 342
ALA A 343
GLN A 346
TRP A 376
LEU A 380
ARG A 387
LEU A 397
ALA A 398
VAL A 413
LEU A 507
 MEI  A1001 (-3.1A)
MEI  A1001 (-3.3A)
None
None
MEI  A1001 (-3.8A)
MEI  A1001 (-3.6A)
MEI  A1001 ( 4.4A)
MEI  A1001 (-3.4A)
MEI  A1001 (-4.1A)
MEI  A1001 (-4.6A)
 0.79A 3h0aA-1uhlA:
32.0		 3h0aA-1uhlA:
88.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		10 ALA A 342
ALA A 343
TRP A 376
LEU A 380
ARG A 387
LEU A 397
ALA A 398
VAL A 413
ILE A 416
LEU A 507
 MEI  A1001 (-3.1A)
MEI  A1001 (-3.3A)
None
MEI  A1001 (-3.8A)
MEI  A1001 (-3.6A)
MEI  A1001 ( 4.4A)
MEI  A1001 (-3.4A)
MEI  A1001 (-4.1A)
None
MEI  A1001 (-4.6A)
 0.83A 3h0aA-1uhlA:
32.0		 3h0aA-1uhlA:
88.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 ALA A 342
LEU A 380
ARG A 387
LEU A 397
VAL A 413
ILE A 416
CYH A 503
 MEI  A1001 (-3.1A)
MEI  A1001 (-3.8A)
MEI  A1001 (-3.6A)
MEI  A1001 ( 4.4A)
MEI  A1001 (-4.1A)
None
MEI  A1001 (-4.0A)
 0.96A 3h0aA-1uhlA:
32.0		 3h0aA-1uhlA:
88.70
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.
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophilus) 		PF00107
(ADH_zinc_N) 		6 ALA A 134
ALA A 135
LEU A 291
LEU A 165
ALA A 166
ILE A  87
 None
 1.39A 3h0aA-1xa0A:
undetectable		 3h0aA-1xa0A:
24.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		6 ALA A 245
ALA A 246
GLN A 249
TRP A 279
ARG A 290
ILE A 402
 9CR  A 201 (-3.6A)
9CR  A 201 (-3.6A)
9CR  A 201 (-4.1A)
None
9CR  A 201 (-2.8A)
None
 1.28A 3h0aA-1xiuA:
29.4		 3h0aA-1xiuA:
82.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		10 ALA A 245
ALA A 246
GLN A 249
TRP A 279
LEU A 283
ARG A 290
LEU A 300
VAL A 316
ILE A 319
LEU A 410
 9CR  A 201 (-3.6A)
9CR  A 201 (-3.6A)
9CR  A 201 (-4.1A)
None
9CR  A 201 ( 4.1A)
9CR  A 201 (-2.8A)
9CR  A 201 (-4.4A)
9CR  A 201 (-4.2A)
None
9CR  A 201 ( 4.8A)
 0.69A 3h0aA-1xiuA:
29.4		 3h0aA-1xiuA:
82.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		8 ALA A 245
ALA A 246
LEU A 283
ARG A 290
LEU A 300
VAL A 316
ILE A 319
CYH A 406
 9CR  A 201 (-3.6A)
9CR  A 201 (-3.6A)
9CR  A 201 ( 4.1A)
9CR  A 201 (-2.8A)
9CR  A 201 (-4.4A)
9CR  A 201 (-4.2A)
None
9CR  A 201 (-3.6A)
 0.75A 3h0aA-1xiuA:
29.4		 3h0aA-1xiuA:
82.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		9 ALA A 245
GLN A 249
LEU A 283
ARG A 290
LEU A 300
ALA A 301
VAL A 316
ILE A 319
LEU A 410
 9CR  A 201 (-3.6A)
9CR  A 201 (-4.1A)
9CR  A 201 ( 4.1A)
9CR  A 201 (-2.8A)
9CR  A 201 (-4.4A)
9CR  A 201 (-3.4A)
9CR  A 201 (-4.2A)
None
9CR  A 201 ( 4.8A)
 0.71A 3h0aA-1xiuA:
29.4		 3h0aA-1xiuA:
82.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 ALA A 271
ALA A 272
GLN A 275
ARG A 316
LEU A 326
ALA A 327
ILE A 428
 9CR  A 801 (-3.6A)
9CR  A 801 (-3.5A)
9CR  A 801 (-4.7A)
9CR  A 801 (-2.6A)
9CR  A 801 (-4.1A)
9CR  A 801 (-3.3A)
None
 1.30A 3h0aA-1xlsA:
31.5		 3h0aA-1xlsA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		11 ALA A 271
ALA A 272
GLN A 275
TRP A 305
LEU A 309
ARG A 316
LEU A 326
ALA A 327
VAL A 342
ILE A 345
LEU A 436
 9CR  A 801 (-3.6A)
9CR  A 801 (-3.5A)
9CR  A 801 (-4.7A)
None
9CR  A 801 (-4.2A)
9CR  A 801 (-2.6A)
9CR  A 801 (-4.1A)
9CR  A 801 (-3.3A)
9CR  A 801 ( 4.3A)
9CR  A 801 ( 4.5A)
9CR  A 801 (-4.7A)
 0.71A 3h0aA-1xlsA:
31.5		 3h0aA-1xlsA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 ALA A 271
ALA A 272
LEU A 309
ARG A 316
LEU A 326
ALA A 327
VAL A 342
ILE A 345
CYH A 432
 9CR  A 801 (-3.6A)
9CR  A 801 (-3.5A)
9CR  A 801 (-4.2A)
9CR  A 801 (-2.6A)
9CR  A 801 (-4.1A)
9CR  A 801 (-3.3A)
9CR  A 801 ( 4.3A)
9CR  A 801 ( 4.5A)
9CR  A 801 ( 3.7A)
 0.81A 3h0aA-1xlsA:
31.5		 3h0aA-1xlsA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 ALA A 271
GLN A 275
ARG A 316
ALA A 327
VAL A 342
ILE A 345
 9CR  A 801 (-3.6A)
9CR  A 801 (-4.7A)
9CR  A 801 (-2.6A)
9CR  A 801 (-3.3A)
9CR  A 801 ( 4.3A)
9CR  A 801 ( 4.5A)
 1.44A 3h0aA-1xlsA:
31.5		 3h0aA-1xlsA:
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.
1z6o FERRITIN HEAVY CHAIN
FERRITIN LIGHT CHAIN

