SIMILAR PATTERNS OF AMINO ACIDS FOR 2QQD_A_AG2A671_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.
1bhw XYLOSE ISOMERASE

(Actinoplanes
missouriensis) 		PF01261
(AP_endonuc_2) 		4 LEU A 134
LEU A 162
ILE A 116
MET A 123
 None
 0.96A 2qqdA-1bhwA:
0.0
2qqdE-1bhwA:
0.0		 2qqdA-1bhwA:
10.34
2qqdE-1bhwA:
14.11
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.
1c3c PROTEIN
(ADENYLOSUCCINATE
LYASE)

(Thermotoga
maritima) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		4 LEU A 117
LEU A 226
ILE A 228
MET A 161
 None
 1.03A 2qqdA-1c3cA:
0.0
2qqdE-1c3cA:
0.0		 2qqdA-1c3cA:
8.70
2qqdE-1c3cA:
13.29
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.
1ecm ENDO-OXABICYCLIC
TRANSITION STATE
ANALOGUE

(Escherichia
coli) 		PF01817
(CM_2) 		4 LEU A  79
ASP A  83
LEU A  86
ARG A  29
 None
 0.97A 2qqdA-1ecmA:
undetectable
2qqdE-1ecmA:
undetectable		 2qqdA-1ecmA:
18.18
2qqdE-1ecmA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fvf SEC1

(Doryteuthis
pealeii) 		PF00995
(Sec1) 		4 ASP A  87
LEU A  84
ILE A  29
ARG A  62
 None
 1.00A 2qqdA-1fvfA:
0.0
2qqdE-1fvfA:
0.0		 2qqdA-1fvfA:
7.04
2qqdE-1fvfA:
11.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gt9 KUMAMOLYSIN

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		4 LEU 1 343
ASP 1 252
LEU 1 188
ARG 1 248
 None
 0.73A 2qqdA-1gt91:
0.0
2qqdE-1gt91:
0.0		 2qqdA-1gt91:
10.14
2qqdE-1gt91:
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.
1itu RENAL DIPEPTIDASE

(Homo sapiens) 		PF01244
(Peptidase_M19) 		4 LEU A  35
LEU A  45
ILE A  52
MET A  95
 None
None
None
NAG  A 461 (-3.7A)
 0.87A 2qqdA-1ituA:
0.0
2qqdE-1ituA:
0.0		 2qqdA-1ituA:
10.03
2qqdE-1ituA:
14.36
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.
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 LEU A 127
LEU A 149
ILE A 147
GLU A 134
 None
 1.02A 2qqdA-1jmzA:
0.0
2qqdE-1jmzA:
0.0		 2qqdA-1jmzA:
7.95
2qqdE-1jmzA:
12.24
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.
1kob TWITCHIN

(Aplysia
californica) 		PF00069
(Pkinase) 		4 ASP A 232
LEU A 173
ILE A 170
GLU A 373
 None
 0.97A 2qqdA-1kobA:
0.0
2qqdE-1kobA:
0.0		 2qqdA-1kobA:
10.62
2qqdE-1kobA:
17.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ors 33H1 FAB HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASP B  90
LEU B  18
ILE B  68
ARG B  67
 None
 1.00A 2qqdA-1orsB:
0.0
2qqdE-1orsB:
0.0		 2qqdA-1orsB:
11.54
2qqdE-1orsB:
19.52
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.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
40 KDA SUBUNIT
QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
9 KDA SUBUNIT

(Paracoccus
denitrificans) 		PF08992
(QH-AmDH_gamma)
no annotation 		4 LEU C  51
ASP C  39
LEU B 327
ARG B   9
 None
None
TRW  C  43 ( 4.2A)
None
 0.90A 2qqdA-1pbyC:
undetectable
2qqdE-1pbyC:
undetectable		 2qqdA-1pbyC:
22.67
2qqdE-1pbyC:
23.23
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.
1qas PHOSPHOLIPASE C
DELTA-1

(Rattus
norvegicus) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		4 LEU A 547
LEU A 436
ILE A 496
MET A 520
 None
 1.06A 2qqdA-1qasA:
undetectable
2qqdE-1qasA:
undetectable		 2qqdA-1qasA:
6.71
2qqdE-1qasA:
10.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ryy ALPHA-AMINO ACID
ESTER HYDROLASE

(Acetobacter
pasteurianus) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		4 LEU A 497
LEU A 623
ILE A 572
MET A 570
 None
 0.97A 2qqdA-1ryyA:
undetectable
2qqdE-1ryyA:
undetectable		 2qqdA-1ryyA:
7.41
2qqdE-1ryyA:
10.63
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.
1s5t DIHYDRODIPICOLINATE
SYNTHASE

