SIMILAR PATTERNS OF AMINO ACIDS FOR 3AG1_C_CHDC271

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.
1fkm PROTEIN (GYP1P)

(Saccharomyces
cerevisiae) 		PF00566
(RabGAP-TBC) 		4 GLN A 603
PHE A 479
LEU A 488
PHE A 492
 None
 1.01A 3ag1C-1fkmA:
0.0
3ag1J-1fkmA:
0.0		 3ag1C-1fkmA:
20.41
3ag1J-1fkmA:
13.64
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.
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
 0.80A 3ag1C-1jkwA:
0.7
3ag1J-1jkwA:
0.0		 3ag1C-1jkwA:
20.52
3ag1J-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.
1kfu M-CALPAIN LARGE
SUBUNIT

(Homo sapiens) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		4 LEU L  45
GLN L  47
PHE L  46
PHE L 131
 None
 1.01A 3ag1C-1kfuL:
0.0
3ag1J-1kfuL:
0.0		 3ag1C-1kfuL:
16.26
3ag1J-1kfuL:
6.33
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.
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
 0.78A 3ag1C-1kkcA:
2.2
3ag1J-1kkcA:
0.0		 3ag1C-1kkcA:
19.93
3ag1J-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
 0.92A 3ag1C-1lnlA:
0.0
3ag1J-1lnlA:
0.0		 3ag1C-1lnlA:
20.98
3ag1J-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
 0.85A 3ag1C-1m33A:
undetectable
3ag1J-1m33A:
0.0		 3ag1C-1m33A:
20.57
3ag1J-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.
1pgr PROTEIN (G-CSF
RECEPTOR)

(Mus musculus) 		no annotation 4 LEU B 187
GLN B 188
LEU B 176
PHE B 174
 None
 0.99A 3ag1C-1pgrB:
undetectable
3ag1J-1pgrB:
0.0		 3ag1C-1pgrB:
19.10
3ag1J-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.
1rj7 ECTODYSPLASIN A

(Homo sapiens) 		PF00229
(TNF) 		4 LEU A 253
GLN A 254
LEU A 293
PHE A 284
 None
 0.87A 3ag1C-1rj7A:
undetectable
3ag1J-1rj7A:
undetectable		 3ag1C-1rj7A:
19.93
3ag1J-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
 0.73A 3ag1C-1rj7A:
undetectable
3ag1J-1rj7A:
undetectable		 3ag1C-1rj7A:
19.93
3ag1J-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.
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
 1.01A 3ag1C-1t9kA:
1.4
3ag1J-1t9kA:
undetectable		 3ag1C-1t9kA:
19.83
3ag1J-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.
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
 0.83A 3ag1C-1u8vA:
3.7
3ag1J-1u8vA:
undetectable		 3ag1C-1u8vA:
19.70
3ag1J-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.
1v8d HYPOTHETICAL PROTEIN
(TT1679)

(Thermus
thermophilus) 		PF04260
(DUF436) 		4 LEU A  55
GLN A  56
LEU A 100
PHE A  66
 None
 0.92A 3ag1C-1v8dA:
undetectable
3ag1J-1v8dA:
undetectable		 3ag1C-1v8dA:
21.82
3ag1J-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.
1vf6 PALS1-ASSOCIATED
TIGHT JUNCTION
PROTEIN

(Homo sapiens) 		PF09045
(L27_2) 		4 LEU A  13
GLN A  14
LEU A  42
PHE A  38
 None
 0.97A 3ag1C-1vf6A:
undetectable
3ag1J-1vf6A:
undetectable		 3ag1C-1vf6A:
14.56
3ag1J-1vf6A:
25.32
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.
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
 0.85A 3ag1C-1y76A:
undetectable
3ag1J-1y76A:
undetectable		 3ag1C-1y76A:
13.03
3ag1J-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.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		4 LEU A 184
PHE A 158
LEU A 176
PHE A 172
 None
 0.87A 3ag1C-1yw6A:
undetectable
3ag1J-1yw6A:
undetectable		 3ag1C-1yw6A:
20.54
3ag1J-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.
2bbk METHYLAMINE
DEHYDROGENASE (HEAVY
SUBUNIT)

