SIMILAR PATTERNS OF AMINO ACIDS FOR 3AG4_C_CHDC271_0

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1914 SIGNAL RECOGNITION
PARTICLE 9/14 FUSION
PROTEIN

(Mus musculus) 		PF02290
(SRP14)
PF05486
(SRP9-21) 		4 LEU A2086
PHE A2017
LEU A2013
PHE A2009
 None
 0.84A 3ag4C-1914A:
undetectable
3ag4J-1914A:
undetectable		 3ag4C-1914A:
19.40
3ag4J-1914A:
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.
1buc BUTYRYL-COA
DEHYDROGENASE

(Megasphaera
elsdenii) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ARG A  31
LEU A  41
PHE A  19
LEU A  24
 None
 0.93A 3ag4C-1bucA:
1.8
3ag4J-1bucA:
0.0		 3ag4C-1bucA:
17.69
3ag4J-1bucA:
11.04
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.
1dj3 ADENYLOSUCCINATE
SYNTHETASE

(Triticum
aestivum) 		PF00709
(Adenylsucc_synt) 		4 LEU A 164
PHE A 175
LEU A 179
PHE A 183
 None
 0.67A 3ag4C-1dj3A:
undetectable
3ag4J-1dj3A:
undetectable		 3ag4C-1dj3A:
19.00
3ag4J-1dj3A:
9.50
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.
1hkk CHITOTRIOSIDASE-1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 LEU A  66
GLN A  65
LEU A  94
PHE A 132
 None
 0.93A 3ag4C-1hkkA:
undetectable
3ag4J-1hkkA:
0.0		 3ag4C-1hkkA:
21.66
3ag4J-1hkkA:
12.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jkw CYCLIN H

(Homo sapiens) 		PF00134
(Cyclin_N)
PF16899
(Cyclin_C_2) 		4 ARG A 102
LEU A 106
PHE A 110
LEU A 129
 None
 0.86A 3ag4C-1jkwA:
undetectable
3ag4J-1jkwA:
0.0		 3ag4C-1jkwA:
20.52
3ag4J-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.
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
 0.84A 3ag4C-1kkcA:
2.2
3ag4J-1kkcA:
0.0		 3ag4C-1kkcA:
19.93
3ag4J-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.
1kl7 THREONINE SYNTHASE

(Saccharomyces
cerevisiae) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		4 LEU A  83
PHE A 130
LEU A 134
PHE A 138
 None
 0.74A 3ag4C-1kl7A:
undetectable
3ag4J-1kl7A:
0.0		 3ag4C-1kl7A:
21.24
3ag4J-1kl7A:
8.44
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.
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 3ag4C-1lnlA:
0.4
3ag4J-1lnlA:
0.0		 3ag4C-1lnlA:
20.98
3ag4J-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.
1ovl ORPHAN NUCLEAR
RECEPTOR NURR1 (MSE
496, 511)

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 LEU B 570
GLN B 571
PHE B 574
PHE B 592
 None
 0.62A 3ag4C-1ovlB:
undetectable
3ag4J-1ovlB:
0.0		 3ag4C-1ovlB:
19.94
3ag4J-1ovlB:
11.79
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.
1snx TYROSINE-PROTEIN
KINASE ITK/TSK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 418
GLN A 420
PHE A 501
LEU A 473
 None
 0.81A 3ag4C-1snxA:
undetectable
3ag4J-1snxA:
undetectable		 3ag4C-1snxA:
19.44
3ag4J-1snxA:
16.92
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.
1svr SEVERIN

(Dictyostelium
discoideum) 		PF00626
(Gelsolin) 		4 GLN A 200
PHE A 201
PHE A 245
LEU A 249
 None
 0.84A 3ag4C-1svrA:
undetectable
3ag4J-1svrA:
undetectable		 3ag4C-1svrA:
17.37
3ag4J-1svrA:
26.15
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.
1v8d HYPOTHETICAL PROTEIN
(TT1679)

(Thermus
thermophilus) 		PF04260
(DUF436) 		4 LEU A  55
GLN A  56
LEU A 100
PHE A  66
 None
 0.89A 3ag4C-1v8dA:
undetectable
3ag4J-1v8dA:
undetectable		 3ag4C-1v8dA:
21.82
3ag4J-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.
1vku ACYL CARRIER PROTEIN

(Thermotoga
maritima) 		PF00550
(PP-binding) 		4 LEU A  70
PHE A  48
LEU A  44
PHE A  36
 None
 0.87A 3ag4C-1vkuA:
undetectable
3ag4J-1vkuA:
undetectable		 3ag4C-1vkuA:
13.64
3ag4J-1vkuA:
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.
1w9c CRM1 PROTEIN

