SIMILAR PATTERNS OF AMINO ACIDS FOR 2DYS_P_CHDP310_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d2i PROTEIN (RESTRICTION
ENDONUCLEASE BGLII)

(Bacillus
subtilis) 		PF09195
(Endonuc-BglII) 		4 LEU A 102
GLN A  95
LEU A 152
PHE A 161
 None
MG  A 601 ( 4.1A)
None
None
 1.03A 2dysP-1d2iA:
undetectable
2dysW-1d2iA:
undetectable		 2dysP-1d2iA:
19.62
2dysW-1d2iA:
12.18
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.
1f2r INHIBITOR OF
CASPASE-ACTIVATED
DNASE

(Mus musculus) 		PF02017
(CIDE-N) 		4 LEU I  23
GLN I  31
LEU I  42
PHE I  76
 None
 1.06A 2dysP-1f2rI:
undetectable
2dysW-1f2rI:
undetectable		 2dysP-1f2rI:
17.97
2dysW-1f2rI:
19.00
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.
1g59 GLUTAMYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00749
(tRNA-synt_1c) 		4 LYS A 149
LEU A 148
LEU A 219
PHE A 223
 None
 0.99A 2dysP-1g59A:
undetectable
2dysW-1g59A:
0.0		 2dysP-1g59A:
18.76
2dysW-1g59A:
12.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gtk PORPHOBILINOGEN
DEAMINASE

(Escherichia
coli) 		PF01379
(Porphobil_deam)
PF03900
(Porphobil_deamC) 		4 LEU A 136
GLN A 133
LEU A 116
PHE A 108
 None
 1.04A 2dysP-1gtkA:
undetectable
2dysW-1gtkA:
0.0		 2dysP-1gtkA:
21.18
2dysW-1gtkA:
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.
1hkk CHITOTRIOSIDASE-1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 LEU A  66
GLN A  65
LEU A  94
PHE A 132
 None
 0.94A 2dysP-1hkkA:
undetectable
2dysW-1hkkA:
0.0		 2dysP-1hkkA:
21.66
2dysW-1hkkA:
12.77
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.
1jkw CYCLIN H

(Homo sapiens) 		PF00134
(Cyclin_N)
PF16899
(Cyclin_C_2) 		4 ARG A 102
LEU A 106
PHE A 110
LEU A 129
 None
 0.89A 2dysP-1jkwA:
undetectable
2dysW-1jkwA:
0.0		 2dysP-1jkwA:
20.52
2dysW-1jkwA:
13.17
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		4 LEU A  20
GLN A 159
PHE A  22
LEU A 165
 None
None
NDP  A 194 (-3.6A)
None
 1.05A 2dysP-1juvA:
undetectable
2dysW-1juvA:
0.0		 2dysP-1juvA:
18.99
2dysW-1juvA:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ko0 DIAMINOPIMELATE
DECARBOXYLASE

(Escherichia
coli) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 ARG A 111
LEU A 115
GLN A 116
LEU A  84
 None
 1.00A 2dysP-1ko0A:
undetectable
2dysW-1ko0A:
0.0		 2dysP-1ko0A:
16.36
2dysW-1ko0A:
8.81
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.
1q3i NA,K-ATPASE

(Sus scrofa) 		PF13246
(Cation_ATPase) 		4 LYS A 575
LEU A 576
LEU A 498
PHE A 571
 None
 1.06A 2dysP-1q3iA:
undetectable
2dysW-1q3iA:
0.0		 2dysP-1q3iA:
21.77
2dysW-1q3iA:
14.56
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.
1qsa PROTEIN (SOLUBLE
LYTIC
TRANSGLYCOSYLASE
SLT70)

(Escherichia
coli) 		PF01464
(SLT)
PF14718
(SLT_L) 		4 LEU A 246
GLN A 245
LEU A 254
PHE A 222
 None
SO4  A 706 (-3.3A)
None
None
 0.98A 2dysP-1qsaA:
0.0
2dysW-1qsaA:
undetectable		 2dysP-1qsaA:
17.26
2dysW-1qsaA:
7.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t9k PROBABLE
METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE

(Thermotoga
maritima) 		PF01008
(IF-2B) 		4 LEU A  17
GLN A  20
LEU A  15
PHE A  59
 None
 1.07A 2dysP-1t9kA:
undetectable
2dysW-1t9kA:
undetectable		 2dysP-1t9kA:
19.83
2dysW-1t9kA:
13.62
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.
1tuz DIACYLGLYCEROL
KINASE ALPHA

(Homo sapiens) 		PF14513
(DAG_kinase_N) 		4 LEU A  74
GLN A  76
PHE A  75
LEU A  57
 None
 1.01A 2dysP-1tuzA:
undetectable
2dysW-1tuzA:
undetectable		 2dysP-1tuzA:
16.86
2dysW-1tuzA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u8v GAMMA-AMINOBUTYRATE
METABOLISM
DEHYDRATASE/ISOMERAS
E

