SIMILAR PATTERNS OF AMINO ACIDS FOR 2EIN_C_CHDC271_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.
1a3q PROTEIN (NUCLEAR
FACTOR KAPPA-B P52)

(Homo sapiens) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		4 LYS A 310
LEU A 309
LEU A 248
PHE A 289
 None
 1.00A 2einC-1a3qA:
undetectable
2einJ-1a3qA:
0.0		 2einC-1a3qA:
21.92
2einJ-1a3qA:
13.78
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.
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
 0.92A 2einC-1d2iA:
undetectable
2einJ-1d2iA:
0.0		 2einC-1d2iA:
19.62
2einJ-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.
1eco ERYTHROCRUORIN
(CARBONMONOXY)

(Chironomus
thummi) 		PF00042
(Globin) 		4 GLN A  10
PHE A  13
LEU A 125
PHE A 129
 None
 1.05A 2einC-1ecoA:
undetectable
2einJ-1ecoA:
0.0		 2einC-1ecoA:
20.00
2einJ-1ecoA:
15.44
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.
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
 1.02A 2einC-1f2rI:
undetectable
2einJ-1f2rI:
0.0		 2einC-1f2rI:
17.97
2einJ-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
 0.98A 2einC-1g59A:
0.0
2einJ-1g59A:
0.0		 2einC-1g59A:
18.76
2einJ-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
 0.98A 2einC-1gtkA:
undetectable
2einJ-1gtkA:
0.0		 2einC-1gtkA:
21.18
2einJ-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
 0.96A 2einC-1hkkA:
0.3
2einJ-1hkkA:
0.0		 2einC-1hkkA:
21.66
2einJ-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
 0.86A 2einC-1jkwA:
0.7
2einJ-1jkwA:
0.0		 2einC-1jkwA:
20.52
2einJ-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
 1.04A 2einC-1juvA:
undetectable
2einJ-1juvA:
0.0		 2einC-1juvA:
18.99
2einJ-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.
1kkc MANGANESE SUPEROXIDE
DISMUTASE

(Aspergillus
fumigatus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 LEU A  28
GLN A  29
LEU A  95
PHE A  91
 None
 0.90A 2einC-1kkcA:
2.2
2einJ-1kkcA:
undetectable		 2einC-1kkcA:
19.93
2einJ-1kkcA:
13.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.04A 2einC-1ko0A:
undetectable
2einJ-1ko0A:
undetectable		 2einC-1ko0A:
16.36
2einJ-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.
1pgr PROTEIN (G-CSF
RECEPTOR)

(Mus musculus) 		no annotation 4 LEU B 187
GLN B 188
LEU B 176
PHE B 174
 None
 1.07A 2einC-1pgrB:
undetectable
2einJ-1pgrB:
undetectable		 2einC-1pgrB:
19.10
2einJ-1pgrB:
13.02
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.
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
 1.00A 2einC-1qsaA:
0.2
2einJ-1qsaA:
undetectable		 2einC-1qsaA:
17.26
2einJ-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.
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
 0.89A 2einC-1u8vA:
3.8
2einJ-1u8vA:
undetectable		 2einC-1u8vA:
19.70
2einJ-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.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 LEU A  66
GLN A  65
LEU A  94
PHE A 132
 None
 0.89A 2einC-1wb0A:
undetectable
2einJ-1wb0A:
undetectable		 2einC-1wb0A:
19.69
2einJ-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.
2bec CALCINEURIN B
HOMOLOGOUS PROTEIN 2

(Homo sapiens) 		PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		4 ARG A 112
LEU A 116
PHE A 120
LEU A 181
 None
 1.04A 2einC-2becA:
undetectable
2einJ-2becA:
undetectable		 2einC-2becA:
25.67
2einJ-2becA:
12.38
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.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF) 		4 LYS A 340
LEU A 339
GLN A 338
LEU A  30
 None
 1.06A 2einC-2eyqA:
undetectable
2einJ-2eyqA:
undetectable		 2einC-2eyqA:
10.83
2einJ-2eyqA:
5.47
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.
2hi3 HOMEODOMAIN-ONLY
PROTEIN

