SIMILAR PATTERNS OF AMINO ACIDS FOR 2DYS_C_CHDC310

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
 0.98A 2dysC-1a3qA:
undetectable
2dysJ-1a3qA:
0.0		 2dysC-1a3qA:
21.92
2dysJ-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.
1c8u ACYL-COA
THIOESTERASE II

(Escherichia
coli) 		PF13622
(4HBT_3) 		5 LEU A  56
GLN A 109
PHE A 108
LEU A 192
PHE A 239
 None
 1.43A 2dysC-1c8uA:
undetectable
2dysJ-1c8uA:
0.0		 2dysC-1c8uA:
22.53
2dysJ-1c8uA:
12.36
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.
1g59 GLUTAMYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00749
(tRNA-synt_1c) 		4 LYS A 149
LEU A 148
LEU A 219
PHE A 223
 None
 0.90A 2dysC-1g59A:
0.0
2dysJ-1g59A:
0.0		 2dysC-1g59A:
18.76
2dysJ-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
 1.01A 2dysC-1gtkA:
undetectable
2dysJ-1gtkA:
0.0		 2dysC-1gtkA:
21.18
2dysJ-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
 1.02A 2dysC-1hkkA:
0.3
2dysJ-1hkkA:
0.0		 2dysC-1hkkA:
21.66
2dysJ-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.
1ji7 ETS-RELATED PROTEIN
TEL1

(Homo sapiens) 		PF02198
(SAM_PNT) 		4 LYS A  39
GLN A  36
LEU A  84
PHE A  45
 None
 1.03A 2dysC-1ji7A:
undetectable
2dysJ-1ji7A:
0.0		 2dysC-1ji7A:
16.46
2dysJ-1ji7A:
20.22
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.
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
 0.84A 2dysC-1jkwA:
0.7
2dysJ-1jkwA:
0.0		 2dysC-1jkwA:
20.52
2dysJ-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.
1kaf TRANSCRIPTION
REGULATORY PROTEIN
MOTA

(Escherichia
virus T4) 		PF09158
(MotCF) 		4 LYS A 130
LEU A 128
LEU A 121
PHE A 152
 None
 1.00A 2dysC-1kafA:
undetectable
2dysJ-1kafA:
0.0		 2dysC-1kafA:
14.29
2dysJ-1kafA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.80A 2dysC-1kkcA:
2.5
2dysJ-1kkcA:
0.0		 2dysC-1kkcA:
19.93
2dysJ-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.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 ARG A 217
LEU A 221
GLN A 223
LEU A 287
 None
 0.88A 2dysC-1lnlA:
0.4
2dysJ-1lnlA:
undetectable		 2dysC-1lnlA:
20.98
2dysJ-1lnlA:
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.
1m33 BIOH PROTEIN

(Escherichia
coli) 		PF00561
(Abhydrolase_1) 		4 LEU A 132
GLN A 131
PHE A 128
LEU A 176
 None
 0.84A 2dysC-1m33A:
undetectable
2dysJ-1m33A:
undetectable		 2dysC-1m33A:
20.57
2dysJ-1m33A:
10.67
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.
1oj4 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE

(Escherichia
coli) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 LYS A 271
LEU A  35
PHE A  34
PHE A 245
 None
 0.89A 2dysC-1oj4A:
0.1
2dysJ-1oj4A:
undetectable		 2dysC-1oj4A:
23.79
2dysJ-1oj4A:
17.11
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.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
60 KDA SUBUNIT

(Paracoccus
denitrificans) 		PF09098
(Dehyd-heme_bind)
PF09099
(Qn_am_d_aIII)
PF09100
(Qn_am_d_aIV)
PF14930
(Qn_am_d_aII) 		4 LYS A 326
LEU A 325
GLN A 293
LEU A 340
 None
 0.88A 2dysC-1pbyA:
undetectable
2dysJ-1pbyA:
undetectable		 2dysC-1pbyA:
18.43
2dysJ-1pbyA:
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.
1q3i NA,K-ATPASE