(Escherichia
coli) 		PF00701
(DHDPS) 		4 LEU A 236
ASP A 188
LEU A 243
MET A 214
 None
 1.04A 2qqdA-1s5tA:
undetectable
2qqdE-1s5tA:
undetectable		 2qqdA-1s5tA:
13.77
2qqdE-1s5tA:
16.37
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.
1t1e KUMAMOLISIN

(Bacillus sp.
MN-32) 		PF00082
(Peptidase_S8)
PF09286
(Pro-kuma_activ) 		4 LEU A 532
ASP A 441
LEU A 377
ARG A 437
 None
 0.81A 2qqdA-1t1eA:
undetectable
2qqdE-1t1eA:
undetectable		 2qqdA-1t1eA:
7.51
2qqdE-1t1eA:
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.
1tlt PUTATIVE
OXIDOREDUCTASE
(VIRULENCE FACTOR
MVIM HOMOLOG)

(Escherichia
coli) 		PF01408
(GFO_IDH_MocA) 		4 LEU A 168
ASP A 172
LEU A 175
ARG A 126
 None
 0.98A 2qqdA-1tltA:
undetectable
2qqdE-1tltA:
undetectable		 2qqdA-1tltA:
13.08
2qqdE-1tltA:
16.82
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.
1u3d CRYPTOCHROME 1
APOPROTEIN

(Arabidopsis
thaliana) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 LEU A  67
ASP A  71
LEU A  74
ILE A  82
 None
 0.87A 2qqdA-1u3dA:
undetectable
2qqdE-1u3dA:
undetectable		 2qqdA-1u3dA:
8.79
2qqdE-1u3dA:
12.93
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.
1vc4 INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF00218
(IGPS) 		4 LEU A 133
ASP A 113
ILE A  15
GLU A 160
 None
 1.07A 2qqdA-1vc4A:
undetectable
2qqdE-1vc4A:
undetectable		 2qqdA-1vc4A:
13.45
2qqdE-1vc4A:
19.84
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.
1wg8 PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01795
(Methyltransf_5) 		4 LEU A  94
ASP A  96
LEU A  97
ARG A 271
 None
SAM  A3142 (-3.5A)
None
SAM  A3142 (-3.2A)
 0.99A 2qqdA-1wg8A:
undetectable
2qqdE-1wg8A:
undetectable		 2qqdA-1wg8A:
13.65
2qqdE-1wg8A:
18.79
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.
1x3w PEPTIDE:N-GLYCANASE

(Saccharomyces
cerevisiae) 		PF03835
(Rad4) 		4 ASP A 268
ILE A 274
GLU A 222
ARG A 281
 None
 1.05A 2qqdA-1x3wA:
undetectable
2qqdE-1x3wA:
undetectable		 2qqdA-1x3wA:
11.49
2qqdE-1x3wA:
14.29
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.
1xkp PUTATIVE
MEMBRANE-BOUND YOP
TARGETING PROTEIN
YOPN

(Yersinia pestis) 		PF07201
(HrpJ) 		4 ASP A 242
LEU A 239
ILE A 180
GLU A 172
 None
 1.02A 2qqdA-1xkpA:
undetectable
2qqdE-1xkpA:
undetectable		 2qqdA-1xkpA:
13.97
2qqdE-1xkpA:
17.27
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.
1xl3 SECRETION CONTROL
PROTEIN

(Yersinia pestis) 		PF07201
(HrpJ) 		4 ASP A 242
LEU A 239
ILE A 180
GLU A 172
 None
 1.02A 2qqdA-1xl3A:
undetectable
2qqdE-1xl3A:
undetectable		 2qqdA-1xl3A:
15.68
2qqdE-1xl3A:
17.06
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.
1yac YCAC GENE PRODUCT

(Escherichia
coli) 		PF00857
(Isochorismatase) 		4 LEU A  24
ASP A  19
ILE A  88
ARG A  84
 None
 1.05A 2qqdA-1yacA:
undetectable
2qqdE-1yacA:
undetectable		 2qqdA-1yacA:
16.93
2qqdE-1yacA:
18.18
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.
1yve ACETOHYDROXY ACID
ISOMEROREDUCTASE

(Spinacia
oleracea) 		PF01450
(IlvC)
PF07991
(IlvN) 		4 LEU I 323
LEU I 479
ILE I 490
GLU I 496
 HIO  I 603 ( 4.4A)
None
None
HIO  I 603 (-2.8A)
 1.01A 2qqdA-1yveI:
undetectable
2qqdE-1yveI:
undetectable		 2qqdA-1yveI:
10.66
2qqdE-1yveI:
12.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a3l AMP DEAMINASE

(Arabidopsis
thaliana) 		PF00962
(A_deaminase) 		4 LEU A 544
ASP A 598
ILE A 679
GLU A 511
 None
 1.03A 2qqdA-2a3lA:
undetectable
2qqdE-2a3lA:
undetectable		 2qqdA-2a3lA:
6.18
2qqdE-2a3lA:
11.09
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.
2ahw PUTATIVE ENZYME YDIF