(Mus musculus) 		PF00046
(Homeobox) 		4 ARG A  59
LEU A  55
GLN A  53
PHE A  51
 None
 0.98A 2einC-2hi3A:
undetectable
2einJ-2hi3A:
undetectable		 2einC-2hi3A:
13.41
2einJ-2hi3A:
18.31
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.
2ipa THIOREDOXIN

(Bacillus
subtilis) 		PF00085
(Thioredoxin) 		4 LYS A  93
LEU A  96
GLN A  97
LEU A  75
 None
 1.06A 2einC-2ipaA:
undetectable
2einJ-2ipaA:
undetectable		 2einC-2ipaA:
17.12
2einJ-2ipaA:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2irw CORTICOSTEROID
11-BETA-DEHYDROGENAS
E ISOZYME 1

(Homo sapiens) 		PF00106
(adh_short) 		4 LYS A  68
LEU A  71
GLN A  72
PHE A 102
 None
 0.85A 2einC-2irwA:
undetectable
2einJ-2irwA:
undetectable		 2einC-2irwA:
18.75
2einJ-2irwA:
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.
2lae LIPOPROTEIN 34

(Escherichia
coli) 		PF06804
(Lipoprotein_18) 		4 LYS A 304
LEU A 305
GLN A 306
LEU A 259
 None
 1.04A 2einC-2laeA:
undetectable
2einJ-2laeA:
undetectable		 2einC-2laeA:
18.55
2einJ-2laeA:
12.45
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.
2o36 THIMET
OLIGOPEPTIDASE

(Homo sapiens) 		PF01432
(Peptidase_M3) 		4 LEU A 564
GLN A 567
LEU A 601
PHE A 598
 None
 1.02A 2einC-2o36A:
3.4
2einJ-2o36A:
undetectable		 2einC-2o36A:
17.45
2einJ-2o36A:
7.26
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.
2oaa R.MVAI

(Kocuria varians) 		PF15515
(MvaI_BcnI) 		4 LEU A 156
GLN A 155
LEU A 190
PHE A 187
 None
 1.04A 2einC-2oaaA:
undetectable
2einJ-2oaaA:
undetectable		 2einC-2oaaA:
20.00
2einJ-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
 0.70A 2einC-2optA:
2.9
2einJ-2optA:
undetectable		 2einC-2optA:
23.19
2einJ-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
 0.80A 2einC-2otnA:
undetectable
2einJ-2otnA:
undetectable		 2einC-2otnA:
21.78
2einJ-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.
2pkg SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
65 KDA REGULATORY
SUBUNIT A ALPHA
ISOFORM

(Homo sapiens) 		PF02985
(HEAT)
PF13646
(HEAT_2) 		4 LYS A 163
LEU A 166
PHE A 170
PHE A 128
 None
 1.00A 2einC-2pkgA:
undetectable
2einJ-2pkgA:
undetectable		 2einC-2pkgA:
18.53
2einJ-2pkgA:
8.85
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.
2q6z UROPORPHYRINOGEN
DECARBOXYLASE

(Homo sapiens) 		PF01208
(URO-D) 		4 LEU A 216
GLN A 215
PHE A 154
LEU A 199
 None
 1.06A 2einC-2q6zA:
undetectable
2einJ-2q6zA:
undetectable		 2einC-2q6zA:
20.71
2einJ-2q6zA:
9.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qp2 UNKNOWN PROTEIN

(Photorhabdus
laumondii) 		PF01823
(MACPF) 		4 LYS A 335
LEU A 338
PHE A 342
LEU A 194
 None
 1.06A 2einC-2qp2A:
undetectable
2einJ-2qp2A:
undetectable		 2einC-2qp2A:
18.59
2einJ-2qp2A:
7.05
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.
3b86 GENERAL
ODORANT-BINDING
PROTEIN LUSH