(Sus scrofa) 		PF13246
(Cation_ATPase) 		4 LYS A 575
LEU A 576
LEU A 498
PHE A 571
 None
 0.99A 2dysC-1q3iA:
undetectable
2dysJ-1q3iA:
undetectable		 2dysC-1q3iA:
21.77
2dysJ-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
 1.03A 2dysC-1qsaA:
undetectable
2dysJ-1qsaA:
undetectable		 2dysC-1qsaA:
17.26
2dysJ-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.
1rj7 ECTODYSPLASIN A

(Homo sapiens) 		PF00229
(TNF) 		4 LEU A 253
GLN A 254
LEU A 293
PHE A 284
 None
 0.90A 2dysC-1rj7A:
undetectable
2dysJ-1rj7A:
undetectable		 2dysC-1rj7A:
19.93
2dysJ-1rj7A:
15.65
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.
1rj7 ECTODYSPLASIN A

(Homo sapiens) 		PF00229
(TNF) 		4 LEU A 253
GLN A 254
PHE A 379
PHE A 284
 None
 0.88A 2dysC-1rj7A:
undetectable
2dysJ-1rj7A:
undetectable		 2dysC-1rj7A:
19.93
2dysJ-1rj7A:
15.65
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.
1sbp SULFATE-BINDING
PROTEIN

(Salmonella
enterica) 		PF13531
(SBP_bac_11) 		4 ARG A 261
LEU A 280
PHE A 281
LEU A 278
 None
 1.00A 2dysC-1sbpA:
undetectable
2dysJ-1sbpA:
undetectable		 2dysC-1sbpA:
22.60
2dysJ-1sbpA:
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.
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
 1.00A 2dysC-1t9kA:
undetectable
2dysJ-1t9kA:
undetectable		 2dysC-1t9kA:
19.83
2dysJ-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
 1.03A 2dysC-1tuzA:
undetectable
2dysJ-1tuzA:
undetectable		 2dysC-1tuzA:
16.86
2dysJ-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
 0.81A 2dysC-1u8vA:
2.9
2dysJ-1u8vA:
undetectable		 2dysC-1u8vA:
19.70
2dysJ-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.
1uzg MAJOR ENVELOPE
PROTEIN E

(Dengue virus) 		PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C) 		4 LYS A  47
LEU A  45
GLN A  46
LEU A 281
 None
 0.87A 2dysC-1uzgA:
undetectable
2dysJ-1uzgA:
undetectable		 2dysC-1uzgA:
20.75
2dysJ-1uzgA:
8.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v8d HYPOTHETICAL PROTEIN
(TT1679)

(Thermus
thermophilus) 		PF04260
(DUF436) 		4 LEU A  55
GLN A  56
LEU A 100
PHE A  66
 None
 0.85A 2dysC-1v8dA:
undetectable
2dysJ-1v8dA:
undetectable		 2dysC-1v8dA:
21.82
2dysJ-1v8dA:
11.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vq0 33 KDA CHAPERONIN

(Thermotoga
maritima) 		PF01430
(HSP33) 		4 LEU A 113
GLN A 128
LEU A 140
PHE A 144
 None
None
None
EDO  A 303 (-4.5A)
 1.02A 2dysC-1vq0A:
undetectable
2dysJ-1vq0A:
undetectable		 2dysC-1vq0A:
20.31
2dysJ-1vq0A:
12.86
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.
1w61 B-CELL MITOGEN

(Trypanosoma
cruzi) 		PF05544
(Pro_racemase) 		4 LYS A  77
LEU A  80
GLN A  81
LEU A  65
 None
 0.88A 2dysC-1w61A:
undetectable
2dysJ-1w61A:
undetectable		 2dysC-1w61A:
20.61
2dysJ-1w61A:
9.60
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.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 LEU A  66
GLN A  65
LEU A  94
PHE A 132
 None
 0.94A 2dysC-1wb0A:
undetectable
2dysJ-1wb0A:
undetectable		 2dysC-1wb0A:
19.69
2dysJ-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.
1y76 PROTEIN ASSOCIATED
TO TIGHT JUNCTIONS

