SIMILAR PATTERNS OF AMINO ACIDS FOR 1N13_B_AG2B7011_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.
1ecm ENDO-OXABICYCLIC
TRANSITION STATE
ANALOGUE

(Escherichia
coli) 		PF01817
(CM_2) 		4 ARG A  29
LEU A  79
ASP A  83
LEU A  86
 None
 0.94A 1n13B-1ecmA:
undetectable
1n13C-1ecmA:
undetectable		 1n13B-1ecmA:
19.51
1n13C-1ecmA:
18.52
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.
1gpp ENDONUCLEASE PI-SCEI

(Saccharomyces
cerevisiae) 		PF05203
(Hom_end_hint) 		4 GLU A 425
ARG A 118
ASP A 163
LEU A 166
 None
 1.28A 1n13B-1gppA:
0.0
1n13C-1gppA:
0.0		 1n13B-1gppA:
15.90
1n13C-1gppA:
13.12
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.
1gt9 KUMAMOLYSIN

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		4 ARG 1 248
LEU 1 343
ASP 1 252
LEU 1 188
 None
 0.71A 1n13B-1gt91:
0.0
1n13C-1gt91:
0.0		 1n13B-1gt91:
13.55
1n13C-1gt91:
9.86
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.
1i84 SMOOTH MUSCLE MYOSIN
HEAVY CHAIN

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N) 		4 GLU S 148
ARG S 788
ASP S 789
LEU S 790
 None
 1.25A 1n13B-1i84S:
0.0
1n13C-1i84S:
undetectable		 1n13B-1i84S:
6.96
1n13C-1i84S:
4.29
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.
1igw ISOCITRATE LYASE

(Escherichia
coli) 		PF00463
(ICL) 		4 ARG A 217
LEU A 313
ASP A 284
LEU A 228
 None
 1.12A 1n13B-1igwA:
0.0
1n13C-1igwA:
0.0		 1n13B-1igwA:
14.02
1n13C-1igwA:
9.52
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.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 GLU A 745
ARG A 726
LEU A 681
ASP A 677
 None
 1.19A 1n13B-1ileA:
0.0
1n13C-1ileA:
0.0		 1n13B-1ileA:
8.16
1n13C-1ileA:
5.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jmz AMINE DEHYDROGENASE

(Pseudomonas
putida) 		PF09098
(Dehyd-heme_bind)
PF09099
(Qn_am_d_aIII)
PF09100
(Qn_am_d_aIV)
PF14930
(Qn_am_d_aII) 		4 GLU A 394
ARG A  85
ASP A 275
LEU A 274
 None
 1.20A 1n13B-1jmzA:
0.0
1n13C-1jmzA:
0.0		 1n13B-1jmzA:
12.24
1n13C-1jmzA:
8.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kw2 VITAMIN D-BINDING
PROTEIN

(Homo sapiens) 		PF00273
(Serum_albumin)
PF09164
(VitD-bind_III) 		4 GLU A 249
ARG A 232
LEU A 248
ASP A 344
 None
 1.27A 1n13B-1kw2A:
undetectable
1n13C-1kw2A:
undetectable		 1n13B-1kw2A:
13.79
1n13C-1kw2A:
9.94
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.
1n2o PANTOTHENATE
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF02569
(Pantoate_ligase) 		4 ARG A 188
LEU A 280
ASP A 281
LEU A 217
 None
 1.15A 1n13B-1n2oA:
0.0
1n13C-1n2oA:
0.0		 1n13B-1n2oA:
15.33
1n13C-1n2oA:
8.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
40 KDA SUBUNIT
QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
9 KDA SUBUNIT

(Paracoccus
denitrificans) 		PF08992
(QH-AmDH_gamma)
no annotation 		4 ARG B   9
LEU C  51
ASP C  39
LEU B 327
 None
None
None
TRW  C  43 ( 4.2A)
 0.89A 1n13B-1pbyB:
0.0
1n13C-1pbyB:
0.0		 1n13B-1pbyB:
19.05
1n13C-1pbyB:
9.50
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.
1t1e KUMAMOLISIN

(Bacillus sp.
MN-32) 		PF00082
(Peptidase_S8)
PF09286
(Pro-kuma_activ) 		4 ARG A 437
LEU A 532
ASP A 441
LEU A 377
 None
 0.79A 1n13B-1t1eA:
0.0
1n13C-1t1eA:
0.0		 1n13B-1t1eA:
10.26
1n13C-1t1eA:
7.32
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.
1tlt PUTATIVE
OXIDOREDUCTASE
(VIRULENCE FACTOR
MVIM HOMOLOG)