(Paracoccus
denitrificans) 		PF06433
(Me-amine-dh_H) 		4 ARG H 119
GLN H 142
PHE H 143
PHE H  66
 None
 0.82A 3ag1C-2bbkH:
undetectable
3ag1J-2bbkH:
undetectable		 3ag1C-2bbkH:
20.44
3ag1J-2bbkH:
10.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.84A 3ag1C-2brtA:
undetectable
3ag1J-2brtA:
undetectable		 3ag1C-2brtA:
19.40
3ag1J-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
 0.98A 3ag1C-2cfmA:
undetectable
3ag1J-2cfmA:
undetectable		 3ag1C-2cfmA:
17.30
3ag1J-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
 1.01A 3ag1C-2fefA:
3.2
3ag1J-2fefA:
undetectable		 3ag1C-2fefA:
23.55
3ag1J-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.
2in3 HYPOTHETICAL PROTEIN

(Nitrosomonas
europaea) 		PF01323
(DSBA) 		4 GLN A 117
PHE A 120
LEU A 133
PHE A 151
 None
 0.96A 3ag1C-2in3A:
undetectable
3ag1J-2in3A:
undetectable		 3ag1C-2in3A:
22.22
3ag1J-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.
2nqi CALPAIN-1 CATALYTIC
SUBUNIT

(Rattus
norvegicus) 		PF00648
(Peptidase_C2) 		4 LEU A  55
GLN A  57
PHE A  56
PHE A 141
 None
 0.96A 3ag1C-2nqiA:
undetectable
3ag1J-2nqiA:
undetectable		 3ag1C-2nqiA:
18.98
3ag1J-2nqiA:
10.85
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.
2o36 THIMET
OLIGOPEPTIDASE

(Homo sapiens) 		PF01432
(Peptidase_M3) 		4 LEU A 564
GLN A 567
LEU A 601
PHE A 598
 None
 0.97A 3ag1C-2o36A:
3.4
3ag1J-2o36A:
undetectable		 3ag1C-2o36A:
17.45
3ag1J-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
 0.76A 3ag1C-2oltA:
5.5
3ag1J-2oltA:
undetectable		 3ag1C-2oltA:
22.38
3ag1J-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
 0.61A 3ag1C-2optA:
3.1
3ag1J-2optA:
undetectable		 3ag1C-2optA:
23.19
3ag1J-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.
2q0x UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF08538
(DUF1749) 		4 LEU A 288
GLN A 289
PHE A 290
LEU A  64
 None
 0.96A 3ag1C-2q0xA:
undetectable
3ag1J-2q0xA:
undetectable		 3ag1C-2q0xA:
23.31
3ag1J-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.
2qv8 GENERAL SECRETION
PATHWAY PROTEIN H

(Vibrio cholerae) 		PF12019
(GspH) 		4 LEU A 177
GLN A 172
LEU A  43
PHE A  39
 None
 0.95A 3ag1C-2qv8A:
undetectable
3ag1J-2qv8A:
undetectable		 3ag1C-2qv8A:
17.74
3ag1J-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
 0.85A 3ag1C-2r4gA:
undetectable
3ag1J-2r4gA:
undetectable		 3ag1C-2r4gA:
19.66
3ag1J-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.
2ree CURA

(Moorea
producens) 		PF00583
(Acetyltransf_1) 		4 LEU A 339
GLN A 340
PHE A 337
LEU A 316
 None
 0.97A 3ag1C-2reeA:
undetectable
3ag1J-2reeA:
undetectable		 3ag1C-2reeA:
20.86
3ag1J-2reeA:
13.36
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.
2wci GLUTAREDOXIN-4

(Escherichia
coli) 		PF00462
(Glutaredoxin) 		4 LEU A  74
GLN A  73
LEU A  40
PHE A  47
 None
 1.01A 3ag1C-2wciA:
undetectable
3ag1J-2wciA:
undetectable		 3ag1C-2wciA:
18.63
3ag1J-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.
3bnw RIBOFLAVIN KINASE,
PUTATIVE

(Trypanosoma
brucei) 		PF01687
(Flavokinase) 		4 LEU A 143
GLN A 144
LEU A 113
PHE A 151
 None
 0.95A 3ag1C-3bnwA:
undetectable
3ag1J-3bnwA:
undetectable		 3ag1C-3bnwA:
21.11
3ag1J-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.
3c75 METHYLAMINE
DEHYDROGENASE HEAVY
CHAIN