(Rattus
norvegicus) 		PF09045
(L27_2) 		4 LEU A  13
GLN A  14
LEU A  42
PHE A  38
 None
 0.90A 2dysC-1y76A:
undetectable
2dysJ-1y76A:
undetectable		 2dysC-1y76A:
13.03
2dysJ-1y76A:
33.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y9i LOW TEMPERATURE
REQUIREMENT C
PROTEIN

(Listeria
monocytogenes) 		PF04608
(PgpA) 		4 LEU A  80
GLN A  82
LEU A  71
PHE A 142
 None
 1.02A 2dysC-1y9iA:
undetectable
2dysJ-1y9iA:
undetectable		 2dysC-1y9iA:
22.83
2dysJ-1y9iA:
16.38
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.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		4 LEU A 184
PHE A 158
LEU A 176
PHE A 172
 None
 0.89A 2dysC-1yw6A:
undetectable
2dysJ-1yw6A:
undetectable		 2dysC-1yw6A:
20.54
2dysJ-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.
2brt LEUCOANTHOCYANIDIN
DIOXYGENASE

(Arabidopsis
thaliana) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		4 LEU A 210
GLN A 211
PHE A 304
LEU A 176
 None
None
NAR  A1352 ( 3.5A)
None
 1.00A 2dysC-2brtA:
undetectable
2dysJ-2brtA:
undetectable		 2dysC-2brtA:
19.40
2dysJ-2brtA:
13.23
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.
2cfm THERMOSTABLE DNA
LIGASE

(Pyrococcus
furiosus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 LEU A 522
GLN A 511
PHE A 520
LEU A 428
 None
 1.01A 2dysC-2cfmA:
undetectable
2dysJ-2cfmA:
undetectable		 2dysC-2cfmA:
17.30
2dysJ-2cfmA:
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.
2fef HYPOTHETICAL PROTEIN
PA2201

(Pseudomonas
aeruginosa) 		PF08929
(DUF1911) 		4 LEU A 173
GLN A 174
PHE A 175
LEU A 153
 None
 1.02A 2dysC-2fefA:
2.2
2dysJ-2fefA:
undetectable		 2dysC-2fefA:
23.55
2dysJ-2fefA:
11.30
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.
2ghb MALTOSE ABC
TRANSPORTER,
PERIPLASMIC
MALTOSE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF13416
(SBP_bac_8) 		5 LYS A 102
LEU A 103
PHE A  97
LEU A  86
PHE A  83
 None
 1.38A 2dysC-2ghbA:
undetectable
2dysJ-2ghbA:
undetectable		 2dysC-2ghbA:
19.69
2dysJ-2ghbA:
9.45
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.
2hi3 HOMEODOMAIN-ONLY
PROTEIN

(Mus musculus) 		PF00046
(Homeobox) 		4 ARG A  59
LEU A  55
GLN A  53
PHE A  51
 None
 0.99A 2dysC-2hi3A:
undetectable
2dysJ-2hi3A:
undetectable		 2dysC-2hi3A:
13.41
2dysJ-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.
2in3 HYPOTHETICAL PROTEIN

(Nitrosomonas
europaea) 		PF01323
(DSBA) 		4 GLN A 117
PHE A 120
LEU A 133
PHE A 151
 None
 1.00A 2dysC-2in3A:
undetectable
2dysJ-2in3A:
undetectable		 2dysC-2in3A:
22.22
2dysJ-2in3A:
20.59
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.
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
 0.92A 2dysC-2irwA:
undetectable
2dysJ-2irwA:
undetectable		 2dysC-2irwA:
18.75
2dysJ-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.
2ix8 ELONGATION FACTOR 3A

(Saccharomyces
cerevisiae) 		PF00005
(ABC_tran) 		4 LYS A1616
LEU A1617
GLN A1449
LEU A1471
 None
 1.01A 2dysC-2ix8A:
undetectable
2dysJ-2ix8A:
undetectable		 2dysC-2ix8A:
12.63
2dysJ-2ix8A:
5.22
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.
2j4x MITOGEN