(Escherichia
coli) 		PF01408
(GFO_IDH_MocA) 		4 ARG A 126
LEU A 168
ASP A 172
LEU A 175
 None
 0.96A 1n13B-1tltA:
undetectable
1n13C-1tltA:
0.0		 1n13B-1tltA:
16.51
1n13C-1tltA:
10.06
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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4) 		4 GLU A  20
ARG A   5
LEU A  22
ASP A  37
 None
 1.18A 1n13B-1vrqA:
undetectable
1n13C-1vrqA:
undetectable		 1n13B-1vrqA:
8.51
1n13C-1vrqA:
5.44
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.
1wg8 PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01795
(Methyltransf_5) 		4 ARG A 271
LEU A  94
ASP A  96
LEU A  97
 SAM  A3142 (-3.2A)
None
SAM  A3142 (-3.5A)
None
 1.01A 1n13B-1wg8A:
undetectable
1n13C-1wg8A:
undetectable		 1n13B-1wg8A:
19.43
1n13C-1wg8A:
13.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ytl ACETYL-COA
DECARBOXYLASE/SYNTHA
SE COMPLEX EPSILON
SUBUNIT 2

(Archaeoglobus
fulgidus) 		PF02552
(CO_dh) 		4 GLU A  49
LEU A 164
ASP A 168
LEU A 171
 None
 1.20A 1n13B-1ytlA:
undetectable
1n13C-1ytlA:
undetectable		 1n13B-1ytlA:
22.29
1n13C-1ytlA:
13.45
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.
2g42 HYPOTHETICAL PROTEIN
TM_0693

(Thermotoga
maritima) 		no annotation 4 ARG A  29
LEU A  52
ASP A  48
LEU A  45
 None
 0.85A 1n13B-2g42A:
undetectable
1n13C-2g42A:
undetectable		 1n13B-2g42A:
23.89
1n13C-2g42A:
24.32
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF13247
(Fer4_11) 		4 GLU A 430
ARG B 317
LEU A 294
ASP A 293
 None
PO4  B1354 (-3.9A)
None
None
 1.21A 1n13B-2ivfA:
undetectable
1n13C-2ivfA:
undetectable		 1n13B-2ivfA:
7.55
1n13C-2ivfA:
4.84
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.
2jgp TYROCIDINE
SYNTHETASE 3

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		4 ARG A 297
LEU A 467
ASP A 466
LEU A 289
 None
 0.90A 1n13B-2jgpA:
1.1
1n13C-2jgpA:
undetectable		 1n13B-2jgpA:
11.37
1n13C-2jgpA:
8.52
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.
2jis CYSTEINE SULFINIC
ACID DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 GLU A 128
LEU A 132
ASP A 145
LEU A 325
 None
 1.11A 1n13B-2jisA:
undetectable
1n13C-2jisA:
undetectable		 1n13B-2jisA:
10.76
1n13C-2jisA:
8.10
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.
2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE

(Arabidopsis
thaliana) 		PF01487
(DHquinase_I)
PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		4 ARG A 317
LEU A 148
ASP A 121
LEU A  95
 None
 1.27A 1n13B-2o7qA:
undetectable
1n13C-2o7qA:
undetectable		 1n13B-2o7qA:
12.87
1n13C-2o7qA:
8.52
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.
2okj GLUTAMATE
DECARBOXYLASE 1

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 GLU A 226
LEU A 230
ASP A 245
LEU A 424
 None
 1.13A 1n13B-2okjA:
undetectable
1n13C-2okjA:
undetectable		 1n13B-2okjA:
13.40
1n13C-2okjA:
8.55
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.
2ong 4S-LIMONENE SYNTHASE

(Mentha spicata) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 ARG A 332
LEU A 284
ASP A 283
LEU A 121
 None
 1.10A 1n13B-2ongA:
undetectable
1n13C-2ongA:
undetectable		 1n13B-2ongA:
10.58
1n13C-2ongA:
10.05
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.
2pbg 6-PHOSPHO-BETA-D-GAL
ACTOSIDASE

(Lactococcus
lactis) 		PF00232
(Glyco_hydro_1) 		4 ARG A 132
LEU A 284
ASP A 280
LEU A 276
 None
 0.69A 1n13B-2pbgA:
undetectable
1n13C-2pbgA:
undetectable		 1n13B-2pbgA:
13.23
1n13C-2pbgA:
8.62
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.
2qve TYROSINE AMINOMUTASE

(Streptomyces
globisporus) 		PF00221
(Lyase_aromatic) 		4 ARG A 508
LEU A 516
ASP A 513
LEU A 471
 None
 1.18A 1n13B-2qveA:
undetectable
1n13C-2qveA:
undetectable		 1n13B-2qveA:
11.17
1n13C-2qveA:
8.96
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.
2rdx MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
PUTATIVE

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ARG A 137
LEU A 322
ASP A 321
LEU A 342
 None
 1.07A 1n13B-2rdxA:
undetectable
1n13C-2rdxA:
undetectable		 1n13B-2rdxA:
15.01
1n13C-2rdxA:
11.52
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.
2we8 XANTHINE
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF02625
(XdhC_CoxI)
PF13478
(XdhC_C) 		4 GLU A 179
ARG A 189
LEU A 172
ASP A 168
 None
 1.06A 1n13B-2we8A:
undetectable
1n13C-2we8A:
undetectable		 1n13B-2we8A:
15.03
1n13C-2we8A:
9.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wuq BETA-LACTAMASE
REGULATORY PROTEIN
BLAB