(Homo sapiens) 		PF08767
(CRM1_C) 		4 LEU A1001
PHE A1011
LEU A1015
PHE A1018
 None
 0.87A 3ag4C-1w9cA:
2.3
3ag4J-1w9cA:
undetectable		 3ag4C-1w9cA:
22.90
3ag4J-1w9cA:
13.73
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.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 LEU A  66
GLN A  65
LEU A  94
PHE A 132
 None
 0.86A 3ag4C-1wb0A:
undetectable
3ag4J-1wb0A:
undetectable		 3ag4C-1wb0A:
19.69
3ag4J-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.
1xho CHORISMATE MUTASE

(Ruminiclostridium
thermocellum) 		PF07736
(CM_1) 		4 ARG A  62
GLN A  24
PHE A  46
LEU A  71
 None
 0.82A 3ag4C-1xhoA:
undetectable
3ag4J-1xhoA:
undetectable		 3ag4C-1xhoA:
17.72
3ag4J-1xhoA:
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.
1zes PHOSPHATE REGULON
TRANSCRIPTIONAL
REGULATORY PROTEIN
PHOB

(Escherichia
coli) 		PF00072
(Response_reg) 		4 LEU A  42
GLN A  41
PHE A  64
LEU A  68
 None
 0.85A 3ag4C-1zesA:
undetectable
3ag4J-1zesA:
undetectable		 3ag4C-1zesA:
16.80
3ag4J-1zesA:
20.16
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.
2buk COAT PROTEIN

(unidentified
tobacco
necrosis virus) 		PF03898
(TNV_CP) 		4 LEU A 174
GLN A  45
PHE A 172
PHE A  90
 None
 0.84A 3ag4C-2bukA:
undetectable
3ag4J-2bukA:
undetectable		 3ag4C-2bukA:
21.37
3ag4J-2bukA:
15.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dpy FLAGELLUM-SPECIFIC
ATP SYNTHASE

(Salmonella
enterica) 		PF00006
(ATP-synt_ab) 		4 LEU A 428
PHE A 431
PHE A 391
LEU A 395
 None
 0.90A 3ag4C-2dpyA:
undetectable
3ag4J-2dpyA:
undetectable		 3ag4C-2dpyA:
20.50
3ag4J-2dpyA:
7.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fnu AMINOTRANSFERASE

(Helicobacter
pylori) 		PF01041
(DegT_DnrJ_EryC1) 		4 LEU A 243
GLN A 242
PHE A  37
LEU A  41
 None
 0.84A 3ag4C-2fnuA:
undetectable
3ag4J-2fnuA:
undetectable		 3ag4C-2fnuA:
20.38
3ag4J-2fnuA:
10.68
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.
2haj DNA PRIMASE

(Escherichia
coli) 		PF08278
(DnaG_DnaB_bind) 		4 LEU A 454
PHE A 535
LEU A 539
PHE A 543
 None
 0.78A 3ag4C-2hajA:
undetectable
3ag4J-2hajA:
undetectable		 3ag4C-2hajA:
19.01
3ag4J-2hajA:
16.89
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.
2ibd POSSIBLE
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N) 		4 LEU A 131
PHE A 135
PHE A  74
LEU A  70
 None
 0.88A 3ag4C-2ibdA:
undetectable
3ag4J-2ibdA:
undetectable		 3ag4C-2ibdA:
24.73
3ag4J-2ibdA:
12.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nt8 COBALAMIN
ADENOSYLTRANSFERASE

(Lactobacillus
reuteri) 		PF01923
(Cob_adeno_trans) 		4 LEU A  95
PHE A 154
LEU A 158
PHE A 162
 None
 0.81A 3ag4C-2nt8A:
2.7
3ag4J-2nt8A:
undetectable		 3ag4C-2nt8A:
21.30
3ag4J-2nt8A:
12.11
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.
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
 0.67A 3ag4C-2optA:
3.1
3ag4J-2optA:
undetectable		 3ag4C-2optA:
23.19
3ag4J-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.
2p1n SKP1-LIKE PROTEIN 1A
TRANSPORT INHIBITOR
RESPONSE 1 PROTEIN

(Arabidopsis
thaliana;
Arabidopsis
thaliana) 		PF01466
(Skp1)
PF03931
(Skp1_POZ)
PF12937
(F-box-like) 		4 PHE A  99
PHE B   9
LEU B  14
PHE B  18
 None
 0.86A 3ag4C-2p1nA:
undetectable
3ag4J-2p1nA:
undetectable		 3ag4C-2p1nA:
18.58
3ag4J-2p1nA:
23.02
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.
2riu 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE

(Candida
albicans) 		PF00926
(DHBP_synthase) 		4 LEU A 113
PHE A  93
PHE A 123
LEU A  70
 None
 0.93A 3ag4C-2riuA:
undetectable
3ag4J-2riuA:
undetectable		 3ag4C-2riuA:
21.66
3ag4J-2riuA:
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.
2xt6 2-OXOGLUTARATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00198
(2-oxoacid_dh)
PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		4 LEU A1146
GLN A1142
PHE A1180
LEU A1184
 None
 0.94A 3ag4C-2xt6A:
undetectable
3ag4J-2xt6A:
undetectable		 3ag4C-2xt6A:
12.79
3ag4J-2xt6A:
4.88
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.
3ba3 PYRIDOXAMINE
5'-PHOSPHATE
OXIDASE-LIKE PROTEIN

(Lactobacillus
plantarum) 		no annotation 5 LEU A 123
GLN A  87
PHE A 121
PHE A  45
LEU A  18
 None
 0.98A 3ag4C-3ba3A:
undetectable
3ag4J-3ba3A:
undetectable		 3ag4C-3ba3A:
21.19
3ag4J-3ba3A:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dqv CULLIN-5

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		4 LEU C1600
GLN C1599
PHE C1598
LEU C1551
 None
 0.86A 3ag4C-3dqvC:
undetectable
3ag4J-3dqvC:
undetectable		 3ag4C-3dqvC:
20.37
3ag4J-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.
3g1z PUTATIVE LYSYL-TRNA
SYNTHETASE

(Salmonella
enterica) 		PF00152
(tRNA-synt_2) 		5 ARG A 188
LEU A 192
GLN A 193
PHE A 196
PHE A 153
 None
 0.93A 3ag4C-3g1zA:
undetectable
3ag4J-3g1zA:
undetectable		 3ag4C-3g1zA:
20.94
3ag4J-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.
3gaj COBALAMIN
ADENOSYLTRANSFERASE
PDUO-LIKE PROTEIN

(Lactobacillus
reuteri) 		PF01923
(Cob_adeno_trans) 		4 LEU A  95
PHE A 154
LEU A 158
PHE A 162
 None
 0.81A 3ag4C-3gajA:
2.7
3ag4J-3gajA:
undetectable		 3ag4C-3gajA:
21.16
3ag4J-3gajA:
14.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gkj NIEMANN-PICK C1
PROTEIN

(Homo sapiens) 		PF16414
(NPC1_N) 		4 LEU A  87
GLN A  88
PHE A 101
LEU A 105
 None
 0.93A 3ag4C-3gkjA:
undetectable
3ag4J-3gkjA:
undetectable		 3ag4C-3gkjA:
19.23
3ag4J-3gkjA:
12.07
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.
3hjr EXTRACELLULAR SERINE
PROTEASE

(Aeromonas
sobria) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		4 LEU A 196
GLN A 193
PHE A 200
LEU A 162
 None
 0.90A 3ag4C-3hjrA:
undetectable
3ag4J-3hjrA:
undetectable		 3ag4C-3hjrA:
17.67
3ag4J-3hjrA:
6.00
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.
3iv0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 LEU A 230
PHE A 151
LEU A 155
PHE A 159
 None
 0.88A 3ag4C-3iv0A:
1.8
3ag4J-3iv0A:
undetectable		 3ag4C-3iv0A:
20.57
3ag4J-3iv0A:
8.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jd8 NIEMANN-PICK C1
PROTEIN

(Homo sapiens) 		PF02460
(Patched)
PF12349
(Sterol-sensing)
PF16414
(NPC1_N) 		4 LEU A  87
GLN A  88
PHE A 101
LEU A 105
 None
NAG  A1305 (-2.9A)
None
None
 0.94A 3ag4C-3jd8A:
3.6
3ag4J-3jd8A:
undetectable		 3ag4C-3jd8A:
10.18
3ag4J-3jd8A:
4.75
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.
3k6x SOLUTE-BINDING
PROTEIN MA_0280

(Methanosarcina
acetivorans) 		PF13531
(SBP_bac_11) 		4 LEU A  58
PHE A 311
LEU A 315
PHE A 118
 None
 0.91A 3ag4C-3k6xA:
undetectable
3ag4J-3k6xA:
undetectable		 3ag4C-3k6xA:
20.87
3ag4J-3k6xA:
12.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l6c SERINE RACEMASE

(Rattus
norvegicus) 		PF00291
(PALP) 		4 LEU A 171
GLN A 173
LEU A 200
PHE A   9
 None
 0.90A 3ag4C-3l6cA:
undetectable
3ag4J-3l6cA:
undetectable		 3ag4C-3l6cA:
21.73
3ag4J-3l6cA:
12.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lcr TAUTOMYCETIN
BIOSYNTHETIC PKS