(Escherichia
coli) 		PF01144
(CoA_trans) 		4 LEU A 462
ASP A 463
ILE A 413
ARG A 465
 None
 1.05A 2qqdA-2ahwA:
undetectable
2qqdE-2ahwA:
undetectable		 2qqdA-2ahwA:
7.31
2qqdE-2ahwA:
12.48
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.
2be3 GTP
PYROPHOSPHOKINASE

(Streptococcus
pneumoniae) 		PF04607
(RelA_SpoT) 		4 LEU A 145
LEU A 183
GLU A  40
ARG A 117
 None
 1.03A 2qqdA-2be3A:
undetectable
2qqdE-2be3A:
undetectable		 2qqdA-2be3A:
12.50
2qqdE-2be3A:
16.81
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.
2e3z BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF00232
(Glyco_hydro_1) 		4 LEU A 138
LEU A 126
ILE A 174
GLU A 193
 None
 1.08A 2qqdA-2e3zA:
undetectable
2qqdE-2e3zA:
undetectable		 2qqdA-2e3zA:
8.62
2qqdE-2e3zA:
11.69
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.
2g42 HYPOTHETICAL PROTEIN
TM_0693

(Thermotoga
maritima) 		no annotation 4 LEU A  52
ASP A  48
LEU A  45
ARG A  29
 None
 0.83A 2qqdA-2g42A:
undetectable
2qqdE-2g42A:
undetectable		 2qqdA-2g42A:
24.05
2qqdE-2g42A:
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.
2gl8 RETINOIC ACID
RECEPTOR RXR-GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 LEU A 146
LEU A 204
ILE A 152
GLU A  21
 None
 1.06A 2qqdA-2gl8A:
undetectable
2qqdE-2gl8A:
undetectable		 2qqdA-2gl8A:
12.55
2qqdE-2gl8A:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j2m CATALASE

(Exiguobacterium
oxidotolerans) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 LEU A 278
LEU A 265
ILE A 213
GLU A 328
 None
 1.01A 2qqdA-2j2mA:
undetectable
2qqdE-2j2mA:
undetectable		 2qqdA-2j2mA:
7.95
2qqdE-2j2mA:
11.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jgp TYROCIDINE
SYNTHETASE 3

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		4 LEU A 467
ASP A 466
LEU A 289
ARG A 297
 None
 0.88A 2qqdA-2jgpA:
undetectable
2qqdE-2jgpA:
1.1		 2qqdA-2jgpA:
8.75
2qqdE-2jgpA:
11.37
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.
2mhf UNCHARACTERIZED
PROTEIN

(Danio rerio) 		PF00027
(cNMP_binding) 		4 LEU A  67
LEU A 132
ILE A  38
MET A  55
 None
 1.03A 2qqdA-2mhfA:
undetectable
2qqdE-2mhfA:
undetectable		 2qqdA-2mhfA:
25.49
2qqdE-2mhfA:
23.70
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.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 LEU A 199
ASP A 145
ILE A 333
ARG A 277
 None
 0.92A 2qqdA-2p3xA:
undetectable
2qqdE-2p3xA:
undetectable		 2qqdA-2p3xA:
9.23
2qqdE-2p3xA:
14.24
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.
2pbg 6-PHOSPHO-BETA-D-GAL
ACTOSIDASE

(Lactococcus
lactis) 		PF00232
(Glyco_hydro_1) 		4 LEU A 284
ASP A 280
LEU A 276
ARG A 132
 None
 0.65A 2qqdA-2pbgA:
undetectable
2qqdE-2pbgA:
undetectable		 2qqdA-2pbgA:
7.21
2qqdE-2pbgA:
15.97
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.
2r17 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 35

(Homo sapiens) 		PF03635
(Vps35) 		4 LEU C 589
LEU C 630
ILE C 632
MET C 638
 None
 0.93A 2qqdA-2r17C:
undetectable
2qqdE-2r17C:
undetectable		 2qqdA-2r17C:
9.40
2qqdE-2r17C:
16.78
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.
2wv3 NEUROPLASTIN

(Rattus
norvegicus) 		PF13927
(Ig_3) 		4 LEU A 186
ASP A 165
GLU A 102
ARG A 143
 None
 1.02A 2qqdA-2wv3A:
undetectable
2qqdE-2wv3A:
undetectable		 2qqdA-2wv3A:
17.61
2qqdE-2wv3A:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ynk WZI