(Drosophila
melanogaster) 		PF01395
(PBP_GOBP) 		4 LEU A  44
PHE A  21
LEU A  31
PHE A  36
 None
 0.96A 2einC-3b86A:
undetectable
2einJ-3b86A:
undetectable		 2einC-3b86A:
17.60
2einJ-3b86A:
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.
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 LEU A  42
GLN A  41
LEU A 481
PHE A  48
 None
 1.01A 2einC-3b96A:
undetectable
2einJ-3b96A:
undetectable		 2einC-3b96A:
18.56
2einJ-3b96A:
6.45
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.
3ba3 PYRIDOXAMINE
5'-PHOSPHATE
OXIDASE-LIKE PROTEIN

(Lactobacillus
plantarum) 		no annotation 4 LEU A 123
GLN A  87
PHE A 121
LEU A  18
 None
 1.00A 2einC-3ba3A:
undetectable
2einJ-3ba3A:
undetectable		 2einC-3ba3A:
21.19
2einJ-3ba3A:
18.71
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.
3d1d RNA-INDUCED
TRANSCRIPTIONAL
SILENCING COMPLEX
PROTEIN TAS3

(Schizosaccharomyces
pombe) 		no annotation 4 LEU A 477
GLN A 478
LEU A 443
PHE A 449
 None
 1.03A 2einC-3d1dA:
undetectable
2einJ-3d1dA:
undetectable		 2einC-3d1dA:
19.47
2einJ-3d1dA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d3f YVGN PROTEIN

(Bacillus
subtilis) 		PF00248
(Aldo_ket_red) 		4 ARG A  71
LEU A 103
GLN A 102
LEU A 106
 None
 1.05A 2einC-3d3fA:
undetectable
2einJ-3d3fA:
undetectable		 2einC-3d3fA:
20.40
2einJ-3d3fA:
15.54
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.
3e4e CYTOCHROME P450 2E1

(Homo sapiens) 		PF00067
(p450) 		4 LYS A 461
LEU A 460
PHE A 458
LEU A 312
 None
 1.03A 2einC-3e4eA:
undetectable
2einJ-3e4eA:
undetectable		 2einC-3e4eA:
19.83
2einJ-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.
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 2einC-3g1zA:
undetectable
2einJ-3g1zA:
undetectable		 2einC-3g1zA:
20.94
2einJ-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
 0.78A 2einC-3hrtA:
undetectable
2einJ-3hrtA:
undetectable		 2einC-3hrtA:
18.61
2einJ-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.
3jb4 VP3

(Parechovirus B) 		PF00073
(Rhv) 		4 LYS C 132
PHE C 129
LEU C 201
PHE C 103
 None
 1.01A 2einC-3jb4C:
undetectable
2einJ-3jb4C:
undetectable		 2einC-3jb4C:
19.72
2einJ-3jb4C:
12.97
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.
3l6c SERINE RACEMASE

(Rattus
norvegicus) 		PF00291
(PALP) 		4 LEU A 171
GLN A 173
LEU A 200
PHE A   9
 None
 1.02A 2einC-3l6cA:
undetectable
2einJ-3l6cA:
undetectable		 2einC-3l6cA:
21.73
2einJ-3l6cA:
12.28
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.
3lcr TAUTOMYCETIN
BIOSYNTHETIC PKS

(Streptomyces
sp. CK4412) 		PF00975
(Thioesterase) 		4 LEU A 229
GLN A 227
LEU A 178
PHE A 182
 None
 1.03A 2einC-3lcrA:
undetectable
2einJ-3lcrA:
undetectable		 2einC-3lcrA:
20.45
2einJ-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.
3mtv PAPAIN-LIKE CYSTEINE
PROTEASE

(Porcine
reproductive
and respiratory
syndrome virus) 		PF05411
(Peptidase_C32) 		4 LYS A 161
LEU A 160
GLN A 148
LEU A  94
 None
 0.88A 2einC-3mtvA:
undetectable
2einJ-3mtvA:
undetectable		 2einC-3mtvA:
19.92
2einJ-3mtvA:
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.
3mvu TENA FAMILY
TRANSCRIPTIONAL
REGULATOR