(Clostridium
aminobutyricum) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		4 ARG A 433
LEU A 437
LEU A 391
PHE A 422
 None
 0.77A 2dysP-1u8vA:
undetectable
2dysW-1u8vA:
undetectable		 2dysP-1u8vA:
19.70
2dysW-1u8vA:
8.93
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.
1ua2 CELL DIVISION
PROTEIN KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		4 LYS A 152
LEU A 153
PHE A 156
LEU A 125
 None
 1.04A 2dysP-1ua2A:
2.1
2dysW-1ua2A:
undetectable		 2dysP-1ua2A:
20.17
2dysW-1ua2A:
11.62
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.
1uw4 UPF3X

(Homo sapiens) 		PF03467
(Smg4_UPF3) 		4 LYS A  64
LEU A  67
GLN A  68
LEU A  58
 None
 1.09A 2dysP-1uw4A:
undetectable
2dysW-1uw4A:
undetectable		 2dysP-1uw4A:
15.13
2dysW-1uw4A:
18.48
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.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 LEU A  66
GLN A  65
LEU A  94
PHE A 132
 None
 0.85A 2dysP-1wb0A:
undetectable
2dysW-1wb0A:
undetectable		 2dysP-1wb0A:
19.69
2dysW-1wb0A:
9.22
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.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		4 LEU A 184
PHE A 158
LEU A 176
PHE A 172
 None
 0.86A 2dysP-1yw6A:
undetectable
2dysW-1yw6A:
undetectable		 2dysP-1yw6A:
20.54
2dysW-1yw6A:
11.73
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.
2c5q RRAA-LIKE PROTEIN
YER010C

(Saccharomyces
cerevisiae) 		PF03737
(RraA-like) 		4 LYS A 158
LEU A 157
GLN A 156
PHE A  54
 None
None
CME  A 170 ( 4.4A)
None
 0.95A 2dysP-2c5qA:
undetectable
2dysW-2c5qA:
undetectable		 2dysP-2c5qA:
20.79
2dysW-2c5qA:
15.84
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.
2e8m EPIDERMAL GROWTH
FACTOR RECEPTOR
KINASE SUBSTRATE 8

(Homo sapiens) 		no annotation 4 LYS A  69
LEU A  72
LEU A  64
PHE A  65
 None
 0.98A 2dysP-2e8mA:
undetectable
2dysW-2e8mA:
undetectable		 2dysP-2e8mA:
18.67
2dysW-2e8mA:
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.
2fgc ACETOLACTATE
SYNTHASE, SMALL
SUBUNIT

(Thermotoga
maritima) 		PF01842
(ACT)
PF10369
(ALS_ss_C) 		4 LEU A 132
GLN A 131
PHE A 130
LEU A 166
 None
 1.08A 2dysP-2fgcA:
undetectable
2dysW-2fgcA:
undetectable		 2dysP-2fgcA:
19.39
2dysW-2fgcA:
13.30
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.
2gnp TRANSCRIPTIONAL
REGULATOR

(Streptococcus
pneumoniae) 		PF04198
(Sugar-bind) 		4 LEU A 258
GLN A 259
LEU A 225
PHE A 230
 None
 0.95A 2dysP-2gnpA:
undetectable
2dysW-2gnpA:
undetectable		 2dysP-2gnpA:
19.19
2dysW-2gnpA:
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.
2ho0 REPRESSOR PROTEIN
CI101-229DM-K192A

(Escherichia
coli) 		PF00717
(Peptidase_S24) 		4 LYS A 193
LEU A 203
GLN A 204
PHE A 202
 None
 1.09A 2dysP-2ho0A:
undetectable
2dysW-2ho0A:
undetectable		 2dysP-2ho0A:
19.11
2dysW-2ho0A:
20.83
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.
2o3e NEUROLYSIN

(Rattus
norvegicus) 		PF01432
(Peptidase_M3) 		4 LEU A 257
GLN A 258
LEU A 602
PHE A 599
 None
 0.86A 2dysP-2o3eA:
5.0
2dysW-2o3eA:
undetectable		 2dysP-2o3eA:
17.94
2dysW-2o3eA:
6.19
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.
2oaa R.MVAI

(Kocuria varians) 		PF15515
(MvaI_BcnI) 		4 LEU A 156
GLN A 155
LEU A 190
PHE A 187
 None
 1.01A 2dysP-2oaaA:
undetectable
2dysW-2oaaA:
undetectable		 2dysP-2oaaA:
20.00
2dysW-2oaaA:
13.96
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.
2opt ACTII PROTEIN

(Streptomyces
coelicolor) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		4 ARG A  75
LEU A  79
PHE A  83
LEU A  49
 None
 0.68A 2dysP-2optA:
3.2
2dysW-2optA:
undetectable		 2dysP-2optA:
23.19
2dysW-2optA:
12.39
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.
2otn DIAMINOPIMELATE
EPIMERASE