(Escherichia
coli) 		PF14052
(Caps_assemb_Wzi) 		4 LEU A  40
ASP A  36
LEU A  33
ARG A 404
 None
 0.80A 2qqdA-2ynkA:
undetectable
2qqdE-2ynkA:
undetectable		 2qqdA-2ynkA:
7.47
2qqdE-2ynkA:
14.08
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.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		4 LEU A 547
LEU A 539
ILE A 561
GLU A 737
 None
 1.08A 2qqdA-3aibA:
undetectable
2qqdE-3aibA:
undetectable		 2qqdA-3aibA:
5.46
2qqdE-3aibA:
8.06
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.
3d4j DIPHOSPHOMEVALONATE
DECARBOXYLASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N) 		4 LEU A 255
ASP A 259
GLU A 239
ARG A 228
 None
 1.06A 2qqdA-3d4jA:
undetectable
2qqdE-3d4jA:
undetectable		 2qqdA-3d4jA:
8.90
2qqdE-3d4jA:
14.57
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.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		4 LEU A 367
LEU A 425
ILE A 373
GLU A 239
 None
 1.05A 2qqdA-3dzuA:
undetectable
2qqdE-3dzuA:
undetectable		 2qqdA-3dzuA:
9.07
2qqdE-3dzuA:
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.
3e13 PUTATIVE IRON-UPTAKE
ABC TRANSPORT
SYSTEM,PERIPLASMIC
IRON-BINDING PROTEIN

(Campylobacter
jejuni) 		PF13343
(SBP_bac_6) 		4 LEU X 269
LEU X 261
ILE X 241
GLU X 275
 None
 1.02A 2qqdA-3e13X:
undetectable
2qqdE-3e13X:
undetectable		 2qqdA-3e13X:
15.04
2qqdE-3e13X:
16.88
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.
3eez PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Ruegeria
pomeroyi) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A  31
ASP A  32
ILE A  65
ARG A  66
 None
 0.99A 2qqdA-3eezA:
undetectable
2qqdE-3eezA:
0.7		 2qqdA-3eezA:
10.51
2qqdE-3eezA:
15.41
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.
3fr8 PUTATIVE KETOL-ACID
REDUCTOISOMERASE
(OS05G0573700
PROTEIN)

(Oryza sativa) 		PF01450
(IlvC)
PF07991
(IlvN) 		4 LEU A 323
LEU A 479
ILE A 490
GLU A 496
 None
None
None
MG  A   1 ( 3.0A)
 1.03A 2qqdA-3fr8A:
undetectable
2qqdE-3fr8A:
undetectable		 2qqdA-3fr8A:
11.20
2qqdE-3fr8A:
11.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k92 NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 LEU A 344
ASP A 401
ILE A  24
GLU A 323
 None
 0.94A 2qqdA-3k92A:
undetectable
2qqdE-3k92A:
undetectable		 2qqdA-3k92A:
8.94
2qqdE-3k92A:
14.77
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.
3lvg CLATHRIN HEAVY CHAIN
1

(Bos taurus) 		PF00637
(Clathrin) 		4 LEU A1361
LEU A1336
ILE A1345
GLU A1353
 None
 1.02A 2qqdA-3lvgA:
undetectable
2qqdE-3lvgA:
undetectable		 2qqdA-3lvgA:
8.59
2qqdE-3lvgA:
11.38
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.
3mi9 CELL DIVISION
PROTEIN KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A 212
ASP A 211
LEU A 146
ILE A 140
 None
 1.07A 2qqdA-3mi9A:
undetectable
2qqdE-3mi9A:
undetectable		 2qqdA-3mi9A:
13.01
2qqdE-3mi9A:
14.55
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.
3ozx RNASE L INHIBITOR

(Sulfolobus
solfataricus) 		PF00005
(ABC_tran) 		4 LEU A 520
ASP A 524
LEU A 549
ARG A 566
 None
 1.00A 2qqdA-3ozxA:
undetectable
2qqdE-3ozxA:
undetectable		 2qqdA-3ozxA:
7.53
2qqdE-3ozxA:
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.
3pb0 DIHYDRODIPICOLINATE
SYNTHASE

(Thermotoga
maritima) 		PF00701
(DHDPS) 		4 LEU A 239
ASP A 191
LEU A 246
MET A 217
 None
 1.07A 2qqdA-3pb0A:
undetectable
2qqdE-3pb0A:
undetectable		 2qqdA-3pb0A:
11.45
2qqdE-3pb0A:
20.07
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.
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		4 LEU B 325
ASP B 329
LEU B 332
ARG B 333
 None
 0.95A 2qqdA-3pdiB:
undetectable
2qqdE-3pdiB:
undetectable		 2qqdA-3pdiB:
8.78
2qqdE-3pdiB:
12.75
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.
3pfe SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Legionella
pneumophila) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 LEU A 311
LEU A 358
ILE A 372
MET A 339
 None
 1.03A 2qqdA-3pfeA:
undetectable
2qqdE-3pfeA:
undetectable		 2qqdA-3pfeA:
8.59
2qqdE-3pfeA:
12.50
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.
3poy NEUREXIN-1-ALPHA