(Ruegeria sp.
TM1040) 		PF03070
(TENA_THI-4) 		4 LEU A 204
PHE A 208
LEU A 187
PHE A 195
 None
None
None
EDO  A 231 (-3.8A)
 1.01A 2einC-3mvuA:
2.9
2einJ-3mvuA:
undetectable		 2einC-3mvuA:
20.30
2einJ-3mvuA:
14.75
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.
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF00342
(PGI) 		4 LEU A  15
GLN A  16
PHE A  19
LEU A  66
 None
 0.69A 2einC-3nbuA:
undetectable
2einJ-3nbuA:
undetectable		 2einC-3nbuA:
18.63
2einJ-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.
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
 0.92A 2einC-3opbA:
undetectable
2einJ-3opbA:
undetectable		 2einC-3opbA:
14.10
2einJ-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
 0.85A 2einC-3pl0A:
undetectable
2einJ-3pl0A:
undetectable		 2einC-3pl0A:
21.36
2einJ-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.
3q8i ODORANT BINDING
PROTEIN

(Anopheles
gambiae) 		PF01395
(PBP_GOBP) 		4 LEU A  44
PHE A  21
LEU A  31
PHE A  36
 None
 1.01A 2einC-3q8iA:
undetectable
2einJ-3q8iA:
undetectable		 2einC-3q8iA:
17.72
2einJ-3q8iA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.91A 2einC-3qc5X:
undetectable
2einJ-3qc5X:
undetectable		 2einC-3qc5X:
19.45
2einJ-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
 1.02A 2einC-3rd5A:
undetectable
2einJ-3rd5A:
undetectable		 2einC-3rd5A:
21.79
2einJ-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.
3u58 TETRAHYMENA TEB1 AB

(Tetrahymena
thermophila) 		PF01336
(tRNA_anti-codon) 		4 LYS A 457
LEU A 456
GLN A 455
LEU A 389
 None
 0.90A 2einC-3u58A:
undetectable
2einJ-3u58A:
undetectable		 2einC-3u58A:
21.88
2einJ-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.
3urz UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF13174
(TPR_6) 		4 LYS A  97
LEU A 100
GLN A 101
LEU A 110
 None
CSX  A 109 ( 4.3A)
None
CSX  A 109 ( 4.4A)
 1.03A 2einC-3urzA:
4.3
2einJ-3urzA:
undetectable		 2einC-3urzA:
17.78
2einJ-3urzA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wi3 DNA REPLICATION
REGULATOR SLD3

(Saccharomyces
cerevisiae) 		PF08639
(SLD3) 		4 GLN A 415
PHE A 412
LEU A 398
PHE A 393
 None
 0.94A 2einC-3wi3A:
2.6
2einJ-3wi3A:
undetectable		 2einC-3wi3A:
18.93
2einJ-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.
4a8e PROBABLE TYROSINE
RECOMBINASE
XERC-LIKE

(Pyrococcus
abyssi) 		PF00589
(Phage_integrase)
PF02899
(Phage_int_SAM_1) 		4 ARG A 184
LEU A 181
LEU A 191
PHE A 192
 None
 0.91A 2einC-4a8eA:
undetectable
2einJ-4a8eA:
undetectable		 2einC-4a8eA:
19.68
2einJ-4a8eA:
12.25
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.
4abn TETRATRICOPEPTIDE
REPEAT PROTEIN 5

(Mus musculus) 		PF16669
(TTC5_OB) 		4 LYS A 281
PHE A 355
LEU A 274
PHE A 405
 None
 1.02A 2einC-4abnA:
3.3
2einJ-4abnA:
undetectable		 2einC-4abnA:
19.53
2einJ-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.
4aqq L2 PROTEIN III
(PENTON BASE)