(Bacillus
anthracis) 		PF01678
(DAP_epimerase) 		4 ARG A  81
LYS A 271
LEU A 258
LEU A  12
 None
 0.70A 2dysP-2otnA:
undetectable
2dysW-2otnA:
undetectable		 2dysP-2otnA:
21.78
2dysW-2otnA:
14.93
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.
2xn6 THYROXINE-BINDING
GLOBULIN

(Homo sapiens) 		PF00079
(Serpin) 		4 LEU A 180
PHE A 349
LEU A  60
PHE A 315
 None
 0.98A 2dysP-2xn6A:
undetectable
2dysW-2xn6A:
undetectable		 2dysP-2xn6A:
20.83
2dysW-2xn6A:
11.11
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.
3dqv CULLIN-5

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		4 LEU C1600
GLN C1599
PHE C1598
LEU C1551
 None
 0.84A 2dysP-3dqvC:
undetectable
2dysW-3dqvC:
undetectable		 2dysP-3dqvC:
20.37
2dysW-3dqvC:
11.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e2s PROLINE
DEHYDROGENASE

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 ARG A 569
LEU A 575
LEU A 580
PHE A 566
 None
 1.06A 2dysP-3e2sA:
undetectable
2dysW-3e2sA:
undetectable		 2dysP-3e2sA:
18.23
2dysW-3e2sA:
8.29
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.
3e4e CYTOCHROME P450 2E1

(Homo sapiens) 		PF00067
(p450) 		4 LYS A 461
LEU A 460
PHE A 458
LEU A 312
 None
 0.98A 2dysP-3e4eA:
1.3
2dysW-3e4eA:
undetectable		 2dysP-3e4eA:
19.83
2dysW-3e4eA:
7.98
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.
3exn PROBABLE
ACETYLTRANSFERASE

(Thermus
thermophilus) 		PF00583
(Acetyltransf_1) 		4 LEU A  63
PHE A  62
LEU A  22
PHE A  26
 None
 0.87A 2dysP-3exnA:
undetectable
2dysW-3exnA:
undetectable		 2dysP-3exnA:
23.02
2dysW-3exnA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eyk HEMAGGLUTININ HA1
CHAIN

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 LEU A 118
GLN A  80
PHE A 120
LEU A 112
 None
 0.99A 2dysP-3eykA:
undetectable
2dysW-3eykA:
undetectable		 2dysP-3eykA:
21.21
2dysW-3eykA:
11.15
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.
3fmp ATP-DEPENDENT RNA
HELICASE DDX19B

(Homo sapiens) 		PF00270
(DEAD) 		4 LEU B 103
GLN B 102
PHE B 188
PHE B  94
 None
 1.06A 2dysP-3fmpB:
undetectable
2dysW-3fmpB:
undetectable		 2dysP-3fmpB:
20.04
2dysW-3fmpB:
7.36
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.
3g1z PUTATIVE LYSYL-TRNA
SYNTHETASE

(Salmonella
enterica) 		PF00152
(tRNA-synt_2) 		4 ARG A 188
LEU A 192
GLN A 193
PHE A 196
 None
 0.77A 2dysP-3g1zA:
undetectable
2dysW-3g1zA:
undetectable		 2dysP-3g1zA:
20.94
2dysW-3g1zA:
9.85
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.
3hrt METALLOREGULATOR
SCAR

(Streptococcus
gordonii) 		PF01325
(Fe_dep_repress)
PF02742
(Fe_dep_repr_C)
PF04023
(FeoA) 		4 ARG A  74
LYS A  75
LEU A  78
PHE A  82
 None
 0.72A 2dysP-3hrtA:
undetectable
2dysW-3hrtA:
undetectable		 2dysP-3hrtA:
18.61
2dysW-3hrtA:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kwp PREDICTED
METHYLTRANSFERASE

(Lactobacillus
brevis) 		PF00590
(TP_methylase) 		4 LYS A 177
LEU A 180
GLN A 181
LEU A 195
 None
 0.86A 2dysP-3kwpA:
undetectable
2dysW-3kwpA:
undetectable		 2dysP-3kwpA:
20.92
2dysW-3kwpA:
14.23
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.
3lcr TAUTOMYCETIN
BIOSYNTHETIC PKS

(Streptomyces
sp. CK4412) 		PF00975
(Thioesterase) 		4 LEU A 229
GLN A 227
LEU A 178
PHE A 182
 None
 1.04A 2dysP-3lcrA:
undetectable
2dysW-3lcrA:
undetectable		 2dysP-3lcrA:
20.45
2dysW-3lcrA:
9.09
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.
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF00342
(PGI) 		4 LEU A  15
GLN A  16
PHE A  19
LEU A  66
 None
 0.54A 2dysP-3nbuA:
undetectable
2dysW-3nbuA:
undetectable		 2dysP-3nbuA:
18.63
2dysW-3nbuA:
8.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ocj PUTATIVE EXPORTED
PROTEIN