(Bos taurus) 		PF00008
(EGF)
PF02210
(Laminin_G_2) 		4 LEU A 630
LEU A 575
ILE A 584
MET A 579
 None
 1.05A 2qqdA-3poyA:
undetectable
2qqdE-3poyA:
undetectable		 2qqdA-3poyA:
5.33
2qqdE-3poyA:
6.90
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.
3qmw THIOESTERASE

(Streptomyces
coelicolor) 		PF00975
(Thioesterase) 		4 ASP A 186
LEU A 183
MET A 108
ARG A  69
 None
 1.00A 2qqdA-3qmwA:
undetectable
2qqdE-3qmwA:
undetectable		 2qqdA-3qmwA:
12.61
2qqdE-3qmwA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t5v NUCLEAR MRNA EXPORT
PROTEIN THP1

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		4 LEU B 407
LEU B 372
ILE B 311
MET B 340
 None
 0.99A 2qqdA-3t5vB:
undetectable
2qqdE-3t5vB:
undetectable		 2qqdA-3t5vB:
7.97
2qqdE-3t5vB:
13.19
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.
3t90 GLUCOSE-6-PHOSPHATE
ACETYLTRANSFERASE 1

(Arabidopsis
thaliana) 		PF00583
(Acetyltransf_1) 		4 ASP A  14
LEU A  10
GLU A  21
ARG A   8
 None
 1.08A 2qqdA-3t90A:
undetectable
2qqdE-3t90A:
undetectable		 2qqdA-3t90A:
17.81
2qqdE-3t90A:
24.84
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.
3tkl LIDA PROTEIN,
SUBSTRATE OF THE
DOT/ICM SYSTEM

(Legionella
pneumophila) 		no annotation 4 LEU B 434
ILE B 395
MET B 402
GLU B 401
 None
 1.06A 2qqdA-3tklB:
undetectable
2qqdE-3tklB:
undetectable		 2qqdA-3tklB:
13.30
2qqdE-3tklB:
22.44
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.
3tkl LIDA PROTEIN,
SUBSTRATE OF THE
DOT/ICM SYSTEM

(Legionella
pneumophila) 		no annotation 4 LEU B 434
LEU B 441
MET B 402
GLU B 401
 None
 0.97A 2qqdA-3tklB:
undetectable
2qqdE-3tklB:
undetectable		 2qqdA-3tklB:
13.30
2qqdE-3tklB:
22.44
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.
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 LEU B 680
ASP B 611
GLU A  72
ARG B 617
 None
 1.03A 2qqdA-3u44B:
undetectable
2qqdE-3u44B:
undetectable		 2qqdA-3u44B:
3.77
2qqdE-3u44B:
6.75
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 LEU A1729
LEU A1770
ILE A1758
MET A1744
 None
 1.07A 2qqdA-3vkgA:
undetectable
2qqdE-3vkgA:
undetectable		 2qqdA-3vkgA:
2.26
2qqdE-3vkgA:
3.12
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.
3zdn MONOAMINE OXIDASE N

(Aspergillus
niger) 		PF01593
(Amino_oxidase) 		4 ASP A 458
LEU A 310
GLU A 226
ARG A  77
 None
None
None
FAD  A1487 (-3.7A)
 0.98A 2qqdA-3zdnA:
undetectable
2qqdE-3zdnA:
0.2		 2qqdA-3zdnA:
9.59
2qqdE-3zdnA:
13.15
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.
3zpc RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBD

(Acinetobacter
baumannii) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		4 LEU A 274
LEU A 295
ILE A 198
MET A 251
 None
 1.06A 2qqdA-3zpcA:
undetectable
2qqdE-3zpcA:
1.7		 2qqdA-3zpcA:
10.29
2qqdE-3zpcA:
14.17
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.
3zx1 OXIDOREDUCTASE,
PUTATIVE

(Campylobacter
jejuni) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 LEU A  55
ASP A 224
ILE A 229
GLU A 244
 EDO  A1516 ( 4.6A)
None
None
None
 0.99A 2qqdA-3zx1A:
undetectable
2qqdE-3zx1A:
undetectable		 2qqdA-3zx1A:
6.82
2qqdE-3zx1A:
13.24
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.
4a2v RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF11648
(RIG-I_C-RD) 		4 LEU A 836
ILE A 828
MET A 926
GLU A 925
 None
 0.99A 2qqdA-4a2vA:
undetectable
2qqdE-4a2vA:
undetectable		 2qqdA-4a2vA:
20.65
2qqdE-4a2vA:
21.17
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.
4a9a RIBOSOME-INTERACTING
GTPASE 1