(Streptococcus
dysgalactiae) 		PF02876
(Stap_Strp_tox_C) 		4 LYS A 103
LEU A 104
GLN A 130
PHE A 129
 None
 1.02A 2dysC-2j4xA:
undetectable
2dysJ-2j4xA:
undetectable		 2dysC-2j4xA:
17.80
2dysJ-2j4xA:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o36 THIMET
OLIGOPEPTIDASE

(Homo sapiens) 		PF01432
(Peptidase_M3) 		4 LEU A 564
GLN A 567
LEU A 601
PHE A 598
 None
 0.93A 2dysC-2o36A:
4.9
2dysJ-2o36A:
undetectable		 2dysC-2o36A:
17.45
2dysJ-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.
2olt HYPOTHETICAL PROTEIN

(Shewanella
oneidensis) 		PF01865
(PhoU_div) 		4 LEU A 117
GLN A 118
PHE A 121
LEU A 183
 None
 0.83A 2dysC-2oltA:
3.1
2dysJ-2oltA:
undetectable		 2dysC-2oltA:
22.38
2dysJ-2oltA:
16.75
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.
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 2dysC-2optA:
3.0
2dysJ-2optA:
undetectable		 2dysC-2optA:
23.19
2dysJ-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
 0.75A 2dysC-2otnA:
undetectable
2dysJ-2otnA:
undetectable		 2dysC-2otnA:
21.78
2dysJ-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
 0.94A 2dysC-2pkgA:
undetectable
2dysJ-2pkgA:
undetectable		 2dysC-2pkgA:
18.53
2dysJ-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.
2q0x UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF08538
(DUF1749) 		4 LEU A 288
GLN A 289
PHE A 290
LEU A  64
 None
 1.02A 2dysC-2q0xA:
undetectable
2dysJ-2q0xA:
undetectable		 2dysC-2q0xA:
23.31
2dysJ-2q0xA:
11.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qp2 UNKNOWN PROTEIN

(Photorhabdus
laumondii) 		PF01823
(MACPF) 		4 LYS A 335
LEU A 338
PHE A 342
LEU A 194
 None
 0.98A 2dysC-2qp2A:
undetectable
2dysJ-2qp2A:
undetectable		 2dysC-2qp2A:
18.59
2dysJ-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.
2qr6 IMP
DEHYDROGENASE/GMP
REDUCTASE

(Corynebacterium
glutamicum) 		PF00478
(IMPDH) 		4 LEU A 363
GLN A 367
PHE A 366
PHE A  51
 None
 0.81A 2dysC-2qr6A:
undetectable
2dysJ-2qr6A:
undetectable		 2dysC-2qr6A:
17.81
2dysJ-2qr6A:
9.67
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.
2qv8 GENERAL SECRETION
PATHWAY PROTEIN H

(Vibrio cholerae) 		PF12019
(GspH) 		4 LEU A 177
GLN A 172
LEU A  43
PHE A  39
 None
 1.03A 2dysC-2qv8A:
undetectable
2dysJ-2qv8A:
undetectable		 2dysC-2qv8A:
17.74
2dysJ-2qv8A:
17.39
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.
2r4g TELOMERASE REVERSE
TRANSCRIPTASE

(Tetrahymena
thermophila) 		PF12009
(Telomerase_RBD) 		4 GLN A 382
PHE A 379
LEU A 405
PHE A 401
 None
 1.00A 2dysC-2r4gA:
undetectable
2dysJ-2r4gA:
undetectable		 2dysC-2r4gA:
19.66
2dysJ-2r4gA:
11.34
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.
2rrd HRDC DOMAIN FROM
BLOOM SYNDROME
PROTEIN

(Homo sapiens) 		PF00570
(HRDC) 		4 LEU A  88
GLN A  89
LEU A  55
PHE A  47
 None
 1.00A 2dysC-2rrdA:
undetectable
2dysJ-2rrdA:
undetectable		 2dysC-2rrdA:
18.63
2dysJ-2rrdA:
20.79
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.
2uxo HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR

(Pseudomonas
putida) 		PF00440
(TetR_N)
PF08361
(TetR_C_2) 		4 ARG A  90
LYS A  91
LEU A  94
GLN A  95
 None
 1.03A 2dysC-2uxoA:
undetectable
2dysJ-2uxoA:
undetectable		 2dysC-2uxoA:
21.16
2dysJ-2uxoA:
15.71
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.
2wci GLUTAREDOXIN-4

(Escherichia
coli) 		PF00462
(Glutaredoxin) 		4 LEU A  74
GLN A  73
LEU A  40
PHE A  47
 None
 1.02A 2dysC-2wciA:
undetectable
2dysJ-2wciA:
undetectable		 2dysC-2wciA:
18.63
2dysJ-2wciA:
17.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wp0 HOBA
CHROMOSOMAL
REPLICATION
INITIATOR PROTEIN
DNAA

(Helicobacter
pylori;
Helicobacter
pylori) 		PF12163
(HobA)
no annotation 		4 LEU A  45
GLN C  52
LEU A 170
PHE A 171
 None
 1.02A 2dysC-2wp0A:
undetectable
2dysJ-2wp0A:
undetectable		 2dysC-2wp0A:
20.15
2dysJ-2wp0A:
15.17
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.
2xn6 THYROXINE-BINDING
GLOBULIN

(Homo sapiens) 		PF00079
(Serpin) 		4 LEU A 180
PHE A 349
LEU A  60
PHE A 315
 None
 1.02A 2dysC-2xn6A:
undetectable
2dysJ-2xn6A:
undetectable		 2dysC-2xn6A:
20.83
2dysJ-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.
2z2s RPOE, ECF SIGE

(Rhodobacter
sphaeroides) 		PF04542
(Sigma70_r2)
PF04545
(Sigma70_r4) 		4 ARG A  73
LEU A 176
GLN A 178
LEU A 103
 None
 1.01A 2dysC-2z2sA:
undetectable
2dysJ-2z2sA:
undetectable		 2dysC-2z2sA:
18.66
2dysJ-2z2sA:
17.88
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.
2z66 VARIABLE LYMPHOCYTE
RECEPTOR B,
TOLL-LIKE RECEPTOR 4

(Eptatretus
burgeri;
Homo sapiens) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		4 LEU A 424
PHE A 443
LEU A 404
PHE A 396
 None
 1.03A 2dysC-2z66A:
undetectable
2dysJ-2z66A:
undetectable		 2dysC-2z66A:
21.77
2dysJ-2z66A:
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.
2zf9 SCAE CELL-SURFACE
ANCHORED SCAFFOLDIN
PROTEIN

(Ruminococcus
flavefaciens) 		PF00963
(Cohesin) 		4 LYS A  70
LEU A 123
GLN A 124
PHE A 102
 None
 1.03A 2dysC-2zf9A:
undetectable
2dysJ-2zf9A:
undetectable		 2dysC-2zf9A:
20.74
2dysJ-2zf9A:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zou SPONDIN-1

(Homo sapiens) 		PF02014
(Reeler) 		5 LEU A 177
GLN A 172
PHE A 171
LEU A  82
PHE A  90
 EDO  A   6 (-3.8A)
EDO  A   6 (-4.9A)
None
None
None
 1.41A 2dysC-2zouA:
undetectable
2dysJ-2zouA:
undetectable		 2dysC-2zouA:
15.85
2dysJ-2zouA:
16.33
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.
2zxx DNA REPLICATION
FACTOR CDT1

(Mus musculus) 		PF08839
(CDT1) 		4 LEU C 199
GLN C 191
LEU C 314
PHE C 310
 None
 0.92A 2dysC-2zxxC:
undetectable
2dysJ-2zxxC:
undetectable		 2dysC-2zxxC:
20.21
2dysJ-2zxxC:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.97A 2dysC-3b86A:
undetectable
2dysJ-3b86A:
undetectable		 2dysC-3b86A:
17.60
2dysJ-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.
3bho CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 5