(Bordetella
parapertussis) 		PF13847
(Methyltransf_31) 		4 LEU A 252
GLN A 251
PHE A 254
LEU A  44
 None
None
GOL  A 303 ( 4.4A)
None
 0.92A 2dysP-3ocjA:
undetectable
2dysW-3ocjA:
undetectable		 2dysP-3ocjA:
23.24
2dysW-3ocjA:
11.22
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.
3on4 TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Legionella
pneumophila) 		PF00440
(TetR_N) 		4 LYS A  82
GLN A  86
PHE A  89
LEU A 135
 None
 1.02A 2dysP-3on4A:
2.4
2dysW-3on4A:
undetectable		 2dysP-3on4A:
19.85
2dysW-3on4A:
16.23
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.
3opb SWI5-DEPENDENT HO
EXPRESSION PROTEIN 4

(Saccharomyces
cerevisiae) 		PF11701
(UNC45-central) 		4 LEU A 295
GLN A 294
LEU A 271
PHE A 267
 None
 0.95A 2dysP-3opbA:
undetectable
2dysW-3opbA:
undetectable		 2dysP-3opbA:
14.10
2dysW-3opbA:
5.23
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.
3pl0 UNCHARACTERIZED
PROTEIN

(Methylibium
petroleiphilum) 		PF10014
(2OG-Fe_Oxy_2) 		4 LEU A  15
GLN A  16
LEU A 129
PHE A 130
 None
 0.87A 2dysP-3pl0A:
undetectable
2dysW-3pl0A:
undetectable		 2dysP-3pl0A:
21.36
2dysW-3pl0A:
11.42
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.
3qc5 PLATELET BINDING
PROTEIN GSPB

(Streptococcus
gordonii) 		no annotation 4 LYS X 466
LEU X 465
GLN X 464
LEU X 434
 None
None
None
NA  X 609 (-4.7A)
 1.00A 2dysP-3qc5X:
undetectable
2dysW-3qc5X:
undetectable		 2dysP-3qc5X:
19.45
2dysW-3qc5X:
10.29
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.
3rd5 MYPAA.01249.C

(Mycobacterium
avium) 		PF00106
(adh_short) 		4 ARG A 131
LEU A 191
PHE A 246
LEU A 241
 None
 0.95A 2dysP-3rd5A:
undetectable
2dysW-3rd5A:
undetectable		 2dysP-3rd5A:
21.79
2dysW-3rd5A:
12.09
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.
3s98 INTERFERON
ALPHA/BETA RECEPTOR
1

(Homo sapiens) 		PF01108
(Tissue_fac)
PF09294
(Interfer-bind) 		4 LYS A 220
LEU A 219
GLN A 263
LEU A 278
 None
 1.05A 2dysP-3s98A:
undetectable
2dysW-3s98A:
undetectable		 2dysP-3s98A:
20.62
2dysW-3s98A:
12.12
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.
3u58 TETRAHYMENA TEB1 AB

(Tetrahymena
thermophila) 		PF01336
(tRNA_anti-codon) 		4 LYS A 457
LEU A 456
GLN A 455
LEU A 389
 None
 0.82A 2dysP-3u58A:
undetectable
2dysW-3u58A:
undetectable		 2dysP-3u58A:
21.88
2dysW-3u58A:
18.13
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.
3wi3 DNA REPLICATION
REGULATOR SLD3

(Saccharomyces
cerevisiae) 		PF08639
(SLD3) 		4 GLN A 415
PHE A 412
LEU A 398
PHE A 393
 None
 0.90A 2dysP-3wi3A:
1.8
2dysW-3wi3A:
undetectable		 2dysP-3wi3A:
18.93
2dysW-3wi3A:
12.32
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.
4abn TETRATRICOPEPTIDE
REPEAT PROTEIN 5

(Mus musculus) 		PF16669
(TTC5_OB) 		4 LYS A 281
PHE A 355
LEU A 274
PHE A 405
 None
 1.00A 2dysP-4abnA:
3.6
2dysW-4abnA:
undetectable		 2dysP-4abnA:
19.53
2dysW-4abnA:
9.02
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.
4aef NEOPULLULANASE
(ALPHA-AMYLASE II)

(Pyrococcus
furiosus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16561
(AMPK1_CBM) 		4 GLN A 132
PHE A 158
LEU A 129
PHE A 176
 None
 1.04A 2dysP-4aefA:
undetectable
2dysW-4aefA:
undetectable		 2dysP-4aefA:
19.49
2dysW-4aefA:
6.73
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.
4c0d CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF04054
(Not1) 		4 LEU A1975
GLN A1976
LEU A2026
PHE A2034
 None
 0.99A 2dysP-4c0dA:
2.6
2dysW-4c0dA:
undetectable		 2dysP-4c0dA:
14.62
2dysW-4c0dA:
5.38
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.
4eco UNCHARACTERIZED
PROTEIN