(Paracoccus
versutus) 		PF06433
(Me-amine-dh_H) 		4 ARG H 172
GLN H 195
PHE H 196
PHE H 119
 None
 0.75A 3ag1C-3c75H:
undetectable
3ag1J-3c75H:
undetectable		 3ag1C-3c75H:
19.95
3ag1J-3c75H:
7.31
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.
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 3ag1C-3cr8A:
undetectable
3ag1J-3cr8A:
undetectable		 3ag1C-3cr8A:
20.53
3ag1J-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
 0.93A 3ag1C-3d1dA:
undetectable
3ag1J-3d1dA:
undetectable		 3ag1C-3d1dA:
19.47
3ag1J-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
 0.79A 3ag1C-3dqvC:
undetectable
3ag1J-3dqvC:
undetectable		 3ag1C-3dqvC:
20.37
3ag1J-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 3ag1C-3exnA:
undetectable
3ag1J-3exnA:
undetectable		 3ag1C-3exnA:
23.02
3ag1J-3exnA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eyk HEMAGGLUTININ HA1
CHAIN

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 LEU A 118
GLN A  80
PHE A 120
LEU A 112
 None
 0.98A 3ag1C-3eykA:
undetectable
3ag1J-3eykA:
undetectable		 3ag1C-3eykA:
21.21
3ag1J-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.
3f1v DNA POLYMERASE III
SUBUNIT BETA

(Escherichia
coli) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		4 LEU A 306
GLN A 289
LEU A 263
PHE A 267
 None
 0.88A 3ag1C-3f1vA:
undetectable
3ag1J-3f1vA:
undetectable		 3ag1C-3f1vA:
21.20
3ag1J-3f1vA:
9.89
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.
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
 0.61A 3ag1C-3g1zA:
undetectable
3ag1J-3g1zA:
undetectable		 3ag1C-3g1zA:
20.94
3ag1J-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
 0.93A 3ag1C-3gzgA:
undetectable
3ag1J-3gzgA:
undetectable		 3ag1C-3gzgA:
24.09
3ag1J-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.
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
 0.91A 3ag1C-3kt4A:
undetectable
3ag1J-3kt4A:
undetectable		 3ag1C-3kt4A:
18.26
3ag1J-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
 0.97A 3ag1C-3kwpA:
undetectable
3ag1J-3kwpA:
undetectable		 3ag1C-3kwpA:
20.92
3ag1J-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
 0.91A 3ag1C-3l6cA:
undetectable
3ag1J-3l6cA:
undetectable		 3ag1C-3l6cA:
21.73
3ag1J-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.
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)
 0.94A 3ag1C-3mvuA:
3.1
3ag1J-3mvuA:
undetectable		 3ag1C-3mvuA:
20.30
3ag1J-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
 0.51A 3ag1C-3nbuA:
undetectable
3ag1J-3nbuA:
undetectable		 3ag1C-3nbuA:
18.63
3ag1J-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
 0.82A 3ag1C-3ocjA:
undetectable
3ag1J-3ocjA:
undetectable		 3ag1C-3ocjA:
23.24
3ag1J-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
 0.98A 3ag1C-3opbA:
undetectable
3ag1J-3opbA:
undetectable		 3ag1C-3opbA:
14.10
3ag1J-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
 0.95A 3ag1C-3os4A:
undetectable
3ag1J-3os4A:
undetectable		 3ag1C-3os4A:
20.76
3ag1J-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
 0.82A 3ag1C-3pl0A:
undetectable
3ag1J-3pl0A:
undetectable		 3ag1C-3pl0A:
21.36
3ag1J-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.
3q41 GLUTAMATE [NMDA]
RECEPTOR SUBUNIT
ZETA-1

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		4 ARG A 359
LEU A 356
GLN A 357
LEU A 259
 None
 0.94A 3ag1C-3q41A:
undetectable
3ag1J-3q41A:
undetectable		 3ag1C-3q41A:
19.39
3ag1J-3q41A:
14.35
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.
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
 1.01A 3ag1C-3qdeA:
undetectable
3ag1J-3qdeA:
undetectable		 3ag1C-3qdeA:
15.31
3ag1J-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
 1.00A 3ag1C-3qqzA:
undetectable
3ag1J-3qqzA:
undetectable		 3ag1C-3qqzA:
22.58
3ag1J-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.
3rd5 MYPAA.01249.C