(Homo sapiens) 		PF13869
(NUDIX_2) 		5 LYS A 192
LEU A  97
GLN A  98
LEU A 129
PHE A 185
 None
 1.23A 2dysC-3bhoA:
undetectable
2dysJ-3bhoA:
undetectable		 2dysC-3bhoA:
19.00
2dysJ-3bhoA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bnw RIBOFLAVIN KINASE,
PUTATIVE

(Trypanosoma
brucei) 		PF01687
(Flavokinase) 		4 LEU A 143
GLN A 144
LEU A 113
PHE A 151
 None
 1.00A 2dysC-3bnwA:
undetectable
2dysJ-3bnwA:
undetectable		 2dysC-3bnwA:
21.11
2dysJ-3bnwA:
17.65
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.
3cr8 SULFATE
ADENYLYLTRANSFERASE,
ADENYLYLSULFATE
KINASE

(Thiobacillus
denitrificans) 		PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 LEU A  74
GLN A  73
PHE A  79
LEU A  56
 None
 0.89A 2dysC-3cr8A:
undetectable
2dysJ-3cr8A:
undetectable		 2dysC-3cr8A:
20.53
2dysJ-3cr8A:
6.16
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.
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
 0.95A 2dysC-3d1dA:
undetectable
2dysJ-3d1dA:
undetectable		 2dysC-3d1dA:
19.47
2dysJ-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.
3dqv CULLIN-5

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		4 LEU C1600
GLN C1599
PHE C1598
LEU C1551
 None
 0.84A 2dysC-3dqvC:
undetectable
2dysJ-3dqvC:
undetectable		 2dysC-3dqvC:
20.37
2dysJ-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.
3exn PROBABLE
ACETYLTRANSFERASE

(Thermus
thermophilus) 		PF00583
(Acetyltransf_1) 		4 LEU A  63
PHE A  62
LEU A  22
PHE A  26
 None
 0.84A 2dysC-3exnA:
undetectable
2dysJ-3exnA:
undetectable		 2dysC-3exnA:
23.02
2dysJ-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
 1.00A 2dysC-3eykA:
undetectable
2dysJ-3eykA:
undetectable		 2dysC-3eykA:
21.21
2dysJ-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.
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
 0.81A 2dysC-3g1zA:
undetectable
2dysJ-3g1zA:
undetectable		 2dysC-3g1zA:
20.94
2dysJ-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.
3gzg MOLYBDATE-BINDING
PERIPLASMIC PROTEIN
PERMEASE

(Xanthomonas
citri) 		PF13531
(SBP_bac_11) 		4 LEU A  80
PHE A 230
LEU A 216
PHE A 212
 None
 0.87A 2dysC-3gzgA:
undetectable
2dysJ-3gzgA:
undetectable		 2dysC-3gzgA:
24.09
2dysJ-3gzgA:
12.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB7

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		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)
PF00575
(S1)
PF03876
(SHS2_Rpb7-N) 		4 LYS G   3
LEU G   5
PHE A1496
LEU G  50
 None
 0.91A 2dysC-3h0gG:
undetectable
2dysJ-3h0gG:
undetectable		 2dysC-3h0gG:
22.22
2dysJ-3h0gG:
16.22
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		4 LEU A 916
GLN A 918
LEU A 640
PHE A 659
 None
 1.01A 2dysC-3hmjA:
3.2
2dysJ-3hmjA:
undetectable		 2dysC-3hmjA:
8.54
2dysJ-3hmjA:
3.33
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.
3hn2 2-DEHYDROPANTOATE
2-REDUCTASE

(Geobacter
metallireducens) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		4 LEU A 197
GLN A 199
LEU A 293
PHE A 273
 None
 1.02A 2dysC-3hn2A:
undetectable
2dysJ-3hn2A:
undetectable		 2dysC-3hn2A:
22.00
2dysJ-3hn2A:
10.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.64A 2dysC-3hrtA:
undetectable
2dysJ-3hrtA:
undetectable		 2dysC-3hrtA:
18.61
2dysJ-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.
3kt4 PKHD-TYPE
HYDROXYLASE TPA1