(Streptomyces
sp. CK4412) 		PF00975
(Thioesterase) 		4 LEU A 229
PHE A 174
LEU A 178
PHE A 182
 None
 0.88A 3ag4C-3lcrA:
undetectable
3ag4J-3lcrA:
undetectable		 3ag4C-3lcrA:
20.45
3ag4J-3lcrA:
9.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF00342
(PGI) 		4 LEU A  15
GLN A  16
PHE A  19
LEU A  66
 None
 0.64A 3ag4C-3nbuA:
undetectable
3ag4J-3nbuA:
undetectable		 3ag4C-3nbuA:
18.63
3ag4J-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.
3nj2 DUF269-CONTAINING
PROTEIN

(Cyanothece sp.
ATCC 51142) 		PF03270
(DUF269) 		5 LEU A  40
GLN A  43
PHE A  36
LEU A 150
PHE A 144
 None
 1.40A 3ag4C-3nj2A:
undetectable
3ag4J-3nj2A:
undetectable		 3ag4C-3nj2A:
20.45
3ag4J-3nj2A:
16.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.90A 3ag4C-3ocjA:
undetectable
3ag4J-3ocjA:
undetectable		 3ag4C-3ocjA:
23.24
3ag4J-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.
3ogr BETA-GALACTOSIDASE

(Trichoderma
reesei) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 PHE A 327
PHE A 299
LEU A 296
PHE A 294
 None
 0.94A 3ag4C-3ogrA:
undetectable
3ag4J-3ogrA:
undetectable		 3ag4C-3ogrA:
14.48
3ag4J-3ogrA:
4.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oqq PUTATIVE LIPOPROTEIN

(Bacteroides
ovatus) 		PF16129
(DUF4841)
PF16130
(DUF4842) 		4 LEU A 214
PHE A 152
PHE A 173
LEU A 201
 None
 0.90A 3ag4C-3oqqA:
undetectable
3ag4J-3oqqA:
undetectable		 3ag4C-3oqqA:
20.13
3ag4J-3oqqA:
10.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wvr PGM1

(Streptomyces
cirratus) 		no annotation 4 LEU A 119
PHE A  95
LEU A  91
PHE A  87
 None
 0.93A 3ag4C-3wvrA:
undetectable
3ag4J-3wvrA:
undetectable		 3ag4C-3wvrA:
19.19
3ag4J-3wvrA:
9.31
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.
3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME

(Mycolicibacterium
smegmatis) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		4 LEU A1146
GLN A1142
PHE A1180
LEU A1184
 None
MPD  A2228 (-3.2A)
None
None
 0.92A 3ag4C-3zhrA:
undetectable
3ag4J-3zhrA:
undetectable		 3ag4C-3zhrA:
14.22
3ag4J-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.
4c0d CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF04054
(Not1) 		4 GLN A2252
PHE A2251
LEU A2196
PHE A2192
 None
 0.91A 3ag4C-4c0dA:
2.5
3ag4J-4c0dA:
undetectable		 3ag4C-4c0dA:
14.62
3ag4J-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.
4c8q DNA TOPOISOMERASE
2-ASSOCIATED PROTEIN
PAT1

(Saccharomyces
cerevisiae) 		PF09770
(PAT1) 		4 LEU H 562
PHE H 587
LEU H 527
PHE H 523
 None
 0.73A 3ag4C-4c8qH:
undetectable
3ag4J-4c8qH:
undetectable		 3ag4C-4c8qH:
19.40
3ag4J-4c8qH:
9.88
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.
4e1o HISTIDINE
DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 LEU A 290
PHE A 289
PHE A 281
PHE A 133
 None
 0.94A 3ag4C-4e1oA:
undetectable
3ag4J-4e1oA:
undetectable		 3ag4C-4e1oA:
19.80
3ag4J-4e1oA:
8.62
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.
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)
 0.90A 3ag4C-4flxA:
2.6
3ag4J-4flxA:
undetectable		 3ag4C-4flxA:
13.49
3ag4J-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.
4fqg TRANSCRIPTION
ELONGATION REGULATOR
1

(Homo sapiens) 		PF01846
(FF) 		4 LEU A 160
GLN A 161
PHE A 128
LEU A 132
 None
 0.79A 3ag4C-4fqgA:
undetectable
3ag4J-4fqgA:
undetectable		 3ag4C-4fqgA:
18.08
3ag4J-4fqgA:
16.13
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.
4hqf THROMBOSPONDIN-RELAT
ED ANONYMOUS
PROTEIN, TRAP