(Streptomyces
cacaoi) 		PF13354
(Beta-lactamase2) 		4 GLU A 200
LEU A  29
ASP A  28
LEU A 309
 None
 1.23A 1n13B-2wuqA:
undetectable
1n13C-2wuqA:
undetectable		 1n13B-2wuqA:
15.46
1n13C-2wuqA:
12.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wv3 NEUROPLASTIN

(Rattus
norvegicus) 		PF13927
(Ig_3) 		4 GLU A 102
ARG A 143
LEU A 186
ASP A 165
 None
 0.99A 1n13B-2wv3A:
undetectable
1n13C-2wv3A:
undetectable		 1n13B-2wv3A:
19.58
1n13C-2wv3A:
15.08
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.
2ynk WZI

(Escherichia
coli) 		PF14052
(Caps_assemb_Wzi) 		4 ARG A 404
LEU A  40
ASP A  36
LEU A  33
 None
 0.80A 1n13B-2ynkA:
undetectable
1n13C-2ynkA:
undetectable		 1n13B-2ynkA:
13.36
1n13C-2ynkA:
7.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yrr AMINOTRANSFERASE,
CLASS V

(Thermus
thermophilus) 		PF00266
(Aminotran_5) 		4 GLU A 270
LEU A 343
ASP A 347
LEU A 350
 None
 1.17A 1n13B-2yrrA:
undetectable
1n13C-2yrrA:
undetectable		 1n13B-2yrrA:
14.89
1n13C-2yrrA:
8.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a0h PHOTOSYSTEM II CORE
LIGHT HARVESTING
PROTEIN

(Thermosynechococcus
vulcanus) 		PF00421
(PSII) 		4 GLU B 283
ARG B 358
LEU B 309
ASP B 313
 None
 1.21A 1n13B-3a0hB:
undetectable
1n13C-3a0hB:
undetectable		 1n13B-3a0hB:
12.50
1n13C-3a0hB:
8.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bkh LYTIC
TRANSGLYCOSYLASE

(Pseudomonas
virus phiKZ) 		PF01464
(SLT)
PF01471
(PG_binding_1) 		4 ARG A 189
LEU A 198
ASP A 195
LEU A 183
 None
 1.23A 1n13B-3bkhA:
undetectable
1n13C-3bkhA:
undetectable		 1n13B-3bkhA:
17.54
1n13C-3bkhA:
14.37
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.
3d4j DIPHOSPHOMEVALONATE
DECARBOXYLASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N) 		4 GLU A 239
ARG A 228
LEU A 255
ASP A 259
 None
 1.09A 1n13B-3d4jA:
undetectable
1n13C-3d4jA:
undetectable		 1n13B-3d4jA:
14.57
1n13C-3d4jA:
8.90
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.
3d9w PUTATIVE
ACETYLTRANSFERASE

(Nocardia
farcinica) 		PF00797
(Acetyltransf_2) 		4 GLU A  52
LEU A  54
ASP A 275
LEU A 276
 None
 1.25A 1n13B-3d9wA:
undetectable
1n13C-3d9wA:
undetectable		 1n13B-3d9wA:
15.86
1n13C-3d9wA:
10.03
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.
3dla GLUTAMINE-DEPENDENT
NAD(+) SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		4 GLU A 252
LEU A 257
ASP A 273
LEU A 319
 None
 1.09A 1n13B-3dlaA:
undetectable
1n13C-3dlaA:
undetectable		 1n13B-3dlaA:
10.46
1n13C-3dlaA:
7.28
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.
3e5b ISOCITRATE LYASE

(Brucella
abortus) 		PF00463
(ICL) 		4 ARG A 207
LEU A 305
ASP A 276
LEU A 218
 None
 1.14A 1n13B-3e5bA:
undetectable
1n13C-3e5bA:
undetectable		 1n13B-3e5bA:
15.00
1n13C-3e5bA:
8.78
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.
3f0n MEVALONATE
PYROPHOSPHATE
DECARBOXYLASE

(Mus musculus) 		PF00288
(GHMP_kinases_N) 		4 GLU A 239
ARG A 228
LEU A 255
ASP A 259
 None
 1.17A 1n13B-3f0nA:
undetectable
1n13C-3f0nA:
undetectable		 1n13B-3f0nA:
15.62
1n13C-3f0nA:
8.67
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.
3kdn RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Thermococcus
kodakarensis) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 ARG A 155
LEU A 181
ASP A 186
LEU A 150
 None
 1.27A 1n13B-3kdnA:
undetectable
1n13C-3kdnA:
undetectable		 1n13B-3kdnA:
14.55
1n13C-3kdnA:
7.82
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.
3kev GALIERIA SULFURARIA
DCUN1
DOMAIN-CONTAINING
PROTEIN