(Human
mastadenovirus
B) 		PF01686
(Adeno_Penton_B) 		4 LYS A 124
LEU A 123
GLN A 122
LEU A 414
 None
 0.93A 2einC-4aqqA:
undetectable
2einJ-4aqqA:
undetectable		 2einC-4aqqA:
19.73
2einJ-4aqqA:
11.44
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.
4c0d CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF04054
(Not1) 		4 GLN A2252
PHE A2251
LEU A2196
PHE A2192
 None
 0.94A 2einC-4c0dA:
3.0
2einJ-4c0dA:
undetectable		 2einC-4c0dA:
14.62
2einJ-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.
4c0d CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF04054
(Not1) 		4 LEU A1975
GLN A1976
LEU A2026
PHE A2034
 None
 0.96A 2einC-4c0dA:
3.0
2einJ-4c0dA:
undetectable		 2einC-4c0dA:
14.62
2einJ-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
 0.90A 2einC-4ecoA:
undetectable
2einJ-4ecoA:
undetectable		 2einC-4ecoA:
16.35
2einJ-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
 1.06A 2einC-4fbdA:
undetectable
2einJ-4fbdA:
undetectable		 2einC-4fbdA:
21.55
2einJ-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.
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)
 0.99A 2einC-4flxA:
2.4
2einJ-4flxA:
undetectable		 2einC-4flxA:
13.49
2einJ-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.
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
 1.00A 2einC-4j0mA:
undetectable
2einJ-4j0mA:
undetectable		 2einC-4j0mA:
16.01
2einJ-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
 0.95A 2einC-4ma5A:
undetectable
2einJ-4ma5A:
undetectable		 2einC-4ma5A:
22.16
2einJ-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
 1.03A 2einC-4ma5A:
undetectable
2einJ-4ma5A:
undetectable		 2einC-4ma5A:
22.16
2einJ-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.
4n6q VOSA

(Aspergillus
nidulans) 		PF11754
(Velvet) 		4 LYS A 132
LEU A 131
PHE A 129
LEU A 121
 None
 0.79A 2einC-4n6qA:
undetectable
2einJ-4n6qA:
undetectable		 2einC-4n6qA:
22.18
2einJ-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.
4nfu SENESCENCE-ASSOCIATE
D CARBOXYLESTERASE
101

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		4 LEU B 189
GLN B 186
LEU B 157
PHE B  95
 None
 1.07A 2einC-4nfuB:
2.9
2einJ-4nfuB:
undetectable		 2einC-4nfuB:
18.15
2einJ-4nfuB:
7.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oya ADENYLATE CYCLASE
TYPE 10

(Homo sapiens) 		PF00211
(Guanylate_cyc) 		4 GLN A 375
PHE A 372
LEU A 299
PHE A 301
 None
 0.93A 2einC-4oyaA:
undetectable
2einJ-4oyaA:
undetectable		 2einC-4oyaA:
19.62
2einJ-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.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		4 LYS A 115
LEU A 118
GLN A 370
PHE A 362
 None
 1.02A 2einC-4ph9A:
undetectable
2einJ-4ph9A:
undetectable		 2einC-4ph9A:
20.75
2einJ-4ph9A:
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.
4tuf MAJOR EXTRACELLULAR
ENDOGLUCANASE

(Xanthomonas
campestris) 		PF00150
(Cellulase) 		4 LYS A  45
LEU A  44
GLN A  43
LEU A 175
 None
 1.00A 2einC-4tufA:
undetectable
2einJ-4tufA:
undetectable		 2einC-4tufA:
21.01
2einJ-4tufA:
10.65
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.
4ud4 POLY(A) RNA
POLYMERASE PROTEIN
CID1

(Schizosaccharomyces
pombe) 		PF01909
(NTP_transf_2)
PF03828
(PAP_assoc) 		4 LEU A 145
GLN A 158
LEU A 125
PHE A 121
 None
 0.93A 2einC-4ud4A:
undetectable
2einJ-4ud4A:
undetectable		 2einC-4ud4A:
19.95
2einJ-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.
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 2einC-4ud4A:
undetectable
2einJ-4ud4A:
undetectable		 2einC-4ud4A:
19.95
2einJ-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 2einC-4us5A:
undetectable
2einJ-4us5A:
undetectable		 2einC-4us5A:
20.29
2einJ-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.
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		4 LYS A 331
LEU A 334
LEU A 503
PHE A 499
 None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
 0.63A 2einC-4wn9A:
undetectable
2einJ-4wn9A:
undetectable		 2einC-4wn9A:
17.15
2einJ-4wn9A:
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.
4x00 PUTATIVE HYDROLASE