(Trichoplusia ni) 		PF00210
(Ferritin) 		5 ALA A  59
ALA A  60
LEU M  79
VAL M  33
LEU M  91
 None
 0.92A 3h0aA-1z6oA:
undetectable		 3h0aA-1z6oA:
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.
1z6r MLC PROTEIN

(Escherichia
coli) 		PF00480
(ROK) 		5 ALA A 388
ALA A 387
LEU A 205
ALA A 202
VAL A  80
 None
 0.98A 3h0aA-1z6rA:
undetectable		 3h0aA-1z6rA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z6t APOPTOTIC PROTEASE
ACTIVATING FACTOR 1

(Homo sapiens) 		PF00619
(CARD)
PF00931
(NB-ARC) 		5 ALA A 223
LEU A 230
LEU A 199
ILE A 260
CYH A 258
 None
 0.85A 3h0aA-1z6tA:
undetectable		 3h0aA-1z6tA:
18.63
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.
1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE

(Klebsiella
aerogenes) 		PF00144
(Beta-lactamase) 		5 ALA A 163
ALA A 164
LEU A 174
ALA A  78
ILE A 225
 None
 1.00A 3h0aA-1zkjA:
undetectable		 3h0aA-1zkjA:
22.45
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.
2bgk RHIZOME
SECOISOLARICIRESINOL
DEHYDROGENASE

(Podophyllum
peltatum) 		PF13561
(adh_short_C2) 		5 ALA A 136
ALA A 133
LEU A 181
ALA A 137
VAL A 240
 None
 0.99A 3h0aA-2bgkA:
undetectable		 3h0aA-2bgkA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2coc FYVE, RHOGEF AND PH
DOMAIN CONTAINING
PROTEIN 3