(Saccharomyces
cerevisiae) 		PF01926
(MMR_HSR1)
PF02824
(TGS)
PF16897
(MMR_HSR1_Xtn) 		4 LEU A  31
LEU A  38
MET A  15
GLU A  14
 None
 0.93A 2qqdA-4a9aA:
undetectable
2qqdE-4a9aA:
undetectable		 2qqdA-4a9aA:
11.71
2qqdE-4a9aA:
15.38
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.
4btm TAU-TUBULIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A 246
ASP A 245
LEU A 175
ILE A 169
 None
 1.06A 2qqdA-4btmA:
undetectable
2qqdE-4btmA:
undetectable		 2qqdA-4btmA:
9.51
2qqdE-4btmA:
19.31
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.
4buj ANTIVIRAL PROTEIN
SKI8

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 LEU C 343
ASP C 385
LEU C 384
ILE C  19
 None
 1.02A 2qqdA-4bujC:
undetectable
2qqdE-4bujC:
undetectable		 2qqdA-4bujC:
9.77
2qqdE-4bujC:
14.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cmw DITERPENE SYNTHASE

(Mycobacterium
tuberculosis) 		no annotation 4 LEU A 119
LEU A 144
ILE A 146
GLU A 196
 EDO  A1297 (-3.9A)
None
None
None
 1.07A 2qqdA-4cmwA:
undetectable
2qqdE-4cmwA:
undetectable		 2qqdA-4cmwA:
13.46
2qqdE-4cmwA:
15.88
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.
4jhv LACCASE

(Coriolopsis
caperata) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ASP A 131
ILE A 220
GLU A 308
ARG A 196
 None
 1.05A 2qqdA-4jhvA:
undetectable
2qqdE-4jhvA:
undetectable		 2qqdA-4jhvA:
9.42
2qqdE-4jhvA:
11.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jyj ENOYL-COA
HYDRATASE/ISOMERASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		4 ASP A 233
LEU A 236
ILE A 138
GLU A 133
 None
None
None
UNL  A 301 ( 2.7A)
 0.91A 2qqdA-4jyjA:
undetectable
2qqdE-4jyjA:
undetectable		 2qqdA-4jyjA:
10.30
2qqdE-4jyjA:
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.
4kvl FATTY ACID
ALPHA-OXIDASE

(Oryza sativa) 		PF03098
(An_peroxidase) 		4 LEU A 530
ASP A 528
LEU A 527
ILE A 519
 None
 1.05A 2qqdA-4kvlA:
undetectable
2qqdE-4kvlA:
undetectable		 2qqdA-4kvlA:
6.61
2qqdE-4kvlA:
11.00
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.
4mm1 GERANYLGERANYLGLYCER
YL PHOSPHATE
SYNTHASE

(Methanothermobacter
thermautotrophicus) 		PF01884
(PcrB) 		4 LEU A 126
LEU A  21
ILE A  76
GLU A 124
 None
 0.98A 2qqdA-4mm1A:
undetectable
2qqdE-4mm1A:
undetectable		 2qqdA-4mm1A:
12.96
2qqdE-4mm1A:
21.96
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.
4n78 ABL INTERACTOR 2
CYTOPLASMIC
FMR1-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF05994
(FragX_IP)
PF07159
(DUF1394)
PF07815
(Abi_HHR) 		4 LEU F 112
ILE A1100
MET A 930
GLU A 931
 None
 0.98A 2qqdA-4n78F:
undetectable
2qqdE-4n78F:
undetectable		 2qqdA-4n78F:
7.60
2qqdE-4n78F:
11.13
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.
4nfn TAU-TUBULIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A 222
ASP A 221
LEU A 151
ILE A 145
 None
 1.05A 2qqdA-4nfnA:
undetectable
2qqdE-4nfnA:
undetectable		 2qqdA-4nfnA:
9.03
2qqdE-4nfnA:
19.31
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.
4nq1 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Legionella
pneumophila) 		PF00701
(DHDPS) 		4 LEU A 235
ASP A 187
LEU A 242
MET A 213
 None
 0.97A 2qqdA-4nq1A:
undetectable
2qqdE-4nq1A:
undetectable		 2qqdA-4nq1A:
13.72
2qqdE-4nq1A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nu2 ANTIFREEZE PROTEIN

(Flavobacterium
frigoris) 		PF11999
(DUF3494) 		4 LEU A  67
LEU A  64
ILE A 195
ARG A 149
 None
 1.05A 2qqdA-4nu2A:
undetectable
2qqdE-4nu2A:
undetectable		 2qqdA-4nu2A:
18.24
2qqdE-4nu2A:
16.94
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.
4trq NUCLEAR MRNA EXPORT
PROTEIN THP1