(Saccharomyces
cerevisiae) 		PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4) 		4 LEU A 355
GLN A 356
PHE A 359
PHE A 370
 None
 0.99A 2dysC-3kt4A:
undetectable
2dysJ-3kt4A:
undetectable		 2dysC-3kt4A:
18.26
2dysJ-3kt4A:
7.22
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.
3kwp PREDICTED
METHYLTRANSFERASE

(Lactobacillus
brevis) 		PF00590
(TP_methylase) 		4 LEU A 180
GLN A 181
LEU A 195
PHE A 227
 None
 1.02A 2dysC-3kwpA:
undetectable
2dysJ-3kwpA:
undetectable		 2dysC-3kwpA:
20.92
2dysJ-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.
3kwp PREDICTED
METHYLTRANSFERASE

(Lactobacillus
brevis) 		PF00590
(TP_methylase) 		4 LYS A 177
LEU A 180
GLN A 181
LEU A 195
 None
 0.95A 2dysC-3kwpA:
undetectable
2dysJ-3kwpA:
undetectable		 2dysC-3kwpA:
20.92
2dysJ-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.
3l6c SERINE RACEMASE

(Rattus
norvegicus) 		PF00291
(PALP) 		4 LEU A 171
GLN A 173
LEU A 200
PHE A   9
 None
 0.84A 2dysC-3l6cA:
undetectable
2dysJ-3l6cA:
undetectable		 2dysC-3l6cA:
21.73
2dysJ-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.
3l6r SERINE RACEMASE

(Homo sapiens) 		PF00291
(PALP) 		4 LEU A 171
GLN A 173
LEU A 200
PHE A   9
 None
 0.86A 2dysC-3l6rA:
undetectable
2dysJ-3l6rA:
undetectable		 2dysC-3l6rA:
21.74
2dysJ-3l6rA:
10.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lmm UNCHARACTERIZED
PROTEIN

(Corynebacterium
diphtheriae) 		PF04326
(AlbA_2)
PF13749
(HATPase_c_4) 		4 ARG A 197
LEU A 193
LEU A 211
PHE A 203
 None
 0.93A 2dysC-3lmmA:
undetectable
2dysJ-3lmmA:
undetectable		 2dysC-3lmmA:
17.18
2dysJ-3lmmA:
6.64
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.
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)
 0.91A 2dysC-3mvuA:
2.5
2dysJ-3mvuA:
undetectable		 2dysC-3mvuA:
20.30
2dysJ-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
 0.68A 2dysC-3nbuA:
undetectable
2dysJ-3nbuA:
undetectable		 2dysC-3nbuA:
18.63
2dysJ-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
 0.91A 2dysC-3ocjA:
undetectable
2dysJ-3ocjA:
undetectable		 2dysC-3ocjA:
23.24
2dysJ-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.
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
 0.96A 2dysC-3opbA:
undetectable
2dysJ-3opbA:
undetectable		 2dysC-3opbA:
14.10
2dysJ-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.
3os4 NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia pestis) 		PF04095
(NAPRTase) 		4 LEU A 150
GLN A 149
LEU A 192
PHE A 196
 None
 1.00A 2dysC-3os4A:
undetectable
2dysJ-3os4A:
undetectable		 2dysC-3os4A:
20.76
2dysJ-3os4A:
12.72
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.93A 2dysC-3pl0A:
undetectable
2dysJ-3pl0A:
undetectable		 2dysC-3pl0A:
21.36
2dysJ-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.
3qde CELLOBIOSE
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 LEU A 134
GLN A 255
LEU A 146
PHE A  72
 None
 1.00A 2dysC-3qdeA:
undetectable
2dysJ-3qdeA:
undetectable		 2dysC-3qdeA:
15.31
2dysJ-3qdeA:
4.98
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.
3qqz PUTATIVE
UNCHARACTERIZED
PROTEIN YJIK

(Escherichia
coli) 		PF06977
(SdiA-regulated) 		4 LEU A 234
GLN A 235
PHE A 238
LEU A 255
 None
 0.91A 2dysC-3qqzA:
undetectable
2dysJ-3qqzA:
undetectable		 2dysC-3qqzA:
22.58
2dysJ-3qqzA:
12.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rbs MYOMESIN-1