(Mycobacterium
avium) 		PF00106
(adh_short) 		4 ARG A 131
LEU A 191
PHE A 246
LEU A 241
 None
 0.91A 3ag1C-3rd5A:
undetectable
3ag1J-3rd5A:
undetectable		 3ag1C-3rd5A:
21.79
3ag1J-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.
3tgv HEME-BINDING PROTEIN
HUTZ

(Vibrio cholerae) 		PF01243
(Putative_PNPOx) 		4 LEU A 138
GLN A 139
LEU A  28
PHE A  46
 None
 0.94A 3ag1C-3tgvA:
undetectable
3ag1J-3tgvA:
undetectable		 3ag1C-3tgvA:
20.08
3ag1J-3tgvA:
14.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uit INAD-LIKE PROTEIN,
MAGUK P55 SUBFAMILY
MEMBER 5, PROTEIN
LIN-7 HOMOLOG B

(Homo sapiens;
Mus musculus;
Rattus
norvegicus) 		PF02828
(L27)
PF09045
(L27_2)
PF09060
(L27_N) 		4 LEU A  13
GLN A  14
LEU A  42
PHE A  38
 None
 0.95A 3ag1C-3uitA:
undetectable
3ag1J-3uitA:
undetectable		 3ag1C-3uitA:
21.99
3ag1J-3uitA:
13.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3ag1C-4a8eA:
undetectable
3ag1J-4a8eA:
undetectable		 3ag1C-4a8eA:
19.68
3ag1J-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.
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
 0.86A 3ag1C-4bjuA:
undetectable
3ag1J-4bjuA:
undetectable		 3ag1C-4bjuA:
16.94
3ag1J-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
 0.94A 3ag1C-4c0dA:
3.0
3ag1J-4c0dA:
undetectable		 3ag1C-4c0dA:
14.62
3ag1J-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
 0.85A 3ag1C-4c0dA:
3.0
3ag1J-4c0dA:
undetectable		 3ag1C-4c0dA:
14.62
3ag1J-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.
4dks PROBABLE INTEGRASE

(Sulfolobus
spindle-shaped
virus 1) 		PF16795
(Phage_integr_3) 		4 LEU A 188
GLN A 189
LEU A 206
PHE A 283
 None
 1.01A 3ag1C-4dksA:
undetectable
3ag1J-4dksA:
undetectable		 3ag1C-4dksA:
21.29
3ag1J-4dksA:
17.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dvy CYTOTOXICITY-ASSOCIA
TED IMMUNODOMINANT
ANTIGEN

(Helicobacter
pylori) 		no annotation 4 LEU P  30
GLN P  31
PHE P  34
PHE P 219
 None
 0.99A 3ag1C-4dvyP:
undetectable
3ag1J-4dvyP:
undetectable		 3ag1C-4dvyP:
13.39
3ag1J-4dvyP:
5.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eq5 DNA LIGASE

(Thermococcus
sibiricus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 LEU A 534
GLN A 523
PHE A 532
LEU A 440
 None
 0.86A 3ag1C-4eq5A:
undetectable
3ag1J-4eq5A:
undetectable		 3ag1C-4eq5A:
16.64
3ag1J-4eq5A:
9.26
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.
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)
 0.91A 3ag1C-4flxA:
2.5
3ag1J-4flxA:
undetectable		 3ag1C-4flxA:
13.49
3ag1J-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.
4fqn MALCAVERNIN

(Homo sapiens) 		PF16545
(CCM2_C) 		5 ARG A 354
LEU A 351
PHE A 348
LEU A 369
PHE A 365
 None
 1.47A 3ag1C-4fqnA:
undetectable
3ag1J-4fqnA:
undetectable		 3ag1C-4fqnA:
14.18
3ag1J-4fqnA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hdo KREV INTERACTION
TRAPPED PROTEIN 1

(Homo sapiens) 		PF00373
(FERM_M) 		4 LEU A 621
GLN A 622
PHE A 625
LEU A 608
 None
 0.97A 3ag1C-4hdoA:
undetectable
3ag1J-4hdoA:
undetectable		 3ag1C-4hdoA:
20.67
3ag1J-4hdoA:
14.62
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.
4i2w PROTEIN UNC-45