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		4 LEU B 407
LEU B 372
ILE B 311
MET B 340
 None
 0.94A 2qqdA-4trqB:
undetectable
2qqdE-4trqB:
undetectable		 2qqdA-4trqB:
9.57
2qqdE-4trqB:
16.42
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.
4wd0 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)METHYLIDENEAM
INO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Paenarthrobacter
aurescens) 		PF00977
(His_biosynth) 		4 LEU A  12
LEU A   9
GLU A  84
ARG A 247
 None
None
None
GOL  A 303 (-4.9A)
 1.05A 2qqdA-4wd0A:
undetectable
2qqdE-4wd0A:
undetectable		 2qqdA-4wd0A:
13.81
2qqdE-4wd0A:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ye5 PEPTIDOGLYCAN
SYNTHETASE
PENICILLIN-BINDING
PROTEIN 3

(Bifidobacterium
adolescentis) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		4 LEU A 215
ASP A 248
ILE A  76
GLU A 208
 None
 1.06A 2qqdA-4ye5A:
undetectable
2qqdE-4ye5A:
undetectable		 2qqdA-4ye5A:
7.14
2qqdE-4ye5A:
10.66
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.
4yj1 UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF09818
(ABC_ATPase) 		4 LEU A 247
ASP A 345
LEU A 405
ILE A 330
 None
 1.06A 2qqdA-4yj1A:
undetectable
2qqdE-4yj1A:
undetectable		 2qqdA-4yj1A:
6.17
2qqdE-4yj1A:
12.55
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.
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacterium
smegmatis) 		PF00933
(Glyco_hydro_3) 		4 LEU A  70
ASP A 339
LEU A 308
ARG A 296
 None
 0.88A 2qqdA-4yyfA:
undetectable
2qqdE-4yyfA:
undetectable		 2qqdA-4yyfA:
9.04
2qqdE-4yyfA:
13.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z2e DNA GYRASE SUBUNIT A

(Streptococcus
pneumoniae) 		PF00521
(DNA_topoisoIV) 		4 LEU A 447
ASP A 450
ILE A 464
ARG A 460
 None
 0.96A 2qqdA-4z2eA:
undetectable
2qqdE-4z2eA:
undetectable		 2qqdA-4z2eA:
9.29
2qqdE-4z2eA:
14.15
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.
4zfm PUTATIVE
6-PHOSPHO-BETA-GALAC
TOBIOSIDASE

(Geobacillus
stearothermophilus) 		PF00232
(Glyco_hydro_1) 		4 LEU A 288
ASP A 284
ILE A 200
ARG A 141
 None
 1.07A 2qqdA-4zfmA:
undetectable
2qqdE-4zfmA:
undetectable		 2qqdA-4zfmA:
7.08
2qqdE-4zfmA:
12.66
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.
4zng PROLIDASE

(Lactococcus
lactis) 		no annotation 4 LEU C 342
ASP C 340
ILE C 338
MET C 261
 None
 1.00A 2qqdA-4zngC:
undetectable
2qqdE-4zngC:
undetectable		 2qqdA-4zngC:
9.97
2qqdE-4zngC:
22.00
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 LEU A 681
ASP A 678
LEU A 674
ARG A 737
 None
 0.82A 2qqdA-5gl7A:
undetectable
2qqdE-5gl7A:
undetectable		 2qqdA-5gl7A:
8.50
2qqdE-5gl7A:
11.48
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.
5h3o CYCLIC
NUCLEOTIDE-GATED
CATION CHANNEL

(Caenorhabditis
elegans) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF16526
(CLZ) 		4 LEU A 216
ASP A 212
LEU A 209
ARG A 280
 None
 0.79A 2qqdA-5h3oA:
undetectable
2qqdE-5h3oA:
undetectable		 2qqdA-5h3oA:
6.00
2qqdE-5h3oA:
8.77
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.
5juf TRANSCRIPTIONAL
REGULATOR

(Streptococcus
thermophilus) 		PF01381
(HTH_3) 		4 LEU A 210
ASP A 209
LEU A 163
ILE A 187
 None
 1.07A 2qqdA-5jufA:
undetectable
2qqdE-5jufA:
undetectable		 2qqdA-5jufA:
9.35
2qqdE-5jufA:
13.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lii MAJOR CAPSID PROTEIN

(Staphylococcus
phage 812) 		no annotation 4 LEU P  62
ASP P  61
ILE P 221
GLU P 154
 None
 1.03A 2qqdA-5liiP:
undetectable
2qqdE-5liiP:
undetectable		 2qqdA-5liiP:
10.24
2qqdE-5liiP:
14.22
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.
5oes GLUTATHIONE
SYNTHETASE

(Solanum
tuberosum) 		no annotation 4 LEU A 435
LEU A 482
ILE A 190
MET A 458
 None
 0.94A 2qqdA-5oesA:
undetectable
2qqdE-5oesA:
undetectable		 2qqdA-5oesA:
26.39
2qqdE-5oesA:
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.
5ool 39S RIBOSOMAL
PROTEIN L24,
MITOCHONDRIAL