(Bacteroides
eggerthii) 		no annotation 4 LYS A 613
LEU A 614
LEU A 628
PHE A 652
 None
 0.97A 2dysP-4ecoA:
undetectable
2dysW-4ecoA:
undetectable		 2dysP-4ecoA:
16.35
2dysW-4ecoA:
6.14
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.
4fbd PUTATIVE
UNCHARACTERIZED
PROTEIN

(Toxoplasma
gondii) 		PF11539
(DUF3228) 		4 LYS A 171
LEU A 134
GLN A 173
PHE A 133
 None
 1.05A 2dysP-4fbdA:
undetectable
2dysW-4fbdA:
undetectable		 2dysP-4fbdA:
21.55
2dysW-4fbdA:
13.81
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.
4fdd TRANSPORTIN-1

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		4 LEU A  16
GLN A  17
LEU A  57
PHE A  52
 None
 1.00A 2dysP-4fddA:
undetectable
2dysW-4fddA:
undetectable		 2dysP-4fddA:
15.94
2dysW-4fddA:
6.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4flx DNA POLYMERASE 1

(Pyrococcus
abyssi) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.98A 2dysP-4flxA:
2.6
2dysW-4flxA:
undetectable		 2dysP-4flxA:
13.49
2dysW-4flxA:
6.62
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.
4hqf THROMBOSPONDIN-RELAT
ED ANONYMOUS
PROTEIN, TRAP

(Plasmodium
falciparum) 		PF00092
(VWA) 		4 ARG A 176
LYS A 173
LEU A 172
LEU A 202
 None
 1.03A 2dysP-4hqfA:
undetectable
2dysW-4hqfA:
undetectable		 2dysP-4hqfA:
20.74
2dysW-4hqfA:
10.11
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.
4i2w PROTEIN UNC-45

(Caenorhabditis
elegans) 		PF11701
(UNC45-central) 		4 LEU A 373
GLN A 374
LEU A 347
PHE A 420
 None
 1.06A 2dysP-4i2wA:
2.3
2dysW-4i2wA:
undetectable		 2dysP-4i2wA:
14.04
2dysW-4i2wA:
5.11
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.
4j0m SERINE/THREONINE-PRO
TEIN KINASE
BRI1-LIKE 1

(Arabidopsis
thaliana) 		PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 LEU A 228
PHE A 230
LEU A 203
PHE A 199
 None
 1.01A 2dysP-4j0mA:
undetectable
2dysW-4j0mA:
undetectable		 2dysP-4j0mA:
16.01
2dysW-4j0mA:
5.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ma5 PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Francisella
tularensis) 		PF02222
(ATP-grasp) 		4 LEU A 137
GLN A 149
PHE A 150
LEU A 124
 None
ANP  A 401 ( 4.5A)
None
None
 0.94A 2dysP-4ma5A:
undetectable
2dysW-4ma5A:
undetectable		 2dysP-4ma5A:
22.16
2dysW-4ma5A:
13.01
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.
4ma5 PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Francisella
tularensis) 		PF02222
(ATP-grasp) 		4 LYS A 138
LEU A 137
GLN A 149
LEU A 124
 ANP  A 401 ( 2.8A)
None
ANP  A 401 ( 4.5A)
None
 0.93A 2dysP-4ma5A:
undetectable
2dysW-4ma5A:
undetectable		 2dysP-4ma5A:
22.16
2dysW-4ma5A:
13.01
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.
4n2p PROTEIN ARCHEASE

(Pyrococcus
horikoshii) 		PF01951
(Archease) 		4 LEU A 139
GLN A 138
LEU A  67
PHE A  66
 None
 1.07A 2dysP-4n2pA:
undetectable
2dysW-4n2pA:
undetectable		 2dysP-4n2pA:
17.11
2dysW-4n2pA:
13.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n6q VOSA

(Aspergillus
nidulans) 		PF11754
(Velvet) 		4 LYS A 132
LEU A 131
PHE A 129
LEU A 121
 None
 0.76A 2dysP-4n6qA:
undetectable
2dysW-4n6qA:
undetectable		 2dysP-4n6qA:
22.18
2dysW-4n6qA:
16.48
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.
4oya ADENYLATE CYCLASE
TYPE 10

(Homo sapiens) 		PF00211
(Guanylate_cyc) 		4 GLN A 375
PHE A 372
LEU A 299
PHE A 301
 None
 1.02A 2dysP-4oyaA:
undetectable
2dysW-4oyaA:
undetectable		 2dysP-4oyaA:
19.62
2dysW-4oyaA:
8.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ud4 POLY(A) RNA
POLYMERASE PROTEIN
CID1

(Schizosaccharomyces
pombe) 		PF01909
(NTP_transf_2)
PF03828
(PAP_assoc) 		4 LYS A 144
LEU A 145
GLN A 158
LEU A 125
 None
 0.95A 2dysP-4ud4A:
undetectable
2dysW-4ud4A:
undetectable		 2dysP-4ud4A:
19.95
2dysW-4ud4A:
10.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4us5 LUCIFERASE-LIKE
MONOOXYGENASE