(Caenorhabditis
elegans) 		PF11701
(UNC45-central) 		4 LEU A 373
GLN A 374
LEU A 347
PHE A 420
 None
 0.89A 3ag1C-4i2wA:
undetectable
3ag1J-4i2wA:
undetectable		 3ag1C-4i2wA:
14.04
3ag1J-4i2wA:
5.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j0m SERINE/THREONINE-PRO
TEIN KINASE
BRI1-LIKE 1

(Arabidopsis
thaliana) 		PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 LEU A 228
PHE A 230
LEU A 203
PHE A 199
 None
 0.97A 3ag1C-4j0mA:
undetectable
3ag1J-4j0mA:
undetectable		 3ag1C-4j0mA:
16.01
3ag1J-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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		4 LEU A 412
GLN A 413
LEU A 378
PHE A 374
 None
 0.94A 3ag1C-4kriA:
undetectable
3ag1J-4kriA:
undetectable		 3ag1C-4kriA:
21.21
3ag1J-4kriA:
9.28
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.
4kss TYPE II SECRETION
SYSTEM PROTEIN E,
HEMOLYSIN-COREGULATE
D PROTEIN

(Pseudomonas
aeruginosa;
Vibrio cholerae) 		PF00437
(T2SSE)
PF05638
(T6SS_HCP) 		4 LEU A 611
GLN A 590
LEU A 636
PHE A 567
 None
 1.01A 3ag1C-4kssA:
undetectable
3ag1J-4kssA:
undetectable		 3ag1C-4kssA:
16.64
3ag1J-4kssA:
7.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.01A 3ag1C-4ma5A:
undetectable
3ag1J-4ma5A:
undetectable		 3ag1C-4ma5A:
22.16
3ag1J-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.
4o4f INOSITOL
HEXAKISPHOSPHATE
KINASE

(Entamoeba
histolytica) 		PF03770
(IPK) 		4 LEU A 191
GLN A 190
PHE A 187
LEU A 256
 None
 0.80A 3ag1C-4o4fA:
2.0
3ag1J-4o4fA:
undetectable		 3ag1C-4o4fA:
21.40
3ag1J-4o4fA:
15.34
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.
4oya ADENYLATE CYCLASE
TYPE 10

(Homo sapiens) 		PF00211
(Guanylate_cyc) 		4 GLN A 375
PHE A 372
LEU A 299
PHE A 301
 None
 0.98A 3ag1C-4oyaA:
undetectable
3ag1J-4oyaA:
undetectable		 3ag1C-4oyaA:
19.62
3ag1J-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.
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		4 ARG A 296
LEU A 506
PHE A 508
LEU A 503
 None
 0.89A 3ag1C-4pfwA:
undetectable
3ag1J-4pfwA:
undetectable		 3ag1C-4pfwA:
19.14
3ag1J-4pfwA:
6.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica) 		PF13407
(Peripla_BP_4) 		4 LEU A  31
GLN A  69
LEU A  42
PHE A  38
 None
None
None
INS  A 401 (-4.5A)
 1.01A 3ag1C-4rxmA:
undetectable
3ag1J-4rxmA:
undetectable		 3ag1C-4rxmA:
20.81
3ag1J-4rxmA:
14.50
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.
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
 1.01A 3ag1C-4ud4A:
undetectable
3ag1J-4ud4A:
undetectable		 3ag1C-4ud4A:
19.95
3ag1J-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.
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		4 LEU A 334
GLN A 335
LEU A 503
PHE A 499
 None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
 0.81A 3ag1C-4wn9A:
undetectable
3ag1J-4wn9A:
undetectable		 3ag1C-4wn9A:
17.15
3ag1J-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
 0.84A 3ag1C-4x00A:
undetectable
3ag1J-4x00A:
undetectable		 3ag1C-4x00A:
21.50
3ag1J-4x00A:
12.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x3h ACTIVITY-REGULATED
CYTOSKELETON-ASSOCIA
TED PROTEIN

(Rattus
norvegicus) 		no annotation 4 LEU A 272
GLN A 273
LEU A 221
PHE A 220
 None
 0.95A 3ag1C-4x3hA:
undetectable
3ag1J-4x3hA:
undetectable		 3ag1C-4x3hA:
15.00
3ag1J-4x3hA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgt FRQ-INTERACTING RNA
HELICASE