(Galdieria
sulphuraria) 		PF03556
(Cullin_binding) 		4 ARG A  98
LEU A 164
ASP A 160
LEU A 157
 None
 1.21A 1n13B-3kevA:
undetectable
1n13C-3kevA:
undetectable		 1n13B-3kevA:
19.79
1n13C-3kevA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lg3 ISOCITRATE LYASE

(Yersinia pestis) 		PF00463
(ICL) 		4 ARG A 218
LEU A 314
ASP A 285
LEU A 229
 None
 1.28A 1n13B-3lg3A:
undetectable
1n13C-3lg3A:
undetectable		 1n13B-3lg3A:
13.75
1n13C-3lg3A:
8.79
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.
3llc PUTATIVE HYDROLASE

(Agrobacterium
vitis) 		PF12697
(Abhydrolase_6) 		4 ARG A  29
LEU A  55
ASP A  58
LEU A  27
 None
EDO  A 275 ( 4.2A)
None
None
 1.22A 1n13B-3llcA:
undetectable
1n13C-3llcA:
undetectable		 1n13B-3llcA:
17.78
1n13C-3llcA:
11.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n2o BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Vibrio
vulnificus) 		PF02784
(Orn_Arg_deC_N) 		4 GLU A 192
ARG A 239
LEU A 188
ASP A 187
 None
 1.20A 1n13B-3n2oA:
0.3
1n13C-3n2oA:
undetectable		 1n13B-3n2oA:
9.58
1n13C-3n2oA:
6.01
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.
3nwr A RUBISCO-LIKE
PROTEIN

(Paraburkholderia
fungorum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 GLU A  65
ARG A 133
ASP A  18
LEU A 130
 None
 0.92A 1n13B-3nwrA:
undetectable
1n13C-3nwrA:
undetectable		 1n13B-3nwrA:
12.53
1n13C-3nwrA:
8.00
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.
3ozx RNASE L INHIBITOR

(Sulfolobus
solfataricus) 		PF00005
(ABC_tran) 		4 ARG A 566
LEU A 520
ASP A 524
LEU A 549
 None
 1.01A 1n13B-3ozxA:
undetectable
1n13C-3ozxA:
undetectable		 1n13B-3ozxA:
12.28
1n13C-3ozxA:
7.82
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.
3pb9 GLUTAMINYL-PEPTIDE
CYCLOTRANSFERASE-LIK
E PROTEIN

(Homo sapiens) 		PF04389
(Peptidase_M28) 		4 GLU X 204
ARG X  92
LEU X 201
LEU X  88
 None
 1.19A 1n13B-3pb9X:
undetectable
1n13C-3pb9X:
undetectable		 1n13B-3pb9X:
14.94
1n13C-3pb9X:
9.38
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.
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		4 ARG B 333
LEU B 325
ASP B 329
LEU B 332
 None
 0.98A 1n13B-3pdiB:
undetectable
1n13C-3pdiB:
undetectable		 1n13B-3pdiB:
12.66
1n13C-3pdiB:
8.78
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.
3r1x 2-OXO-3-DEOXYGALACTO
NATE KINASE

(Klebsiella
pneumoniae) 		PF05035
(DGOK) 		4 ARG A 109
LEU A 146
ASP A 154
LEU A  81
 FMT  A 294 ( 4.6A)
None
FMT  A 294 (-3.4A)
None
 1.23A 1n13B-3r1xA:
undetectable
1n13C-3r1xA:
undetectable		 1n13B-3r1xA:
15.10
1n13C-3r1xA:
12.07
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.
3sqw ATP-DEPENDENT RNA
HELICASE MSS116,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ARG A 438
LEU A 273
ASP A 270
LEU A 308
 None
 1.13A 1n13B-3sqwA:
undetectable
1n13C-3sqwA:
undetectable		 1n13B-3sqwA:
12.78
1n13C-3sqwA:
7.02
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.
3u44 ATP-DEPENDENT
HELICASE/DEOXYRIBONU
CLEASE SUBUNIT B
ATP-DEPENDENT
HELICASE/NUCLEASE
SUBUNIT A

(Bacillus
subtilis) 		PF00580
(UvrD-helicase)
PF12705
(PDDEXK_1)
PF13361
(UvrD_C) 		4 GLU A  72
ARG B 617
LEU B 680
ASP B 611
 None
 1.10A 1n13B-3u44A:
undetectable
1n13C-3u44A:
undetectable		 1n13B-3u44A:
6.90
1n13C-3u44A:
5.34
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.
3ud2 ANKYRIN-1