(Streptomyces
bottropensis) 		PF00296
(Bac_luciferase) 		4 LEU A 140
GLN A 139
LEU A 103
PHE A  90
 None
 0.97A 2dysP-4us5A:
undetectable
2dysW-4us5A:
undetectable		 2dysP-4us5A:
20.29
2dysW-4us5A:
10.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x00 PUTATIVE HYDROLASE

(Burkholderia
cenocepacia) 		PF12697
(Abhydrolase_6) 		4 LEU A  59
GLN A  60
LEU A 273
PHE A 269
 None
 0.87A 2dysP-4x00A:
undetectable
2dysW-4x00A:
undetectable		 2dysP-4x00A:
21.50
2dysW-4x00A:
12.01
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.
4x3h ACTIVITY-REGULATED
CYTOSKELETON-ASSOCIA
TED PROTEIN

(Rattus
norvegicus) 		no annotation 4 LEU A 272
GLN A 273
LEU A 221
PHE A 220
 None
 1.04A 2dysP-4x3hA:
undetectable
2dysW-4x3hA:
undetectable		 2dysP-4x3hA:
15.00
2dysW-4x3hA:
20.55
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.
4xgt FRQ-INTERACTING RNA
HELICASE

(Neurospora
crassa) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF08148
(DSHCT)
PF13234
(rRNA_proc-arch) 		4 LEU A 524
GLN A 526
PHE A 525
LEU A 502
 None
 0.87A 2dysP-4xgtA:
undetectable
2dysW-4xgtA:
undetectable		 2dysP-4xgtA:
12.69
2dysW-4xgtA:
6.27
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.
4y99 TROPONIN T, CARDIAC
MUSCLE

(Homo sapiens) 		PF00992
(Troponin) 		4 LYS B 247
LEU B 250
GLN B 251
PHE B 254
 None
 0.59A 2dysP-4y99B:
undetectable
2dysW-4y99B:
2.4		 2dysP-4y99B:
15.56
2dysW-4y99B:
16.98
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.
4z61 PHYTOSULFOKINE
RECEPTOR 1

(Daucus carota) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		4 LEU A 229
GLN A 228
PHE A 227
LEU A 211
 None
 0.97A 2dysP-4z61A:
undetectable
2dysW-4z61A:
undetectable		 2dysP-4z61A:
16.59
2dysW-4z61A:
5.76
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.
5boi GERMINATION PROTEIN
YPEB

(Bacillus
megaterium) 		PF03413
(PepSY)
PF14620
(YPEB) 		4 LYS A 438
LEU A 439
GLN A 440
LEU A 414
 None
 0.88A 2dysP-5boiA:
undetectable
2dysW-5boiA:
undetectable		 2dysP-5boiA:
20.21
2dysW-5boiA:
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.
5c7m E3 UBIQUITIN-PROTEIN
LIGASE ITCHY HOMOLOG

(Homo sapiens) 		PF00632
(HECT) 		4 LEU A 649
PHE A 650
LEU A 781
PHE A 773
 None
 1.05A 2dysP-5c7mA:
undetectable
2dysW-5c7mA:
undetectable		 2dysP-5c7mA:
19.45
2dysW-5c7mA:
8.88
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.
5cww NUCLEOPORIN NUP82
NUCLEOPORIN NUP159

(Chaetomium
thermophilum;
Chaetomium
thermophilum) 		no annotation
no annotation 		4 ARG C1447
LYS C1448
LEU C1451
LEU B 425
 None
 0.95A 2dysP-5cwwC:
undetectable
2dysW-5cwwC:
undetectable		 2dysP-5cwwC:
8.89
2dysW-5cwwC:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d7w SERRALYSIN

(Serratia
marcescens) 		PF00353
(HemolysinCabind)
PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		4 LYS A  57
LEU A  58
PHE A  60
LEU A 182
 LYS  A  57 ( 0.0A)
LEU  A  58 ( 0.6A)
PHE  A  60 ( 1.3A)
LEU  A 182 ( 0.6A)
 0.87A 2dysP-5d7wA:
undetectable
2dysW-5d7wA:
undetectable		 2dysP-5d7wA:
19.92
2dysW-5d7wA:
8.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d9a RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza C
virus) 		PF00602
(Flu_PB1) 		4 LEU B 442
GLN B 443
LEU B 284
PHE B 498
 None
 1.05A 2dysP-5d9aB:
undetectable
2dysW-5d9aB:
undetectable		 2dysP-5d9aB:
16.47
2dysW-5d9aB:
5.61
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.
5du9 CDA PEPTIDE
SYNTHETASE I

(Streptomyces
coelicolor) 		PF00668
(Condensation) 		4 LEU A 423
GLN A 424
PHE A 427
LEU A 229
 None
 0.76A 2dysP-5du9A:
undetectable
2dysW-5du9A:
undetectable		 2dysP-5du9A:
20.97
2dysW-5du9A:
7.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e0c CELLULASE