(Homo sapiens) 		no annotation 5 ALA A  88
GLN A  94
LEU A  98
LEU A  93
LEU A  38
 None
 0.76A 3h0aA-2cocA:
undetectable		 3h0aA-2cocA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dpn GLYCEROL KINASE

(Thermus
thermophilus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ALA A  57
ALA A  58
LEU A   5
ALA A  29
LEU A 171
 None
 0.71A 3h0aA-2dpnA:
undetectable		 3h0aA-2dpnA:
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.
2dpn GLYCEROL KINASE

(Thermus
thermophilus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ALA A  57
ALA A  58
LEU A   5
ALA A  29
VAL A 163
 None
 0.88A 3h0aA-2dpnA:
undetectable		 3h0aA-2dpnA:
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.
2f46 HYPOTHETICAL PROTEIN

(Neisseria
meningitidis) 		PF04273
(DUF442) 		5 ALA A 136
ALA A 139
VAL A  90
ILE A  85
LEU A 150
 None
 0.88A 3h0aA-2f46A:
undetectable		 3h0aA-2f46A:
21.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gl8 RETINOIC ACID
RECEPTOR RXR-GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A  88
ARG A  95
LEU A 105
VAL A 121
ILE A 124
CYH A 211
 None
 1.01A 3h0aA-2gl8A:
25.7		 3h0aA-2gl8A:
88.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gl8 RETINOIC ACID
RECEPTOR RXR-GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 TRP A  84
LEU A  88
ARG A  95
LEU A 105
VAL A 121
ILE A 124
 None
 0.86A 3h0aA-2gl8A:
25.7		 3h0aA-2gl8A:
88.60
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.
2gp4 6-PHOSPHOGLUCONATE
DEHYDRATASE

(Shewanella
oneidensis) 		PF00920
(ILVD_EDD) 		5 LEU A 366
LEU A 295
ALA A 296
VAL A 318
ILE A  12
 None
 0.83A 3h0aA-2gp4A:
undetectable		 3h0aA-2gp4A:
17.36
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 ALA A 350
LEU A 387
ARG A 394
VAL A 418
LEU A 525
 EST  A 596 ( 3.9A)
EST  A 596 ( 4.2A)
EST  A 596 (-4.0A)
CME  A 417 ( 3.2A)
EST  A 596 (-3.6A)
 0.99A 3h0aA-2ocfA:
23.5		 3h0aA-2ocfA:
30.50
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 ALA A 350
TRP A 383
LEU A 387
ARG A 394
LEU A 525
 EST  A 596 ( 3.9A)
None
EST  A 596 ( 4.2A)
EST  A 596 (-4.0A)
EST  A 596 (-3.6A)
 0.97A 3h0aA-2ocfA:
23.5		 3h0aA-2ocfA:
30.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q60 RETINOID X RECEPTOR

(Polyandrocarpa
misakiensis) 		PF00104
(Hormone_recep) 		6 LEU A 184
ARG A 191
ALA A 202
VAL A 217
ILE A 220
CYH A 307
 None
 1.06A 3h0aA-2q60A:
25.0		 3h0aA-2q60A:
71.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q60 RETINOID X RECEPTOR

(Polyandrocarpa
misakiensis) 		PF00104
(Hormone_recep) 		6 TRP A 180
LEU A 184
ARG A 191
ALA A 202
VAL A 217
ILE A 220
 None
 0.99A 3h0aA-2q60A:
25.0		 3h0aA-2q60A:
71.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qyg RIBULOSE
BISPHOSPHATE
CARBOXYLASE-LIKE
PROTEIN 2

(Rhodopseudomonas
palustris) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ALA A 416
ALA A 417
ARG A 427
LEU A 426
ALA A 423
 None
 0.91A 3h0aA-2qygA:
undetectable		 3h0aA-2qygA:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v84 SPERMIDINE/PUTRESCIN
E ABC TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN

(Treponema
pallidum) 		PF13416
(SBP_bac_8) 		5 ALA A 174
ALA A 175
LEU A 156
ALA A 155
ILE A 312
 None
 1.00A 3h0aA-2v84A:
undetectable		 3h0aA-2v84A:
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.
2vml PHYCOCYANIN ALPHA
CHAIN
PHYCOCYANIN BETA
CHAIN

(Gloeobacter
violaceus) 		PF00502
(Phycobilisome) 		5 ALA A  40
ALA A  41
ALA A 150
VAL B  31
LEU B  24
 None
 0.87A 3h0aA-2vmlA:
2.7		 3h0aA-2vmlA:
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.
2xgt ASPARAGINYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Brugia malayi) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ALA A 250
ALA A 251
LEU A 527
ALA A 370
LEU A 520
 None
 0.97A 3h0aA-2xgtA:
undetectable		 3h0aA-2xgtA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yg6 PUTRESCINE OXIDASE

(Rhodococcus
erythropolis) 		PF01593
(Amino_oxidase) 		6 ALA A 374
LEU A 363
LEU A 338
ALA A 299
VAL A  89
ILE A  91
 None
 1.28A 3h0aA-2yg6A:
undetectable		 3h0aA-2yg6A:
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.
2yjn GLYCOSYLTRANSFERASE

(Saccharopolyspora
erythraea) 		PF06722
(DUF1205) 		5 ALA A 156
ALA A 157
LEU A 132
ILE A  63
LEU A  37
 None
 0.99A 3h0aA-2yjnA:
undetectable		 3h0aA-2yjnA:
19.27
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.
2zo4 METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		5 ALA A  45
LEU A  40
VAL A  63
ILE A  66
LEU A  24
 None
 0.94A 3h0aA-2zo4A:
undetectable		 3h0aA-2zo4A:
23.96
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.
3au7 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Archaeoglobus
fulgidus) 		PF01336
(tRNA_anti-codon)
PF08489
(DUF1743) 		5 ALA A 148
ALA A  58
ALA A 147
VAL A  75
ILE A  79
 None
 0.99A 3h0aA-3au7A:
undetectable		 3h0aA-3au7A:
18.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		8 ALA A 271
ALA A 272
GLN A 275
TRP A 305
LEU A 309
ARG A 316
LEU A 326
LEU A 436
 9CR  A7223 (-3.5A)
9CR  A7223 (-4.2A)
9CR  A7223 (-4.6A)
None
9CR  A7223 ( 4.4A)
9CR  A7223 (-3.7A)
9CR  A7223 (-3.8A)
9CR  A7223 ( 4.7A)
 0.78A 3h0aA-3dzuA:
31.5		 3h0aA-3dzuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		9 ALA A 271
ALA A 272
TRP A 305
LEU A 309
ARG A 316
LEU A 326
VAL A 342
ILE A 345
LEU A 436
 9CR  A7223 (-3.5A)
9CR  A7223 (-4.2A)
None
9CR  A7223 ( 4.4A)
9CR  A7223 (-3.7A)
9CR  A7223 (-3.8A)
9CR  A7223 ( 4.5A)
9CR  A7223 ( 4.9A)
9CR  A7223 ( 4.7A)
 0.74A 3h0aA-3dzuA:
31.5		 3h0aA-3dzuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		6 ALA A 271
GLN A 275
TRP A 305
ARG A 316
LEU A 326
ILE A 428
 9CR  A7223 (-3.5A)
9CR  A7223 (-4.6A)
None
9CR  A7223 (-3.7A)
9CR  A7223 (-3.8A)
None
 1.35A 3h0aA-3dzuA:
31.5		 3h0aA-3dzuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		7 ALA A 271
LEU A 309
ARG A 316
LEU A 326
VAL A 342
ILE A 345
CYH A 432
 9CR  A7223 (-3.5A)
9CR  A7223 ( 4.4A)
9CR  A7223 (-3.7A)
9CR  A7223 (-3.8A)
9CR  A7223 ( 4.5A)
9CR  A7223 ( 4.9A)
9CR  A7223 (-3.8A)
 0.93A 3h0aA-3dzuA:
31.5		 3h0aA-3dzuA:
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.
3f0n MEVALONATE
PYROPHOSPHATE
DECARBOXYLASE