(Homo sapiens) 		no annotation 4 GLU C 968
ARG C1210
LEU C1069
ASP C1003
 None
 0.88A 1n13B-3ud2C:
undetectable
1n13C-3ud2C:
undetectable		 1n13B-3ud2C:
13.19
1n13C-3ud2C:
9.82
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.
3vh6 CENP-T

(Gallus gallus) 		PF15511
(CENP-T_C) 		4 ARG T 585
LEU T 595
ASP T 592
LEU T 576
 None
 1.20A 1n13B-3vh6T:
undetectable
1n13C-3vh6T:
undetectable		 1n13B-3vh6T:
28.35
1n13C-3vh6T:
21.36
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.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		4 GLU A 214
ARG A 284
LEU A 211
ASP A 207
 None
 1.23A 1n13B-3vywA:
undetectable
1n13C-3vywA:
undetectable		 1n13B-3vywA:
17.38
1n13C-3vywA:
10.75
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.
3w0k BIFUNCTIONAL
ENDOMANNANASE/ENDOGL
UCANASE

(Caldanaerobius
polysaccharolyticus) 		PF00150
(Cellulase) 		4 GLU A 283
ARG A 272
LEU A 280
ASP A 276
 None
 1.06A 1n13B-3w0kA:
undetectable
1n13C-3w0kA:
undetectable		 1n13B-3w0kA:
15.24
1n13C-3w0kA:
12.54
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.
3zdn MONOAMINE OXIDASE N

(Aspergillus
niger) 		PF01593
(Amino_oxidase) 		4 GLU A 226
ARG A  77
ASP A 458
LEU A 310
 None
FAD  A1487 (-3.7A)
None
None
 1.07A 1n13B-3zdnA:
undetectable
1n13C-3zdnA:
undetectable		 1n13B-3zdnA:
12.50
1n13C-3zdnA:
8.78
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.
4e0f RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA

(Brucella
abortus) 		PF00677
(Lum_binding) 		4 GLU A  70
ARG A 192
LEU A  74
ASP A 108
 None
None
RBF  A 301 ( 4.8A)
None
 1.28A 1n13B-4e0fA:
undetectable
1n13C-4e0fA:
undetectable		 1n13B-4e0fA:
23.76
1n13C-4e0fA:
17.86
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.
4e1t INVASIN

(Yersinia
pseudotuberculosis) 		PF11924
(IAT_beta) 		4 ARG A 190
LEU A 378
ASP A 170
LEU A 169
 None
 1.23A 1n13B-4e1tA:
undetectable
1n13C-4e1tA:
undetectable		 1n13B-4e1tA:
16.87
1n13C-4e1tA:
12.35
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.
4egv ACETYL-COA
ACETYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		no annotation 4 GLU A 206
LEU A 202
ASP A 199
LEU A 195
 None
 1.24A 1n13B-4egvA:
0.7
1n13C-4egvA:
0.0		 1n13B-4egvA:
10.70
1n13C-4egvA:
8.32
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.
4eoc PHYCOCYANOBILIN:FERR
EDOXIN
OXIDOREDUCTASE

(Synechocystis
sp. PCC 6803) 		PF05996
(Fe_bilin_red) 		4 GLU A  76
ARG A  71
LEU A 243
ASP A 245
 None
None
BLA  A1001 (-4.6A)
None
 1.03A 1n13B-4eocA:
undetectable
1n13C-4eocA:
undetectable		 1n13B-4eocA:
19.83
1n13C-4eocA:
17.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fqd NIKO PROTEIN

(Streptomyces
tendae) 		PF00275
(EPSP_synthase) 		4 ARG A 439
LEU A 448
ASP A 444
LEU A 441
 None
 1.21A 1n13B-4fqdA:
undetectable
1n13C-4fqdA:
undetectable		 1n13B-4fqdA:
13.84
1n13C-4fqdA:
8.14
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.
4gxw ADENOSINE DEAMINASE

(Burkholderia
ambifaria) 		PF00962
(A_deaminase) 		4 GLU A  99
ARG A  52
ASP A  92
LEU A  87
 None
 0.95A 1n13B-4gxwA:
undetectable
1n13C-4gxwA:
undetectable		 1n13B-4gxwA:
14.89
1n13C-4gxwA:
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.
4jza UNCHARACTERIZED
PROTEIN

(Legionella
longbeachae) 		no annotation 4 ARG A 637
LEU A 149
ASP A 598
LEU A 595
 None
 1.26A 1n13B-4jzaA:
undetectable
1n13C-4jzaA:
undetectable		 1n13B-4jzaA:
8.55
1n13C-4jzaA:
5.39
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.
4llv 4E10 FV HEAVY CHAIN