(Homo sapiens) 		PF07679
(I-set) 		4 LEU A1320
GLN A1319
PHE A1318
LEU A1269
 None
None
None
NO3  A1449 ( 4.0A)
 1.00A 2dysC-3rbsA:
undetectable
2dysJ-3rbsA:
undetectable		 2dysC-3rbsA:
18.39
2dysJ-3rbsA:
15.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rd5 MYPAA.01249.C

(Mycobacterium
avium) 		PF00106
(adh_short) 		4 ARG A 131
LEU A 191
PHE A 246
LEU A 241
 None
 0.96A 2dysC-3rd5A:
undetectable
2dysJ-3rd5A:
undetectable		 2dysC-3rd5A:
21.79
2dysJ-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) 		5 LYS A 220
LEU A 219
GLN A 263
LEU A 278
PHE A 297
 None
 1.20A 2dysC-3s98A:
undetectable
2dysJ-3s98A:
undetectable		 2dysC-3s98A:
20.62
2dysJ-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
 0.85A 2dysC-3u58A:
undetectable
2dysJ-3u58A:
undetectable		 2dysC-3u58A:
21.88
2dysJ-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
 0.97A 2dysC-3wi3A:
2.6
2dysJ-3wi3A:
undetectable		 2dysC-3wi3A:
18.93
2dysJ-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.
3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME

(Mycolicibacterium
smegmatis) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		4 LEU A1146
GLN A1142
LEU A1184
PHE A1192
 None
MPD  A2228 (-3.2A)
None
None
 1.03A 2dysC-3zhrA:
undetectable
2dysJ-3zhrA:
undetectable		 2dysC-3zhrA:
14.22
2dysJ-3zhrA:
6.02
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.
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
 0.88A 2dysC-4a8eA:
undetectable
2dysJ-4a8eA:
undetectable		 2dysC-4a8eA:
19.68
2dysJ-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
 0.98A 2dysC-4abnA:
3.4
2dysJ-4abnA:
undetectable		 2dysC-4abnA:
19.53
2dysJ-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
 1.02A 2dysC-4aqqA:
undetectable
2dysJ-4aqqA:
undetectable		 2dysC-4aqqA:
19.73
2dysJ-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.
4bju N-ACETYLGLUCOSAMINE-
PHOSPHATE MUTASE

(Aspergillus
fumigatus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		4 LEU A 414
GLN A 415
LEU A 320
PHE A 316
 None
 0.94A 2dysC-4bjuA:
undetectable
2dysJ-4bjuA:
undetectable		 2dysC-4bjuA:
16.94
2dysJ-4bjuA:
9.47
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.
4c0d CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF04054
(Not1) 		4 GLN A2252
PHE A2251
LEU A2196
PHE A2192
 None
 0.93A 2dysC-4c0dA:
2.5
2dysJ-4c0dA:
undetectable		 2dysC-4c0dA:
14.62
2dysJ-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
 0.89A 2dysC-4c0dA:
2.5
2dysJ-4c0dA:
undetectable		 2dysC-4c0dA:
14.62
2dysJ-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.
4cnm TROPHOBLAST
GLYCOPROTEIN

(Homo sapiens) 		PF01462
(LRRNT)
PF01463
(LRRCT)
PF13855
(LRR_8) 		4 LYS A 172
LEU A 175
LEU A 147
PHE A 138
 None
 1.03A 2dysC-4cnmA:
undetectable
2dysJ-4cnmA:
undetectable		 2dysC-4cnmA:
21.14
2dysJ-4cnmA:
12.98
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.
4crs SERINE/THREONINE-PRO
TEIN KINASE N2

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		4 GLN A 728
PHE A 727
LEU A 723
PHE A 709
 None
 0.96A 2dysC-4crsA:
undetectable
2dysJ-4crsA:
undetectable		 2dysC-4crsA:
20.63
2dysJ-4crsA:
12.54