(Mus musculus) 		PF00288
(GHMP_kinases_N) 		5 ALA A 128
ALA A 129
ALA A 159
VAL A 311
ILE A 197
 None
 0.82A 3h0aA-3f0nA:
undetectable		 3h0aA-3f0nA:
18.78
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.
3f8r THIOREDOXIN
REDUCTASE (TRXB-3)

(Sulfolobus
solfataricus) 		PF07992
(Pyr_redox_2) 		6 ALA A  30
ALA A  27
ALA A  31
VAL A 271
ILE A 269
CYH A 288
 None
 1.42A 3h0aA-3f8rA:
undetectable		 3h0aA-3f8rA:
20.80
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.
3fcr PUTATIVE
AMINOTRANSFERASE

(Ruegeria sp.
TM1040) 		PF00202
(Aminotran_3) 		6 LEU A 367
LEU A 411
ALA A 451
ILE A 234
CYH A 383
LEU A 359
 None
 1.43A 3h0aA-3fcrA:
undetectable		 3h0aA-3fcrA:
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.
3ipc ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (AMINO ACID)

(Agrobacterium
fabrum) 		PF13458
(Peripla_BP_6) 		5 ALA A 289
ALA A 290
LEU A 305
ALA A 304
VAL A  74
 None
 0.69A 3h0aA-3ipcA:
undetectable		 3h0aA-3ipcA:
22.41
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.
3iwa FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Desulfovibrio
vulgaris) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A  17
ALA A  18
VAL A 277
ILE A 275
CYH A 294
 None
 0.99A 3h0aA-3iwaA:
undetectable		 3h0aA-3iwaA:
19.79
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.
3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2

(Homo sapiens) 		PF02020
(W2)
PF02847
(MA3) 		5 ALA A 111
GLN A 143
LEU A 144
VAL A 162
LEU A 128
 None
None
None
MES  A 361 (-3.6A)
None
 0.94A 3h0aA-3l6aA:
undetectable		 3h0aA-3l6aA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lb5 HIT-LIKE PROTEIN
INVOLVED IN
CELL-CYCLE
REGULATION

(Bartonella
henselae) 		PF01230
(HIT) 		5 ALA A  76
LEU A 140
ALA A 139
VAL A  30
ILE A  31
 None
 0.93A 3h0aA-3lb5A:
undetectable		 3h0aA-3lb5A:
19.49
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.
3mr7 ADENYLATE/GUANYLATE
CYCLASE/HYDROLASE,
ALPHA/BETA FOLD
FAMILY

(Ruegeria
pomeroyi) 		PF00211
(Guanylate_cyc) 		5 ALA A  66
ALA A  67
LEU A   8
ALA A  45
ILE A 102
 None
 0.95A 3h0aA-3mr7A:
undetectable		 3h0aA-3mr7A:
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.
3nuf PRD-CONTAINING
TRANSCRIPTION
REGULATOR

(Lactobacillus
paracasei) 		no annotation 5 ALA A  39
ALA A  38
LEU A  88
ALA A  40
LEU A  53
 None
 1.01A 3h0aA-3nufA:
undetectable		 3h0aA-3nufA:
20.52
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.
3o10 SACSIN

(Homo sapiens) 		PF05168
(HEPN) 		5 ALA A4487
ALA A4488
LEU A4451
ALA A4447
LEU A4519
 None
 0.76A 3h0aA-3o10A:
undetectable		 3h0aA-3o10A:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sfz APOPTOTIC PEPTIDASE
ACTIVATING FACTOR 1