(Burkholderia
cenocepacia) 		PF12697
(Abhydrolase_6) 		4 LEU A  59
GLN A  60
LEU A 273
PHE A 269
 None
 0.81A 2einC-4x00A:
undetectable
2einJ-4x00A:
undetectable		 2einC-4x00A:
21.50
2einJ-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.
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
 0.97A 2einC-4xgtA:
undetectable
2einJ-4xgtA:
undetectable		 2einC-4xgtA:
12.69
2einJ-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.
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 2einC-5boiA:
undetectable
2einJ-5boiA:
undetectable		 2einC-5boiA:
20.21
2einJ-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.
5bza BETA-N-ACETYLHEXOSAM
INIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3) 		4 LEU A 463
GLN A 460
PHE A 459
LEU A 343
 None
 1.02A 2einC-5bzaA:
undetectable
2einJ-5bzaA:
undetectable		 2einC-5bzaA:
17.12
2einJ-5bzaA:
10.24
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.
5c9h TELOMERASE REVERSE
TRANSCRIPTASE

(Tetrahymena
thermophila) 		PF12009
(Telomerase_RBD) 		4 GLN A 382
PHE A 379
LEU A 405
PHE A 401
 None
 0.88A 2einC-5c9hA:
undetectable
2einJ-5c9hA:
undetectable		 2einC-5c9hA:
18.61
2einJ-5c9hA:
11.36
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.
5cww NUCLEOPORIN NUP82
NUCLEOPORIN NUP159

(Chaetomium
thermophilum;
Chaetomium
thermophilum) 		no annotation
no annotation 		4 ARG C1447
LYS C1448
LEU C1451
LEU B 425
 None
 1.00A 2einC-5cwwC:
undetectable
2einJ-5cwwC:
undetectable		 2einC-5cwwC:
8.89
2einJ-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.
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
 1.00A 2einC-5d9aB:
undetectable
2einJ-5d9aB:
undetectable		 2einC-5d9aB:
16.47
2einJ-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 2einC-5du9A:
undetectable
2einJ-5du9A:
undetectable		 2einC-5du9A:
20.97
2einJ-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
 1.07A 2einC-5e0cA:
undetectable
2einJ-5e0cA:
undetectable		 2einC-5e0cA:
20.19
2einJ-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.
5fn3 PRESENILIN-1

(Homo sapiens) 		PF01080
(Presenilin) 		4 LEU B 392
PHE B 388
LEU B 443
PHE B 447
 None
 1.01A 2einC-5fn3B:
2.1
2einJ-5fn3B:
undetectable		 2einC-5fn3B:
20.04
2einJ-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.
5fr8 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 GLN A 518
PHE A 517
LEU A 586
PHE A 588
 None
 1.05A 2einC-5fr8A:
undetectable
2einJ-5fr8A:
undetectable		 2einC-5fr8A:
16.67
2einJ-5fr8A:
5.52
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.
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
 0.93A 2einC-5ggyA:
undetectable
2einJ-5ggyA:
undetectable		 2einC-5ggyA:
20.56
2einJ-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
 0.95A 2einC-5gsmA:
undetectable
2einJ-5gsmA:
undetectable		 2einC-5gsmA:
16.50
2einJ-5gsmA:
6.61
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
 0.48A 2einC-5iy5C:
36.7
2einJ-5iy5C:
undetectable		 2einC-5iy5C:
100.00
2einJ-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
 0.27A 2einC-5iy5C:
36.7
2einJ-5iy5C:
undetectable		 2einC-5iy5C:
100.00
2einJ-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.
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
 1.05A 2einC-5jltA:
undetectable
2einJ-5jltA:
undetectable		 2einC-5jltA:
16.67
2einJ-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.
5k8o 5-NITROANTHRANILIC
ACID AMINOHYDROLASE

(Bradyrhizobium
sp.) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 LEU A 345
GLN A 346
LEU A  81
PHE A  83
 None
 0.97A 2einC-5k8oA:
undetectable
2einJ-5k8oA:
undetectable		 2einC-5k8oA:
17.58
2einJ-5k8oA:
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.
5l94 CYTOCHROME P450