(Homo sapiens) 		PF07686
(V-set) 		4 GLU A  46
ARG A  83
ASP A  86
LEU A  82
 None
 1.24A 1n13B-4llvA:
undetectable
1n13C-4llvA:
undetectable		 1n13B-4llvA:
23.66
1n13C-4llvA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m88 EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Verminephrobacter
eiseniae) 		PF13458
(Peripla_BP_6) 		4 GLU A 287
LEU A  21
ASP A  17
LEU A  14
 None
 1.01A 1n13B-4m88A:
undetectable
1n13C-4m88A:
undetectable		 1n13B-4m88A:
14.57
1n13C-4m88A:
10.00
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.
4mqb THYMIDYLATE KINASE

(Staphylococcus
aureus) 		PF02223
(Thymidylate_kin) 		4 GLU A  37
ARG A 177
ASP A  95
LEU A  98
 MES  A 301 (-4.4A)
None
None
None
 1.13A 1n13B-4mqbA:
undetectable
1n13C-4mqbA:
undetectable		 1n13B-4mqbA:
20.66
1n13C-4mqbA:
13.94
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.
4n81 INOSITOL
MONOPHOSPHATASE

(Zymomonas
mobilis) 		PF00459
(Inositol_P) 		4 ARG A  81
LEU A  12
ASP A   9
LEU A 115
 None
 1.12A 1n13B-4n81A:
undetectable
1n13C-4n81A:
undetectable		 1n13B-4n81A:
19.32
1n13C-4n81A:
13.73
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.
4nbq POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Coxiella
burnetii) 		PF00013
(KH_1)
PF00575
(S1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		4 GLU A  64
ARG A 152
ASP A 126
LEU A  93
 None
 1.24A 1n13B-4nbqA:
undetectable
1n13C-4nbqA:
undetectable		 1n13B-4nbqA:
9.83
1n13C-4nbqA:
6.01
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.
4nme PROLINE
DEHYDROGENASE AND
DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE

(Geobacter
sulfurreducens) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		4 GLU A 381
ARG A 136
ASP A 191
LEU A 190
 None
 1.08A 1n13B-4nmeA:
undetectable
1n13C-4nmeA:
undetectable		 1n13B-4nmeA:
6.77
1n13C-4nmeA:
4.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oku MICRONEMAL PROTEIN
MIC2

(Toxoplasma
gondii) 		PF00090
(TSP_1)
PF00092
(VWA) 		4 ARG A 176
LEU A 168
ASP A  76
LEU A  75
 None
 1.28A 1n13B-4okuA:
undetectable
1n13C-4okuA:
undetectable		 1n13B-4okuA:
15.61
1n13C-4okuA:
10.56
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.
4tz0 ATP-DEPENDENT RNA
HELICASE MSS116,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ARG A 438
LEU A 273
ASP A 270
LEU A 308
 None
 1.21A 1n13B-4tz0A:
undetectable
1n13C-4tz0A:
undetectable		 1n13B-4tz0A:
12.11
1n13C-4tz0A:
6.98
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.
4u4p STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
2
STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
4

(Homo sapiens) 		PF06470
(SMC_hinge) 		4 GLU A 568
ARG A 507
ASP B 578
LEU B 575
 None
 1.17A 1n13B-4u4pA:
undetectable
1n13C-4u4pA:
undetectable		 1n13B-4u4pA:
18.57
1n13C-4u4pA:
15.67
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.
4wis LIPID SCRAMBLASE

([Nectria]
haematococca) 		PF04547
(Anoctamin) 		4 GLU A 352
ARG A 505
LEU A 370
LEU A 377
 None
 1.21A 1n13B-4wisA:
undetectable
1n13C-4wisA:
undetectable		 1n13B-4wisA:
8.73
1n13C-4wisA:
5.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4woy MITOCHONDRIAL
DYNAMICS PROTEIN
MID49

(Mus musculus) 		PF03281
(Mab-21) 		4 ARG A 195
LEU A 331
ASP A 333
LEU A 334
 None
 1.15A 1n13B-4woyA:
undetectable
1n13C-4woyA:
undetectable		 1n13B-4woyA:
16.46
1n13C-4woyA:
11.56
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.
4yam BETA-ETHERASE

(Sphingobium sp.
SYK-6) 		PF13417
(GST_N_3) 		4 GLU A 209
ARG A 229
ASP A 218
LEU A 217
 None
 1.17A 1n13B-4yamA:
undetectable
1n13C-4yamA:
undetectable		 1n13B-4yamA:
15.87
1n13C-4yamA:
11.91
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.
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacterium
smegmatis) 		PF00933
(Glyco_hydro_3) 		4 ARG A 296
LEU A  70
ASP A 339
LEU A 308
 None
 0.85A 1n13B-4yyfA:
undetectable
1n13C-4yyfA:
undetectable		 1n13B-4yyfA:
13.61
1n13C-4yyfA:
9.12
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.
4zuz SIDC

(Legionella
pneumophila) 		no annotation 4 GLU A 795
LEU A 816
ASP A 812
LEU A 809
 None
 1.12A 1n13B-4zuzA:
undetectable
1n13C-4zuzA:
undetectable		 1n13B-4zuzA:
8.18
1n13C-4zuzA:
5.53
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.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT A