(Plasmodium
falciparum) 		PF00092
(VWA) 		5 ARG A 176
LEU A 172
GLN A 169
PHE A 198
LEU A 202
 None
 1.21A 3ag4C-4hqfA:
undetectable
3ag4J-4hqfA:
undetectable		 3ag4C-4hqfA:
20.74
3ag4J-4hqfA:
10.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i1a RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE I

(Bacillus
subtilis) 		PF13424
(TPR_12) 		4 GLN A 276
PHE A 312
LEU A 308
PHE A 267
 None
 0.93A 3ag4C-4i1aA:
2.9
3ag4J-4i1aA:
undetectable		 3ag4C-4i1aA:
22.11
3ag4J-4i1aA:
8.79
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.
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 3ag4C-4i2wA:
2.3
3ag4J-4i2wA:
undetectable		 3ag4C-4i2wA:
14.04
3ag4J-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.
4jgv NUCLEAR RECEPTOR
SUBFAMILY 4 GROUP A
MEMBER 1

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 LEU A 570
GLN A 571
PHE A 574
PHE A 592
 None
GOL  A 605 ( 4.0A)
None
None
 0.86A 3ag4C-4jgvA:
undetectable
3ag4J-4jgvA:
undetectable		 3ag4C-4jgvA:
21.99
3ag4J-4jgvA:
13.93
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.
4l4u TRANSCRIPTIONAL
REGULATOR (NTRC
FAMILY)

(Aquifex
aeolicus) 		PF00072
(Response_reg)
PF00158
(Sigma54_activat) 		4 LEU A 194
PHE A 204
LEU A 208
PHE A 227
 None
 0.87A 3ag4C-4l4uA:
undetectable
3ag4J-4l4uA:
undetectable		 3ag4C-4l4uA:
18.32
3ag4J-4l4uA:
10.10
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.
4lgc BILE ACID-COENZYME A
LIGASE

([Clostridium]
scindens) 		PF00501
(AMP-binding) 		4 LEU A  36
GLN A  35
PHE A 103
LEU A  66
 None
 0.84A 3ag4C-4lgcA:
undetectable
3ag4J-4lgcA:
undetectable		 3ag4C-4lgcA:
18.48
3ag4J-4lgcA:
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.
4oca UDP-4-AMINO-4-DEOXY-
L-ARABINOSE--OXOGLUT
ARATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF01041
(DegT_DnrJ_EryC1) 		4 LEU A 256
GLN A 255
PHE A  48
LEU A  51
 None
 0.87A 3ag4C-4ocaA:
undetectable
3ag4J-4ocaA:
undetectable		 3ag4C-4ocaA:
21.12
3ag4J-4ocaA:
10.46
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.
4r0m MCYG PROTEIN

(Microcystis
aeruginosa) 		no annotation 4 LEU B  75
PHE B  83
LEU B  87
PHE B  91
 None
 0.69A 3ag4C-4r0mB:
undetectable
3ag4J-4r0mB:
undetectable		 3ag4C-4r0mB:
17.42
3ag4J-4r0mB:
7.39
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.
4rnc ESTERASE

(Rhodococcus sp.
ECU1013) 		PF12697
(Abhydrolase_6) 		4 ARG A 196
LEU A 163
PHE A 185
LEU A 189
 None
 0.80A 3ag4C-4rncA:
undetectable
3ag4J-4rncA:
undetectable		 3ag4C-4rncA:
21.32
3ag4J-4rncA:
10.39
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.
4ud4 POLY(A) RNA
POLYMERASE PROTEIN
CID1

(Schizosaccharomyces
pombe) 		PF01909
(NTP_transf_2)
PF03828
(PAP_assoc) 		4 LEU A 145
GLN A 158
LEU A 125
PHE A 121
 None
 0.91A 3ag4C-4ud4A:
undetectable
3ag4J-4ud4A:
undetectable		 3ag4C-4ud4A:
19.95
3ag4J-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.
4usf STE20-LIKE
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A 255
GLN A 257
LEU A 269
PHE A 291
 None
 0.93A 3ag4C-4usfA:
1.8
3ag4J-4usfA:
undetectable		 3ag4C-4usfA:
22.98
3ag4J-4usfA:
13.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wlh KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 1

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		4 LEU A 202
GLN A 204
PHE A 171
LEU A 167
 None
 0.80A 3ag4C-4wlhA:
undetectable
3ag4J-4wlhA:
undetectable		 3ag4C-4wlhA:
20.24
3ag4J-4wlhA:
9.72
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.
4wlp UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE ISOZYME L5
NUCLEAR FACTOR
RELATED TO
KAPPA-B-BINDING
PROTEIN