(Mus musculus) 		PF00400
(WD40)
PF00931
(NB-ARC)
PF12894
(ANAPC4_WD40) 		5 ALA A 223
LEU A 230
LEU A 199
ILE A 260
CYH A 258
 None
 0.84A 3h0aA-3sfzA:
undetectable		 3h0aA-3sfzA:
10.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tt6 ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Bacillus
subtilis) 		PF00574
(CLP_protease) 		5 ALA A  96
ALA A  95
LEU A 103
VAL A  39
ILE A  43
 None
 0.99A 3h0aA-3tt6A:
undetectable		 3h0aA-3tt6A:
22.84
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.
3upn PENICILLIN-BINDING
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		5 ALA A 231
ALA A 232
LEU A 298
ALA A 297
LEU A 274
 None
 0.98A 3h0aA-3upnA:
undetectable		 3h0aA-3upnA:
18.45
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.
4fdw LEUCINE RICH
HYPOTHETICAL PROTEIN

(Bacteroides
ovatus) 		PF07523
(Big_3)
PF13306
(LRR_5) 		5 ALA A 290
GLN A 269
VAL A 280
ILE A 277
CYH A 297
 None
 0.99A 3h0aA-4fdwA:
undetectable		 3h0aA-4fdwA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g68 ABC TRANSPORTER

(Caldanaerobius) 		PF01547
(SBP_bac_1) 		5 ALA B 324
ALA B 325
LEU B 309
LEU B  27
LEU B 105
 None
 0.83A 3h0aA-4g68B:
undetectable		 3h0aA-4g68B:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iwh 3-ISOPROPYLMALATE
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00180
(Iso_dh) 		6 ALA A   4
ALA A  57
ALA A  60
VAL A  68
ILE A  86
LEU A  49
 None
 1.48A 3h0aA-4iwhA:
undetectable		 3h0aA-4iwhA:
22.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 9 ALA D 271
ALA D 272
GLN D 275
LEU D 309
ARG D 316
LEU D 326
VAL D 342
ILE D 345
CYH D 432
 None
 0.87A 3h0aA-4j5xD:
30.9		 3h0aA-4j5xD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 10 ALA D 271
ALA D 272
GLN D 275
TRP D 305
LEU D 309
ARG D 316
LEU D 326
VAL D 342
ILE D 345
LEU D 436
 None
 0.67A 3h0aA-4j5xD:
30.9		 3h0aA-4j5xD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 9 ALA D 271
GLN D 275
LEU D 309
ARG D 316
LEU D 326
ALA D 327
VAL D 342
ILE D 345
CYH D 432
 None
 0.99A 3h0aA-4j5xD:
30.9		 3h0aA-4j5xD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 7 ALA D 271
GLN D 275
TRP D 305
ARG D 316
LEU D 326
ALA D 327
ILE D 428
 None
 1.43A 3h0aA-4j5xD:
30.9		 3h0aA-4j5xD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 10 ALA D 271
GLN D 275
TRP D 305
LEU D 309
ARG D 316
LEU D 326
ALA D 327
VAL D 342
ILE D 345
LEU D 436
 None
 0.80A 3h0aA-4j5xD:
30.9		 3h0aA-4j5xD:
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.
4k70 UL37

(Suid
alphaherpesvirus
1) 		PF03970
(Herpes_UL37_1) 		5 ALA A 304
ALA A 305
ARG A 254
VAL A 238
LEU A 294
 None
 0.90A 3h0aA-4k70A:
undetectable		 3h0aA-4k70A:
21.14
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.
4kdz TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Escherichia
coli) 		PF00588
(SpoU_methylase) 		5 ALA A 113
LEU A 111
VAL A   5
ILE A  32
LEU A  67
 None
 0.98A 3h0aA-4kdzA:
undetectable		 3h0aA-4kdzA:
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.
4ovk PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		6 ALA A 178
GLN A 177
LEU A 181
LEU A 172
VAL A 151
ILE A 153
 None
 1.40A 3h0aA-4ovkA:
undetectable		 3h0aA-4ovkA:
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.
4p7c TRNA
(MO5U34)-METHYLTRANS
FERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF08003
(Methyltransf_9) 		5 ALA A  79
ALA A  44
LEU A  48
ALA A  47
LEU A 152
 None
 0.99A 3h0aA-4p7cA:
undetectable		 3h0aA-4p7cA:
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.
4qpn PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21B