(Oryctolagus
cuniculus) 		PF01399
(PCI) 		4 GLU A 421
ARG A 307
LEU A 324
LEU A 299
 None
 1.11A 1n13B-5a5tA:
undetectable
1n13C-5a5tA:
undetectable		 1n13B-5a5tA:
5.60
1n13C-5a5tA:
3.55
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.
5b58 PUTATIVE HEMIN ABC
TRANSPORT SYSTEM,
MEMBRANE PROTEIN

(Burkholderia
cenocepacia) 		PF01032
(FecCD) 		4 ARG A  84
LEU A 340
ASP A 323
LEU A 324
 None
 1.19A 1n13B-5b58A:
undetectable
1n13C-5b58A:
undetectable		 1n13B-5b58A:
13.76
1n13C-5b58A:
10.00
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.
5bop NANOBODY
OCTARELLIN V.1

(Lama glama;
synthetic
construct) 		PF07686
(V-set)
no annotation 		4 ARG A  99
LEU B 156
ASP B 152
LEU A 102
 None
 1.15A 1n13B-5bopA:
undetectable
1n13C-5bopA:
undetectable		 1n13B-5bopA:
15.71
1n13C-5bopA:
20.93
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.
5cio PYRROLOQUINOLINE
QUINONE BIOSYNTHESIS
PROTEIN PQQF

(Serratia sp.
FS14) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 GLU A 495
ARG A 279
ASP A 269
LEU A 267
 None
 1.23A 1n13B-5cioA:
undetectable
1n13C-5cioA:
undetectable		 1n13B-5cioA:
8.26
1n13C-5cioA:
5.58
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.
5diz PROTEINACEOUS RNASE
P 2

(Arabidopsis
thaliana) 		PF16953
(PRORP)
PF17177
(PPR_long) 		4 GLU A 180
ARG A 117
LEU A 146
LEU A 154
 None
 1.21A 1n13B-5dizA:
undetectable
1n13C-5dizA:
undetectable		 1n13B-5dizA:
12.26
1n13C-5dizA:
6.40
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.
5g56 CARBOHYDRATE BINDING
FAMILY 6

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase)
PF03422
(CBM_6) 		4 GLU A 266
ARG A 436
LEU A 303
LEU A 296
 None
 1.16A 1n13B-5g56A:
undetectable
1n13C-5g56A:
undetectable		 1n13B-5g56A:
9.04
1n13C-5g56A:
5.00
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.
5gl7 METHIONINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF09334
(tRNA-synt_1g) 		4 ARG A 737
LEU A 681
ASP A 678
LEU A 674
 None
 0.80A 1n13B-5gl7A:
undetectable
1n13C-5gl7A:
undetectable		 1n13B-5gl7A:
11.48
1n13C-5gl7A:
8.70
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.
5h3o CYCLIC
NUCLEOTIDE-GATED
CATION CHANNEL

(Caenorhabditis
elegans) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF16526
(CLZ) 		4 ARG A 280
LEU A 216
ASP A 212
LEU A 209
 None
 0.81A 1n13B-5h3oA:
undetectable
1n13C-5h3oA:
undetectable		 1n13B-5h3oA:
8.77
1n13C-5h3oA:
5.75
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.
5ikj CRYPTIC LOCI
REGULATOR 2
CRYPTIC LOCI
REGULATOR PROTEIN 1

(Schizosaccharomyces
pombe) 		PF10383
(Clr2)
PF16761
(Clr2_transil)
no annotation 		4 GLU B1226
ARG A 232
ASP A 382
LEU A 383
 None
 1.06A 1n13B-5ikjB:
undetectable
1n13C-5ikjB:
undetectable		 1n13B-5ikjB:
19.66
1n13C-5ikjB:
20.45
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.
5mg3 PROTEIN TRANSLOCASE
SUBUNIT SECF

(Escherichia
coli) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		4 GLU F 132
LEU F  50
ASP F  51
LEU F 142
 None
 1.08A 1n13B-5mg3F:
undetectable
1n13C-5mg3F:
undetectable		 1n13B-5mg3F:
15.74
1n13C-5mg3F:
12.06
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.
5mqp GLYCOSIDE HYDROLASE
BT_1002

(Bacteroides
thetaiotaomicron) 		no annotation 4 GLU A 431
ARG A 346
LEU A 360
ASP A 361
 None
 1.29A 1n13B-5mqpA:
undetectable
1n13C-5mqpA:
undetectable		 1n13B-5mqpA:
9.76
1n13C-5mqpA:
6.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 GLU A 642
ARG A 691
LEU A 639
ASP A 635
 None
 1.24A 1n13B-5okoA:
undetectable
1n13C-5okoA:
undetectable		 1n13B-5okoA:
13.00
1n13C-5okoA:
7.88
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.
5oyn DEHYDRATASE,
ILVD/EDD FAMILY