(Homo sapiens;
Homo sapiens) 		PF01088
(Peptidase_C12)
no annotation 		4 LEU B  70
GLN B  71
PHE A 294
LEU A 298
 None
 0.77A 3ag4C-4wlpB:
undetectable
3ag4J-4wlpB:
undetectable		 3ag4C-4wlpB:
17.50
3ag4J-4wlpB:
19.05
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.
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)
 0.79A 3ag4C-4wn9A:
undetectable
3ag4J-4wn9A:
undetectable		 3ag4C-4wn9A:
17.15
3ag4J-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
 0.75A 3ag4C-4x00A:
undetectable
3ag4J-4x00A:
undetectable		 3ag4C-4x00A:
21.50
3ag4J-4x00A:
12.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgt FRQ-INTERACTING RNA
HELICASE

(Neurospora
crassa) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF08148
(DSHCT)
PF13234
(rRNA_proc-arch) 		4 LEU A 524
GLN A 526
PHE A 525
LEU A 502
 None
 0.93A 3ag4C-4xgtA:
undetectable
3ag4J-4xgtA:
undetectable		 3ag4C-4xgtA:
12.69
3ag4J-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.
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 3ag4C-4z61A:
undetectable
3ag4J-4z61A:
undetectable		 3ag4C-4z61A:
16.59
3ag4J-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.
5a7d INSCUTEABLE

(Drosophila
melanogaster) 		no annotation 4 LEU L 356
GLN L 357
PHE L 399
LEU L 403
 None
 0.70A 3ag4C-5a7dL:
6.6
3ag4J-5a7dL:
undetectable		 3ag4C-5a7dL:
19.25
3ag4J-5a7dL:
10.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ady GTPASE HFLX

(Escherichia
coli) 		PF01926
(MMR_HSR1)
PF13167
(GTP-bdg_N)
PF16360
(GTP-bdg_M) 		4 LEU 6 402
GLN 6 403
PHE 6 383
LEU 6 379
 None
 0.75A 3ag4C-5ady6:
3.1
3ag4J-5ady6:
undetectable		 3ag4C-5ady6:
18.29
3ag4J-5ady6:
10.34
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.
5aox SIGNAL RECOGNITION
PARTICLE 14 KDA
PROTEIN

(Homo sapiens) 		PF02290
(SRP14) 		4 LEU B  86
PHE B  17
LEU B  13
PHE B   9
 None
 0.84A 3ag4C-5aoxB:
undetectable
3ag4J-5aoxB:
undetectable		 3ag4C-5aoxB:
17.86
3ag4J-5aoxB:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bza BETA-N-ACETYLHEXOSAM
INIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3) 		4 GLN A 460
PHE A 459
PHE A 378
LEU A 343
 None
 0.79A 3ag4C-5bzaA:
undetectable
3ag4J-5bzaA:
undetectable		 3ag4C-5bzaA:
17.12
3ag4J-5bzaA:
10.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bza BETA-N-ACETYLHEXOSAM
INIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3) 		4 LEU A 463
GLN A 460
PHE A 378
LEU A 343
 None
 0.88A 3ag4C-5bzaA:
undetectable
3ag4J-5bzaA:
undetectable		 3ag4C-5bzaA:
17.12
3ag4J-5bzaA:
10.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c9h TELOMERASE REVERSE
TRANSCRIPTASE

(Tetrahymena
thermophila) 		PF12009
(Telomerase_RBD) 		4 GLN A 382
PHE A 379
LEU A 405
PHE A 401
 None
 0.85A 3ag4C-5c9hA:
undetectable
3ag4J-5c9hA:
undetectable		 3ag4C-5c9hA:
18.61
3ag4J-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
 0.78A 3ag4C-5d0fA:
undetectable
3ag4J-5d0fA:
undetectable		 3ag4C-5d0fA:
10.41
3ag4J-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.
5dlq EXPORTIN-4

(Mus musculus) 		no annotation 4 LEU B 206
GLN B 207
PHE B 223
LEU B 227
 None
 0.73A 3ag4C-5dlqB:
4.4
3ag4J-5dlqB:
undetectable		 3ag4C-5dlqB:
12.00
3ag4J-5dlqB:
4.31
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.
5du9 CDA PEPTIDE
SYNTHETASE I

(Streptomyces
coelicolor) 		PF00668
(Condensation) 		4 LEU A 423
GLN A 424
PHE A 427
LEU A 229
 None
 0.78A 3ag4C-5du9A:
undetectable
3ag4J-5du9A:
undetectable		 3ag4C-5du9A:
20.97
3ag4J-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.
5e5u RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE GAMMA