(Homo sapiens) 		PF10294
(Methyltransf_16) 		5 ALA A 179
LEU A  63
ALA A  59
ILE A  80
LEU A 166
 None
 0.73A 3h0aA-4qpnA:
undetectable		 3h0aA-4qpnA:
17.75
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.
4x9n L-ALPHA-GLYCEROPHOSP
HATE OXIDASE

(Mycoplasma
pneumoniae) 		PF01266
(DAO) 		6 ALA A 209
ALA A 208
LEU A 343
LEU A 216
ALA A 213
LEU A  31
 FAD  A 401 (-3.6A)
None
None
None
None
None
 1.38A 3h0aA-4x9nA:
undetectable		 3h0aA-4x9nA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x9n L-ALPHA-GLYCEROPHOSP
HATE OXIDASE

(Mycoplasma
pneumoniae) 		PF01266
(DAO) 		6 ALA A 209
ALA A 208
LEU A 343
LEU A 216
ALA A 213
VAL A 202
 FAD  A 401 (-3.6A)
None
None
None
None
None
 1.15A 3h0aA-4x9nA:
undetectable		 3h0aA-4x9nA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xai GRUNGE, ISOFORM J
MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TAILLESS
ORTHOLOG

(Drosophila
melanogaster;
Escherichia
coli;
Tribolium
castaneum) 		PF00104
(Hormone_recep)
PF13416
(SBP_bac_8)
no annotation 		5 ALA A1204
LEU P1823
ALA P1819
CYH A1260
LEU A1256
 None
 0.97A 3h0aA-4xaiA:
14.1		 3h0aA-4xaiA:
18.97
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.
4xg0 UNCHARACTERIZED
PROTEIN

(Bordetella
bronchiseptica) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 ALA A 322
ALA A 321
LEU A 348
ALA A 347
ILE A 398
 None
 0.77A 3h0aA-4xg0A:
undetectable		 3h0aA-4xg0A:
18.58
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.
4xgj UNCHARACTERIZED
PROTEIN

(Pectobacterium
atrosepticum) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 ALA A 214
ALA A 215
LEU A 183
ALA A 184
LEU A 230
 None
 0.88A 3h0aA-4xgjA:
undetectable		 3h0aA-4xgjA:
20.13
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.
5aoh CARF

(Serratia sp.
ATCC 39006) 		PF03781
(FGE-sulfatase) 		5 LEU A 146
LEU A 242
ALA A 243
ILE A  39
LEU A  34
 None
 1.00A 3h0aA-5aohA:
undetectable		 3h0aA-5aohA:
23.28
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.
5bt1 HAT1-INTERACTING
FACTOR 1

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A  41
ALA A  42
LEU A  33
ALA A  29
ILE A 245
 None
 0.93A 3h0aA-5bt1A:
undetectable		 3h0aA-5bt1A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c90 ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Staphylococcus
aureus) 		PF00574
(CLP_protease) 		5 ALA A  97
ALA A  96
LEU A 104
VAL A  40
ILE A  44
 None
 1.01A 3h0aA-5c90A:
undetectable		 3h0aA-5c90A:
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.
5ehk LANTIBIOTIC
DEHYDRATASE

(Microbispora
corallina) 		PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C) 		6 ALA A 934
LEU A 941
LEU A1044
ALA A1043
VAL A1097
LEU A 951
 None
 1.47A 3h0aA-5ehkA:
undetectable		 3h0aA-5ehkA:
12.62
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.
5ihv BETA-LACTAMASE

(Burkholderia
ambifaria) 		PF13354
(Beta-lactamase2) 		5 ALA A  54
ALA A  55
LEU A 176
VAL A 223
LEU A 166
 None
 0.85A 3h0aA-5ihvA:
undetectable		 3h0aA-5ihvA:
23.32
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.
5jr4 TYPE 1 FIMBIRAL
ADHESIN FIMH

(Escherichia
coli) 		PF00419
(Fimbrial)
PF09160
(FimH_man-bind) 		5 ALA A  62
ALA A  63
LEU A  68
VAL A  22
LEU A 109
 None
 1.00A 3h0aA-5jr4A:
undetectable		 3h0aA-5jr4A:
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.
5k0y RIBOSOMAL PROTEIN
ES19