(Neurospora
crassa) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF08148
(DSHCT)
PF13234
(rRNA_proc-arch) 		4 LEU A 524
GLN A 526
PHE A 525
LEU A 502
 None
 0.86A 3ag1C-4xgtA:
undetectable
3ag1J-4xgtA:
undetectable		 3ag1C-4xgtA:
12.69
3ag1J-4xgtA:
6.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y99 TROPONIN T, CARDIAC
MUSCLE
TROPONIN I, CARDIAC
MUSCLE

(Homo sapiens;
Homo sapiens) 		PF00992
(Troponin)
PF00992
(Troponin)
PF11636
(Troponin-I_N) 		4 ARG C 111
LEU B 250
GLN B 251
PHE B 254
 None
 0.88A 3ag1C-4y99C:
undetectable
3ag1J-4y99C:
2.9		 3ag1C-4y99C:
15.15
3ag1J-4y99C:
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.
4z61 PHYTOSULFOKINE
RECEPTOR 1

(Daucus carota) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		4 LEU A 229
GLN A 228
PHE A 227
LEU A 211
 None
 0.94A 3ag1C-4z61A:
undetectable
3ag1J-4z61A:
undetectable		 3ag1C-4z61A:
16.59
3ag1J-4z61A:
5.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c4y PUTATIVE
TRANSCRIPTION
REGULATOR LMO0852

(Listeria
monocytogenes) 		PF00440
(TetR_N) 		4 LEU A  79
GLN A  80
PHE A  83
LEU A 133
 None
 0.83A 3ag1C-5c4yA:
2.2
3ag1J-5c4yA:
undetectable		 3ag1C-5c4yA:
23.66
3ag1J-5c4yA:
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.
5c7m E3 UBIQUITIN-PROTEIN
LIGASE ITCHY HOMOLOG

(Homo sapiens) 		PF00632
(HECT) 		4 LEU A 649
PHE A 650
LEU A 781
PHE A 773
 None
 1.00A 3ag1C-5c7mA:
undetectable
3ag1J-5c7mA:
undetectable		 3ag1C-5c7mA:
19.45
3ag1J-5c7mA:
8.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c9h TELOMERASE REVERSE
TRANSCRIPTASE

(Tetrahymena
thermophila) 		PF12009
(Telomerase_RBD) 		4 GLN A 382
PHE A 379
LEU A 405
PHE A 401
 None
 0.68A 3ag1C-5c9hA:
undetectable
3ag1J-5c9hA:
undetectable		 3ag1C-5c9hA:
18.61
3ag1J-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.
5d0f UNCHARACTERIZED
PROTEIN

([Candida]
glabrata) 		PF06202
(GDE_C)
PF14699
(hGDE_N)
PF14701
(hDGE_amylase)
PF14702
(hGDE_central) 		4 LEU A1278
GLN A1279
PHE A1276
LEU A1301
 None
 0.71A 3ag1C-5d0fA:
undetectable
3ag1J-5d0fA:
undetectable		 3ag1C-5d0fA:
10.41
3ag1J-5d0fA:
3.39
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.
5d68 KREV INTERACTION
TRAPPED PROTEIN 1

(Homo sapiens) 		PF00373
(FERM_M)
PF13857
(Ank_5) 		4 LEU A 621
GLN A 622
PHE A 625
LEU A 608
 None
 1.01A 3ag1C-5d68A:
undetectable
3ag1J-5d68A:
undetectable		 3ag1C-5d68A:
19.57
3ag1J-5d68A:
8.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5du9 CDA PEPTIDE
SYNTHETASE I

(Streptomyces
coelicolor) 		PF00668
(Condensation) 		4 LEU A 423
GLN A 424
PHE A 427
LEU A 229
 None
 0.79A 3ag1C-5du9A:
undetectable
3ag1J-5du9A:
undetectable		 3ag1C-5du9A:
20.97
3ag1J-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.
5e02 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
 0.98A 3ag1C-5e02A:
undetectable
3ag1J-5e02A:
undetectable		 3ag1C-5e02A:
12.20
3ag1J-5e02A:
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.
5fmg PROTEASOME SUBUNIT
ALPHA TYPE 2,
PUTATIVE