(Mus musculus) 		PF00194
(Carb_anhydrase) 		4 LEU A 246
PHE A 270
LEU A 242
PHE A 107
 None
 0.94A 3ag4C-5e5uA:
undetectable
3ag4J-5e5uA:
undetectable		 3ag4C-5e5uA:
19.59
3ag4J-5e5uA:
11.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e6g DE NOVO DESIGNED
PROTEIN CA01

(synthetic
construct) 		no annotation 4 LEU A  88
PHE A 102
LEU A 106
PHE A  81
 None
 0.79A 3ag4C-5e6gA:
3.6
3ag4J-5e6gA:
undetectable		 3ag4C-5e6gA:
19.51
3ag4J-5e6gA:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3ag4C-5g4qA:
undetectable
3ag4J-5g4qA:
undetectable		 3ag4C-5g4qA:
20.21
3ag4J-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.
5ipx ORF49 PROTEIN

(Human
gammaherpesvirus
8) 		PF04793
(Herpes_BBRF1) 		4 LEU A  87
PHE A 204
LEU A 208
PHE A 212
 None
 0.86A 3ag4C-5ipxA:
0.0
3ag4J-5ipxA:
undetectable		 3ag4C-5ipxA:
20.47
3ag4J-5ipxA:
11.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5iy5 CYTOCHROME C OXIDASE
SUBUNIT 3

(Bos taurus) 		PF00510
(COX3) 		7 ARG C 156
LEU C 160
GLN C 161
PHE C 164
PHE C 219
LEU C 223
PHE C 225
 CHD  C 307 (-4.0A)
CHD  C 307 ( 3.9A)
CHD  C 307 (-4.3A)
CHD  C 307 (-3.9A)
None
None
None
 0.38A 3ag4C-5iy5C:
37.3
3ag4J-5iy5C:
undetectable		 3ag4C-5iy5C:
100.00
3ag4J-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.
5jbg LGP2

(Gallus gallus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		4 LEU A 335
GLN A 336
PHE A 229
LEU A 233
 None
 0.65A 3ag4C-5jbgA:
3.1
3ag4J-5jbgA:
undetectable		 3ag4C-5jbgA:
15.81
3ag4J-5jbgA:
6.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jbg LGP2

(Gallus gallus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		4 LEU A 385
PHE A 434
LEU A 432
PHE A 360
 None
 0.83A 3ag4C-5jbgA:
3.1
3ag4J-5jbgA:
undetectable		 3ag4C-5jbgA:
15.81
3ag4J-5jbgA:
6.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jbw 3-HYDROXYBUTYRYL-COA
DEHYDRATASE

(Myxococcus
xanthus) 		PF00378
(ECH_1) 		4 LEU A  31
PHE A  80
LEU A  84
PHE A  88
 None
 0.72A 3ag4C-5jbwA:
undetectable
3ag4J-5jbwA:
undetectable		 3ag4C-5jbwA:
20.91
3ag4J-5jbwA:
13.04
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.
5ju6 BETA-GLUCOSIDASE

(Rasamsonia
emersonii) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ARG A  82
LEU A  83
PHE A  50
LEU A  54
 None
 0.89A 3ag4C-5ju6A:
undetectable
3ag4J-5ju6A:
undetectable		 3ag4C-5ju6A:
13.89
3ag4J-5ju6A:
5.28
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.
5llq METHYLATED-DNA--PROT
EIN-CYSTEINE
METHYLTRANSFERASE

(Sulfolobus
solfataricus) 		PF01035
(DNA_binding_1) 		4 LEU A  60
PHE A  45
LEU A  49
PHE A  53
 None
 0.89A 3ag4C-5llqA:
undetectable
3ag4J-5llqA:
undetectable		 3ag4C-5llqA:
19.92
3ag4J-5llqA:
15.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lsk PROTEIN MIS12
HOMOLOG
POLYAMINE-MODULATED
FACTOR 1

(Homo sapiens;
Homo sapiens) 		PF05859
(Mis12)
PF03980
(Nnf1) 		4 LEU A  78
PHE A  79
PHE B  45
LEU B  49
 None
 0.85A 3ag4C-5lskA:
undetectable
3ag4J-5lskA:
2.7		 3ag4C-5lskA:
21.82
3ag4J-5lskA:
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.
5m7o NITROGEN
ASSIMILATION
REGULATORY PROTEIN