(Oryctolagus
cuniculus) 		PF01090
(Ribosomal_S19e) 		5 ALA R  58
ALA R  57
LEU R  28
LEU R  18
ALA R  19
 None
 1.00A 3h0aA-5k0yR:
undetectable		 3h0aA-5k0yR:
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.
5njl CELL SURFACE PROTEIN
(PUTATIVE S-LAYER
PROTEIN)

(Clostridioides
difficile) 		no annotation 5 ALA A 156
LEU A 165
VAL A 213
ILE A 216
LEU A 192
 None
 0.98A 3h0aA-5njlA:
undetectable		 3h0aA-5njlA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nth PUTATIVE
AMINOPEPTIDASE

(Leishmania
major) 		PF00883
(Peptidase_M17) 		6 ALA A 160
LEU A 182
ALA A 126
VAL A 529
ILE A 210
CYH A 211
 None
 1.31A 3h0aA-5nthA:
undetectable		 3h0aA-5nthA:
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.
5o2c SERINE/THREONINE-PRO
TEIN KINASE WNK3

(Homo sapiens) 		PF00069
(Pkinase)
PF12202
(OSR1_C) 		5 LEU A 339
VAL A 290
ILE A 281
CYH A 278
LEU A 239
 None
 1.00A 3h0aA-5o2cA:
undetectable		 3h0aA-5o2cA:
21.00
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) 		5 ALA A 302
LEU A 339
VAL A 370
ILE A 373
LEU A 476
 EST  A 601 ( 3.9A)
EST  A 601 (-3.9A)
None
None
EST  A 601 (-3.5A)
 0.95A 3h0aA-5toaA:
22.0		 3h0aA-5toaA:
30.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		no annotation 12 ALA A 271
ALA A 272
GLN A 275
TRP A 305
LEU A 309
ARG A 316
LEU A 326
ALA A 327
VAL A 342
ILE A 345
CYH A 432
LEU A 436
 9CR  A 503 (-3.5A)
9CR  A 503 (-3.5A)
9CR  A 503 (-3.8A)
None
9CR  A 503 (-3.7A)
9CR  A 503 (-3.0A)
9CR  A 503 (-4.3A)
9CR  A 503 (-3.4A)
None
None
9CR  A 503 (-3.3A)
9CR  A 503 ( 4.8A)
 0.70A 3h0aA-5uanA:
31.7		 3h0aA-5uanA:
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.
5vyd PHOSPHODIESTERASE

(Salpingoeca
rosetta) 		no annotation 5 ALA A 119
LEU A  92
VAL A  55
ILE A  61
LEU A 182
 None
 0.96A 3h0aA-5vydA:
undetectable		 3h0aA-5vydA:
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.
5w0s 60 KDA CHAPERONIN

(Escherichia
coli) 		PF00118
(Cpn60_TCP1) 		5 ALA A 507
ALA A 508
LEU A  95
ALA A  96
VAL A 422
 None
 0.84A 3h0aA-5w0sA:
undetectable		 3h0aA-5w0sA:
19.89
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.
5xwb 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Colwellia
psychrerythraea) 		PF00275
(EPSP_synthase) 		6 ALA A 107
ALA A 108
LEU A 184
LEU A 133
ALA A 138
LEU A  34
 None
 1.21A 3h0aA-5xwbA:
undetectable		 3h0aA-5xwbA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xym 50S RIBOSOMAL
PROTEIN L22

(Mycolicibacterium
smegmatis) 		PF00237
(Ribosomal_L22) 		5 ALA S  61
ALA S  62
LEU S  76
ALA S  10
LEU S  40
 None
 0.91A 3h0aA-5xymS:
undetectable		 3h0aA-5xymS:
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.
6cmz DIHYDROLIPOYL
DEHYDROGENASE

(Burkholderia
cenocepacia) 		no annotation 5 ALA A  20
ALA A  21
ALA A 329
VAL A 126
ILE A 137
 None
 1.01A 3h0aA-6cmzA:
undetectable		 3h0aA-6cmzA:
21.34