(Bacillus sp.
BG-CS10) 		PF00150
(Cellulase)
PF03442
(CBM_X2) 		4 LEU A 429
GLN A 428
PHE A 427
LEU A 400
 None
 1.09A 2dysP-5e0cA:
undetectable
2dysW-5e0cA:
undetectable		 2dysP-5e0cA:
20.19
2dysW-5e0cA:
8.37
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.
5e9c HEPARANASE

(Homo sapiens) 		PF03662
(Glyco_hydro_79n) 		4 LEU A 495
GLN A 494
LEU A 409
PHE A 531
 None
 1.08A 2dysP-5e9cA:
undetectable
2dysW-5e9cA:
undetectable		 2dysP-5e9cA:
21.23
2dysW-5e9cA:
7.81
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.
5fn3 PRESENILIN-1

(Homo sapiens) 		PF01080
(Presenilin) 		4 LEU B 392
PHE B 388
LEU B 443
PHE B 447
 None
 1.02A 2dysP-5fn3B:
2.2
2dysW-5fn3B:
undetectable		 2dysP-5fn3B:
20.04
2dysW-5fn3B:
7.86
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.
5g4q DNA POLYMERASE III
SUBUNIT BETA

(Helicobacter
pylori) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		4 LEU A 183
GLN A 182
LEU A 134
PHE A 138
 None
 0.88A 2dysP-5g4qA:
undetectable
2dysW-5g4qA:
undetectable		 2dysP-5g4qA:
20.21
2dysW-5g4qA:
9.36
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.
5ggy IRON(III) ABC
TRANSPORTER,
PERIPLASMIC
IRON-COMPOUND-BINDIN
G PROTEIN

(Vibrio cholerae) 		PF01497
(Peripla_BP_2) 		4 LYS A 185
LEU A 188
GLN A 189
LEU A 312
 None
 0.85A 2dysP-5ggyA:
undetectable
2dysW-5ggyA:
undetectable		 2dysP-5ggyA:
20.56
2dysW-5ggyA:
13.42
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.
5gsm EXO-BETA-D-GLUCOSAMI
NIDASE

(Thermococcus
kodakarensis) 		PF02449
(Glyco_hydro_42) 		4 LEU A  25
GLN A  26
PHE A  27
LEU A  39
 None
 0.90A 2dysP-5gsmA:
undetectable
2dysW-5gsmA:
undetectable		 2dysP-5gsmA:
16.50
2dysW-5gsmA:
6.61
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.
5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom)
PF11865
(DUF3385) 		4 LYS A2187
LEU A2186
PHE A2184
LEU A2230
 None
 1.04A 2dysP-5h64A:
2.2
2dysW-5h64A:
undetectable		 2dysP-5h64A:
6.94
2dysW-5h64A:
2.08
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.
5ifn PARASPECKLE
COMPONENT 1

(Homo sapiens) 		PF00076
(RRM_1)
PF08075
(NOPS) 		4 LYS A 161
LEU A 163
LEU A 223
PHE A 221
 None
 1.01A 2dysP-5ifnA:
undetectable
2dysW-5ifnA:
3.1		 2dysP-5ifnA:
17.50
2dysW-5ifnA:
12.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5iy5 CYTOCHROME C OXIDASE
SUBUNIT 3

(Bos taurus) 		PF00510
(COX3) 		5 ARG C 156
LEU C 160
GLN C 161
PHE C 164
LEU C 223
 CHD  C 307 (-4.0A)
CHD  C 307 ( 3.9A)
CHD  C 307 (-4.3A)
CHD  C 307 (-3.9A)
None
 0.42A 2dysP-5iy5C:
37.1
2dysW-5iy5C:
undetectable		 2dysP-5iy5C:
100.00
2dysW-5iy5C:
10.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5iy5 CYTOCHROME C OXIDASE
SUBUNIT 3

(Bos taurus) 		PF00510
(COX3) 		5 ARG C 156
LYS C 157
LEU C 160
PHE C 164
LEU C 223
 CHD  C 307 (-4.0A)
None
CHD  C 307 ( 3.9A)
CHD  C 307 (-3.9A)
None
 0.23A 2dysP-5iy5C:
37.1
2dysW-5iy5C:
undetectable		 2dysP-5iy5C:
100.00
2dysW-5iy5C:
10.36
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.
5j32 3-ISOPROPYLMALATE
DEHYDROGENASE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00180
(Iso_dh) 		4 LYS A  62
LEU A  65
GLN A  66
LEU A 345
 None
 0.94A 2dysP-5j32A:
undetectable
2dysW-5j32A:
undetectable		 2dysP-5j32A:
21.50
2dysW-5j32A:
10.13
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.
5j32 3-ISOPROPYLMALATE
DEHYDROGENASE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00180
(Iso_dh) 		4 LYS A  62
LEU A  65
GLN A  66
PHE A 317
 None
 1.08A 2dysP-5j32A:
undetectable
2dysW-5j32A:
undetectable		 2dysP-5j32A:
21.50
2dysW-5j32A:
10.13
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.
5jlt MIDDLE TRANSCRIPTION
REGULATORY PROTEIN
MOTA