(Brucella
abortus) 		PF00072
(Response_reg)
PF00158
(Sigma54_activat)
PF02954
(HTH_8) 		4 LEU A 358
GLN A 357
PHE A 323
LEU A 319
 None
 0.84A 3ag4C-5m7oA:
undetectable
3ag4J-5m7oA:
undetectable		 3ag4C-5m7oA:
17.83
3ag4J-5m7oA:
7.59
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.
5mmi PLASTID RIBOSOMAL
PROTEIN UL10C

(Spinacia
oleracea) 		PF00466
(Ribosomal_L10) 		4 GLN I 151
PHE I 150
LEU I 102
PHE I 134
 None
 0.89A 3ag4C-5mmiI:
undetectable
3ag4J-5mmiI:
undetectable		 3ag4C-5mmiI:
21.69
3ag4J-5mmiI:
14.60
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.
5mu7 COATOMER SUBUNIT
BETA
COATOMER SUBUNIT
DELTA-LIKE PROTEIN

(Chaetomium
thermophilum;
Chaetomium
thermophilum) 		PF01602
(Adaptin_N)
PF01217
(Clat_adaptor_s) 		4 LEU B  77
GLN B  78
LEU A 287
PHE A 284
 None
 0.93A 3ag4C-5mu7B:
undetectable
3ag4J-5mu7B:
undetectable		 3ag4C-5mu7B:
17.22
3ag4J-5mu7B:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nbs BETA-GLUCOSIDASE

(Neurospora
crassa) 		no annotation 4 ARG A  78
LEU A  79
PHE A  46
LEU A  50
 None
 0.94A 3ag4C-5nbsA:
undetectable
3ag4J-5nbsA:
undetectable		 3ag4C-5nbsA:
undetectable
3ag4J-5nbsA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 LEU A3536
GLN A3538
PHE A3543
LEU A3509
PHE A3529
 None
 1.44A 3ag4C-5nugA:
undetectable
3ag4J-5nugA:
undetectable		 3ag4C-5nugA:
4.40
3ag4J-5nugA:
1.38
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.
5oen INTERFERON
REGULATORY FACTOR 9

(Mus musculus) 		no annotation 4 PHE A 339
PHE A 322
LEU A 326
PHE A 330
 None
 0.90A 3ag4C-5oenA:
undetectable
3ag4J-5oenA:
undetectable		 3ag4C-5oenA:
undetectable
3ag4J-5oenA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5umq GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE

(Streptomyces
sp. CB03234) 		no annotation 4 LEU A 121
PHE A 119
PHE A 111
LEU A  88
 None
 0.81A 3ag4C-5umqA:
undetectable
3ag4J-5umqA:
undetectable		 3ag4C-5umqA:
undetectable
3ag4J-5umqA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v0t ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Paraburkholderia
xenovorans) 		PF00982
(Glyco_transf_20) 		4 PHE A 167
PHE A  98
LEU A  94
PHE A  89
 None
 0.89A 3ag4C-5v0tA:
undetectable
3ag4J-5v0tA:
undetectable		 3ag4C-5v0tA:
20.08
3ag4J-5v0tA:
5.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xgu RIBONUCLEASE R

(Escherichia
coli) 		no annotation 4 LEU B 449
GLN B 450
PHE B 411
LEU B 415
 None
 0.83A 3ag4C-5xguB:
undetectable
3ag4J-5xguB:
undetectable		 3ag4C-5xguB:
15.24
3ag4J-5xguB:
6.59
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.
5xhx HELIX-TURN-HELIX
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		no annotation 4 LEU A 141
GLN A 128
LEU A  30
PHE A  26
 None
 0.90A 3ag4C-5xhxA:
undetectable
3ag4J-5xhxA:
undetectable		 3ag4C-5xhxA:
21.93
3ag4J-5xhxA:
16.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xjj MULTI DRUG EFFLUX
TRANSPORTER

(Camelina sativa) 		PF01554
(MatE) 		4 LEU A 348
PHE A 344
PHE A 380
LEU A 376
 None
 0.76A 3ag4C-5xjjA:
3.3
3ag4J-5xjjA:
undetectable		 3ag4C-5xjjA:
22.22
3ag4J-5xjjA:
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT

(Komagataella
phaffii) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 LEU A 868
GLN A 866
PHE A 867
LEU A1002
 None
 0.84A 3ag4C-5xogA:
3.9
3ag4J-5xogA:
undetectable		 3ag4C-5xogA:
9.55
3ag4J-5xogA:
3.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3
PROTEIN SALVADOR
HOMOLOG 1

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		4 LEU A 466
GLN A 468
PHE B 343
LEU B 347
 None
 0.77A 3ag4C-6ao5A:
undetectable
3ag4J-6ao5A:
undetectable		 3ag4C-6ao5A:
17.12
3ag4J-6ao5A:
9.57