(Plasmodium
falciparum) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		4 LEU B 134
GLN B 148
LEU B  86
PHE B 130
 None
 0.98A 3ag1C-5fmgB:
undetectable
3ag1J-5fmgB:
undetectable		 3ag1C-5fmgB:
18.82
3ag1J-5fmgB:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fn3 PRESENILIN-1

(Homo sapiens) 		PF01080
(Presenilin) 		4 LEU B 392
PHE B 388
LEU B 443
PHE B 447
 None
 0.97A 3ag1C-5fn3B:
2.1
3ag1J-5fn3B:
undetectable		 3ag1C-5fn3B:
20.04
3ag1J-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.
5fu6 CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 3

(Homo sapiens) 		PF04153
(NOT2_3_5) 		4 LEU C 671
PHE C 673
LEU C 666
PHE C 662
 None
 0.97A 3ag1C-5fu6C:
undetectable
3ag1J-5fu6C:
undetectable		 3ag1C-5fu6C:
18.59
3ag1J-5fu6C:
16.79
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.
5fu7 CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF04054
(Not1) 		4 LEU A1975
GLN A1976
LEU A2026
PHE A2034
 None
 1.01A 3ag1C-5fu7A:
2.8
3ag1J-5fu7A:
undetectable		 3ag1C-5fu7A:
18.30
3ag1J-5fu7A:
7.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g4q DNA POLYMERASE III
SUBUNIT BETA

(Helicobacter
pylori) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		4 LEU A 183
GLN A 182
LEU A 134
PHE A 138
 None
 0.70A 3ag1C-5g4qA:
undetectable
3ag1J-5g4qA:
undetectable		 3ag1C-5g4qA:
20.21
3ag1J-5g4qA:
9.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3ag1C-5gsmA:
undetectable
3ag1J-5gsmA:
undetectable		 3ag1C-5gsmA:
16.50
3ag1J-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
 0.25A 3ag1C-5iy5C:
36.5
3ag1J-5iy5C:
undetectable		 3ag1C-5iy5C:
100.00
3ag1J-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.
5l94 CYTOCHROME P450

(Bacillus
megaterium) 		PF00067
(p450) 		4 LEU A 227
GLN A 226
LEU A 217
PHE A 235
 None
 0.98A 3ag1C-5l94A:
undetectable
3ag1J-5l94A:
undetectable		 3ag1C-5l94A:
19.00
3ag1J-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.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		4 ARG A 660
LEU A 661
GLN A 662
LEU A 547
 None
 0.88A 3ag1C-5td7A:
undetectable
3ag1J-5td7A:
undetectable		 3ag1C-5td7A:
17.28
3ag1J-5td7A:
6.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ufl PROTEIN CIP2A

(Homo sapiens) 		no annotation 4 LEU A 237
GLN A 236
PHE A 239
LEU A 209
 None
 0.84A 3ag1C-5uflA:
undetectable
3ag1J-5uflA:
undetectable		 3ag1C-5uflA:
19.09
3ag1J-5uflA:
6.95
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.
5viq MONOMERIC
NEAR-INFRARED
FLUORESCENT PROTEIN
MIRFP709

(Rhodopseudomonas
palustris) 		PF01590
(GAF)
PF08446
(PAS_2) 		4 LEU A 255
GLN A 256
PHE A 257
LEU A 218
 None
None
BLA  A 401 (-4.3A)
None
 0.96A 3ag1C-5viqA:
undetectable
3ag1J-5viqA:
undetectable		 3ag1C-5viqA:
19.88
3ag1J-5viqA:
12.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vl3 B-CELL RECEPTOR CD22

(Homo sapiens) 		no annotation 4 LEU Q 163
GLN Q 164
PHE Q 199
LEU Q 174
 None
 1.01A 3ag1C-5vl3Q:
undetectable
3ag1J-5vl3Q:
undetectable		 3ag1C-5vl3Q:
21.85
3ag1J-5vl3Q:
10.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vni PROTEIN TRANSPORT
PROTEIN SEC24A

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 LEU B 399
GLN B 397
LEU B 831
PHE B 835
 None
 0.99A 3ag1C-5vniB:
undetectable
3ag1J-5vniB:
undetectable		 3ag1C-5vniB:
15.19
3ag1J-5vniB:
5.75