(Homo sapiens) 		PF00467
(KOW)
PF17136
(ribosomal_L24) 		4 ASP V  60
LEU V  56
ILE V 133
ARG V 145
 None
 0.98A 2qqdA-5oolV:
undetectable
2qqdE-5oolV:
undetectable		 2qqdA-5oolV:
11.22
2qqdE-5oolV:
18.06
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.
5oom 39S RIBOSOMAL
PROTEIN L28,
MITOCHONDRIAL

(Homo sapiens) 		PF00830
(Ribosomal_L28) 		4 LEU X 146
ASP X 142
ILE X 187
MET X 165
 None
 1.05A 2qqdA-5oomX:
undetectable
2qqdE-5oomX:
undetectable		 2qqdA-5oomX:
10.42
2qqdE-5oomX:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5opt 40S RIBOSOMAL
PROTEIN S12

(Trypanosoma
cruzi) 		no annotation 4 LEU i  61
LEU i  34
ILE i  32
GLU i 134
 None
 0.95A 2qqdA-5opti:
undetectable
2qqdE-5opti:
undetectable		 2qqdA-5opti:
16.90
2qqdE-5opti:
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.
5tus RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		4 LEU A 645
ASP A 644
ILE A 513
ARG A 516
 None
 0.99A 2qqdA-5tusA:
undetectable
2qqdE-5tusA:
undetectable		 2qqdA-5tusA:
6.27
2qqdE-5tusA:
9.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5veu CYTOCHROME P450 3A5

(Homo sapiens) 		no annotation 4 ASP A 270
LEU A 269
ILE A 276
ARG A 260
 None
 0.93A 2qqdA-5veuA:
undetectable
2qqdE-5veuA:
undetectable		 2qqdA-5veuA:
7.40
2qqdE-5veuA:
12.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vxr MAB24 VARIABLE HEAVY
CHAIN,MAB24 VARIABLE
HEAVY CHAIN

(Mus musculus) 		no annotation 4 ASP H  89
LEU H  18
ILE H  67
ARG H  66
 None
 0.92A 2qqdA-5vxrH:
undetectable
2qqdE-5vxrH:
undetectable		 2qqdA-5vxrH:
30.43
2qqdE-5vxrH:
21.82
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.
5w21 FIBROBLAST GROWTH
FACTOR 23
KLOTHO

(Homo sapiens) 		no annotation 4 ASP A 756
LEU A 753
ILE A 812
ARG B 198
 None
 0.82A 2qqdA-5w21A:
undetectable
2qqdE-5w21A:
undetectable		 2qqdA-5w21A:
19.23
2qqdE-5w21A:
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.
5wea PROTEIN ARGONAUTE-2

(Homo sapiens) 		no annotation 4 LEU A 642
LEU A 649
ILE A 664
GLU A 683
 None
 1.04A 2qqdA-5weaA:
undetectable
2qqdE-5weaA:
0.8		 2qqdA-5weaA:
19.48
2qqdE-5weaA:
26.17
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.
5xko CYTIDINE/DEOXYCYTIDY
LATE DEAMINASE,
ZINC-BINDING REGION

(Mycolicibacterium
smegmatis) 		PF00383
(dCMP_cyt_deam_1) 		4 LEU A   8
ASP A   7
GLU A 144
ARG A 100
 None
 0.76A 2qqdA-5xkoA:
undetectable
2qqdE-5xkoA:
undetectable		 2qqdA-5xkoA:
21.36
2qqdE-5xkoA:
16.35
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.
5xto FAD-LINKED
SULFHYDRYL OXIDASE

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF05214
(Baculo_p33) 		4 LEU A 132
LEU A 139
ILE A 178
GLU A 183
 None
 1.04A 2qqdA-5xtoA:
undetectable
2qqdE-5xtoA:
undetectable		 2qqdA-5xtoA:
10.96
2qqdE-5xtoA:
16.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 LEU A2519
ASP A2144
GLU A2522
ARG A2040
 None
 1.03A 2qqdA-6bpzA:
undetectable
2qqdE-6bpzA:
undetectable		 2qqdA-6bpzA:
23.46
2qqdE-6bpzA:
18.75
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.
6c26 DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT SWP1

(Saccharomyces
cerevisiae) 		no annotation 4 ASP C 119
LEU C 123
ILE C 133
MET C  94
 None
 1.03A 2qqdA-6c26C:
undetectable
2qqdE-6c26C:
undetectable		 2qqdA-6c26C:
22.37
2qqdE-6c26C:
24.53
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.
6coy CHLORIDE CHANNEL
PROTEIN 1

(Homo sapiens) 		no annotation 4 LEU A 143
LEU A 171
ILE A 227
MET A 419
 None
 0.86A 2qqdA-6coyA:
undetectable
2qqdE-6coyA:
undetectable		 2qqdA-6coyA:
15.71
2qqdE-6coyA:
16.52