(Bacillus
megaterium) 		PF00067
(p450) 		4 LEU A 227
GLN A 226
LEU A 217
PHE A 235
 None
 1.02A 2einC-5l94A:
undetectable
2einJ-5l94A:
undetectable		 2einC-5l94A:
19.00
2einJ-5l94A:
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.
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
 0.98A 2einC-5la7A:
undetectable
2einJ-5la7A:
undetectable		 2einC-5la7A:
19.44
2einJ-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.
5lut BLM HELICASE

(Gallus gallus) 		PF08072
(BDHCT) 		4 LYS A 343
LEU A 346
GLN A 347
LEU A 333
 None
 0.75A 2einC-5lutA:
undetectable
2einJ-5lutA:
undetectable		 2einC-5lutA:
12.60
2einJ-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.
5mjs TUBULIN BETA CHAIN

(Schizosaccharomyces
pombe) 		no annotation 4 LEU A 135
GLN A 134
PHE A 133
LEU A 151
 None
 1.02A 2einC-5mjsA:
undetectable
2einJ-5mjsA:
undetectable		 2einC-5mjsA:
undetectable
2einJ-5mjsA:
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.
5ojq HAEMOLYSIN
CO-REGULATED PROTEIN

(Vibrio cholerae) 		PF05638
(T6SS_HCP) 		4 LYS 1 114
LEU 1 115
LEU 1 146
PHE 1  70
 None
 0.94A 2einC-5ojq1:
undetectable
2einJ-5ojq1:
undetectable		 2einC-5ojq1:
21.66
2einJ-5ojq1:
17.45
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.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		4 LYS A 167
LEU A 170
LEU A 130
PHE A 155
 None
 0.79A 2einC-5u47A:
undetectable
2einJ-5u47A:
undetectable		 2einC-5u47A:
13.82
2einJ-5u47A:
6.22
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.
5uvn PARAQUAT-INDUCIBLE
PROTEIN B

(Escherichia
coli) 		PF02470
(MlaD) 		4 LEU A 202
GLN A 201
PHE A 203
PHE A 250
 None
 1.00A 2einC-5uvnA:
undetectable
2einJ-5uvnA:
undetectable		 2einC-5uvnA:
20.54
2einJ-5uvnA:
11.78
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.
5v91 FOSFOMYCIN
RESISTANCE PROTEIN

(Klebsiella
pneumoniae) 		PF00903
(Glyoxalase) 		4 LEU A  25
GLN A  24
LEU A  84
PHE A 104
 None
 1.05A 2einC-5v91A:
undetectable
2einJ-5v91A:
undetectable		 2einC-5v91A:
20.65
2einJ-5v91A:
17.16
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.
5wea PROTEIN ARGONAUTE-2

(Homo sapiens) 		no annotation 4 LYS A  51
LEU A 140
GLN A 141
LEU A 162
 None
 1.06A 2einC-5weaA:
undetectable
2einJ-5weaA:
undetectable		 2einC-5weaA:
13.97
2einJ-5weaA:
7.45
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.
5xhx HELIX-TURN-HELIX
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		no annotation 4 LEU A 141
GLN A 128
LEU A  30
PHE A  26
 None
 0.95A 2einC-5xhxA:
undetectable
2einJ-5xhxA:
undetectable		 2einC-5xhxA:
21.93
2einJ-5xhxA:
16.86
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.
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
 0.90A 2einC-5xogA:
3.9
2einJ-5xogA:
undetectable		 2einC-5xogA:
9.55
2einJ-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.
6c0m HEMAGGLUTININ-NEURAM
INIDASE

(Human
respirovirus 3) 		no annotation 4 LYS A 395
LEU A 394
LEU A 268
PHE A 334
 None
 1.05A 2einC-6c0mA:
undetectable
2einJ-6c0mA:
undetectable		 2einC-6c0mA:
undetectable
2einJ-6c0mA:
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.
6c29 PUTATIVE METAL
RESISTANCE PROTEIN

(Proteus
mirabilis) 		no annotation 4 LEU A 167
GLN A 166
LEU A 227
PHE A 229
 None
 0.90A 2einC-6c29A:
undetectable
2einJ-6c29A:
undetectable		 2einC-6c29A:
undetectable
2einJ-6c29A:
undetectable