(Caulobacter
vibrioides) 		no annotation 4 ARG A 528
LEU A 532
ASP A 530
LEU A 389
 None
 1.26A 1n13B-5oynA:
undetectable
1n13C-5oynA:
undetectable		 1n13B-5oynA:
15.84
1n13C-5oynA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5sup ATP-DEPENDENT RNA
HELICASE SUB2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ARG A 368
LEU A 221
ASP A 218
LEU A 250
 None
 1.15A 1n13B-5supA:
undetectable
1n13C-5supA:
undetectable		 1n13B-5supA:
15.72
1n13C-5supA:
9.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v8t UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei;
Saccharomyces
cerevisiae) 		no annotation 4 GLU A 107
LEU A  15
ASP A -37
LEU A -35
 None
 1.29A 1n13B-5v8tA:
undetectable
1n13C-5v8tA:
undetectable		 1n13B-5v8tA:
26.67
1n13C-5v8tA:
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.
5wy3 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		no annotation 4 ARG A  72
LEU A  61
ASP A  65
LEU A  70
 None
 1.18A 1n13B-5wy3A:
undetectable
1n13C-5wy3A:
undetectable		 1n13B-5wy3A:
15.08
1n13C-5wy3A:
8.23
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.
5x8j THYMIDYLATE KINASE

(Thermus
thermophilus) 		no annotation 4 GLU A  39
ARG A 172
ASP A  94
LEU A  97
 None
 0.98A 1n13B-5x8jA:
undetectable
1n13C-5x8jA:
undetectable		 1n13B-5x8jA:
22.52
1n13C-5x8jA:
19.28
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.
5xko CYTIDINE/DEOXYCYTIDY
LATE DEAMINASE,
ZINC-BINDING REGION

(Mycolicibacterium
smegmatis) 		PF00383
(dCMP_cyt_deam_1) 		4 GLU A 144
ARG A 100
LEU A   8
ASP A   7
 None
 0.85A 1n13B-5xkoA:
undetectable
1n13C-5xkoA:
undetectable		 1n13B-5xkoA:
16.88
1n13C-5xkoA:
13.55
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.
5xnm PHOTOSYSTEM II CP47
REACTION CENTER
PROTEIN

(Pisum sativum) 		no annotation 4 GLU B 283
ARG B 358
LEU B 309
ASP B 313
 None
 1.22A 1n13B-5xnmB:
undetectable
1n13C-5xnmB:
undetectable		 1n13B-5xnmB:
13.88
1n13C-5xnmB:
7.50
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.
6bhu MULTIDRUG
RESISTANCE-ASSOCIATE
D PROTEIN 1

(Bos taurus) 		no annotation 4 ARG A1327
LEU A 753
ASP A 749
LEU A 746
 None
 1.17A 1n13B-6bhuA:
undetectable
1n13C-6bhuA:
undetectable		 1n13B-6bhuA:
0.88
1n13C-6bhuA:
0.00
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.
6bpz PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT
1,PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT
1,MOUSE
PIEZO1,PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT
1,PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1

(Mus musculus) 		no annotation 4 GLU A2522
ARG A2040
LEU A2519
ASP A2144
 None
 1.08A 1n13B-6bpzA:
undetectable
1n13C-6bpzA:
undetectable		 1n13B-6bpzA:
18.58
1n13C-6bpzA:
23.75
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.
6d6k POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Acinetobacter
baumannii) 		no annotation 4 GLU A  66
ARG A 154
ASP A 128
LEU A  95
 None
 1.28A 1n13B-6d6kA:
undetectable
1n13C-6d6kA:
undetectable		 1n13B-6d6kA:
19.81
1n13C-6d6kA:
21.52
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.
6d6q EXOSOME RNA HELICASE
MTR4

(Homo sapiens) 		no annotation 4 GLU M 990
LEU M 438
ASP M 435
LEU M 431
 None
 1.15A 1n13B-6d6qM:
undetectable
1n13C-6d6qM:
undetectable		 1n13B-6d6qM:
20.75
1n13C-6d6qM:
20.78
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.
6d6v TELOMERASE
HOLOENZYME TEB
HETEROTRIMER TEB3
SUBUNIT

(Tetrahymena
thermophila) 		no annotation 4 ARG F  60
LEU F  78
ASP F  57
LEU F  41
 None
 1.19A 1n13B-6d6vF:
undetectable
1n13C-6d6vF:
undetectable		 1n13B-6d6vF:
20.00
1n13C-6d6vF:
27.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6enz ACIDIC AMINO ACID
DECARBOXYLASE GADL1

(Mus musculus) 		no annotation 4 GLU A 137
LEU A 141
ASP A 154
LEU A 334
 None
 1.02A 1n13B-6enzA:
undetectable
1n13C-6enzA:
undetectable		 1n13B-6enzA:
21.62
1n13C-6enzA:
27.06