(Escherichia
virus T4) 		PF09158
(MotCF) 		4 LYS A 130
LEU A 128
LEU A 121
PHE A 152
 None
 1.01A 2dysP-5jltA:
undetectable
2dysW-5jltA:
undetectable		 2dysP-5jltA:
16.67
2dysW-5jltA:
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.
5la7 HEPARANASE

(Homo sapiens) 		PF03662
(Glyco_hydro_79n) 		4 LEU A 495
GLN A 494
LEU A 409
PHE A 531
 EDO  A 609 ( 4.5A)
None
None
None
 1.02A 2dysP-5la7A:
undetectable
2dysW-5la7A:
undetectable		 2dysP-5la7A:
19.44
2dysW-5la7A:
8.33
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.
5li4 TAIL SHEATH PROTEIN

(Staphylococcus
phage 812) 		no annotation 4 GLN A 543
PHE A 545
LEU A 500
PHE A 499
 None
 0.75A 2dysP-5li4A:
undetectable
2dysW-5li4A:
undetectable		 2dysP-5li4A:
17.47
2dysW-5li4A:
8.27
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.
5lut BLM HELICASE

(Gallus gallus) 		PF08072
(BDHCT) 		4 LYS A 343
LEU A 346
GLN A 347
LEU A 333
 None
 0.69A 2dysP-5lutA:
undetectable
2dysW-5lutA:
undetectable		 2dysP-5lutA:
12.60
2dysW-5lutA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m30 TYPE VI SECRETION
PROTEIN

(Escherichia
coli) 		PF05936
(T6SS_VasE) 		4 LEU A  54
GLN A 177
LEU A  59
PHE A  49
 None
 0.95A 2dysP-5m30A:
5.4
2dysW-5m30A:
undetectable		 2dysP-5m30A:
17.82
2dysW-5m30A:
8.25
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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN5

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		4 LEU P 181
GLN P 183
PHE P 179
LEU P 216
 None
 1.04A 2dysP-5mpdP:
undetectable
2dysW-5mpdP:
undetectable		 2dysP-5mpdP:
19.87
2dysW-5mpdP:
8.24
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.
5ms7 LEGIONELLA
PNEUMOPHILA EFFECTOR
PROTEIN RAVZ

(Legionella
pneumophila) 		no annotation 4 LYS A 389
LEU A 390
GLN A 386
LEU A 418
 None
 1.07A 2dysP-5ms7A:
2.4
2dysW-5ms7A:
undetectable		 2dysP-5ms7A:
17.36
2dysW-5ms7A:
8.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mwa BIFUNCTIONAL EPOXIDE
HYDROLASE 2

(Homo sapiens) 		no annotation 4 LYS A 144
LEU A 143
LEU A  14
PHE A   8
 None
 1.01A 2dysP-5mwaA:
undetectable
2dysW-5mwaA:
undetectable		 2dysP-5mwaA:
undetectable
2dysW-5mwaA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n4a INTRAFLAGELLAR
TRANSPORT PROTEIN 80

(Chlamydomonas
reinhardtii) 		no annotation 4 LYS A   4
LEU A   3
GLN A 296
LEU A 250
 None
 1.05A 2dysP-5n4aA:
undetectable
2dysW-5n4aA:
undetectable		 2dysP-5n4aA:
undetectable
2dysW-5n4aA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5viq MONOMERIC
NEAR-INFRARED
FLUORESCENT PROTEIN
MIRFP709

(Rhodopseudomonas
palustris) 		PF01590
(GAF)
PF08446
(PAS_2) 		4 LEU A 255
GLN A 256
PHE A 257
LEU A 218
 None
None
BLA  A 401 (-4.3A)
None
 0.99A 2dysP-5viqA:
undetectable
2dysW-5viqA:
undetectable		 2dysP-5viqA:
19.88
2dysW-5viqA:
12.78
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.
5vl3 B-CELL RECEPTOR CD22

(Homo sapiens) 		no annotation 4 LEU Q 163
GLN Q 164
PHE Q 199
LEU Q 174
 None
 1.08A 2dysP-5vl3Q:
undetectable
2dysW-5vl3Q:
undetectable		 2dysP-5vl3Q:
21.85
2dysW-5vl3Q:
10.79
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT

(Komagataella
phaffii) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 LEU A 868
GLN A 866
PHE A 867
LEU A1002
 None
 0.82A 2dysP-5xogA:
4.0
2dysW-5xogA:
undetectable		 2dysP-5xogA:
9.55
2dysW-5xogA:
3.28
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.
6c29 PUTATIVE METAL
RESISTANCE PROTEIN

(Proteus
mirabilis) 		no annotation 4 LEU A 167
GLN A 166
LEU A 227
PHE A 229
 None
 1.02A 2dysP-6c29A:
undetectable
2dysW-6c29A:
undetectable		 2dysP-6c29A:
undetectable
2dysW-6c29A:
undetectable