SIMILAR PATTERNS OF AMINO ACIDS FOR 3JAY_A_SAMA1102_1

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.
1anu COHESIN-2

(Ruminiclostridium
thermocellum) 		PF00963
(Cohesin) 		3 ARG A  38
ASP A 133
ASP A 114
 None
 0.88A 3jayA-1anuA:
0.0		 3jayA-1anuA:
7.46
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.
1b79 DNAB HELICASE

(Escherichia
coli) 		PF00772
(DnaB) 		3 ARG A  53
ASP A  58
ASP A 123
 None
 0.48A 3jayA-1b79A:
undetectable		 3jayA-1b79A:
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.
1d2n N-ETHYLMALEIMIDE-SEN
SITIVE FUSION
PROTEIN

(Cricetulus
griseus) 		PF00004
(AAA) 		3 ARG A 615
ASP A 579
ASP A 612
 None
None
ANP  A   1 ( 4.3A)
 0.81A 3jayA-1d2nA:
0.0		 3jayA-1d2nA:
13.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dab P.69 PERTACTIN

(Bordetella
pertussis) 		PF03212
(Pertactin) 		3 ARG A 451
ASP A 462
ASP A 426
 None
 0.87A 3jayA-1dabA:
0.0		 3jayA-1dabA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1drt CLAVAMINATE SYNTHASE
1

(Streptomyces
clavuligerus) 		PF02668
(TauD) 		3 ARG A 276
ASP A  60
ASP A 273
 None
 0.69A 3jayA-1drtA:
0.0		 3jayA-1drtA:
16.05
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		3 ARG A 234
ASP A 113
ASP A 231
 None
 0.79A 3jayA-1gpeA:
0.0		 3jayA-1gpeA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hyh L-2-HYDROXYISOCAPROA
TE DEHYDROGENASE

(Weissella
confusa) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		3 ARG A 315
ASP A 323
ASP A 316
 None
 0.87A 3jayA-1hyhA:
0.0		 3jayA-1hyhA:
15.42
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.
1ig8 HEXOKINASE PII

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		3 ARG A 199
ASP A 140
ASP A 133
 None
 0.90A 3jayA-1ig8A:
0.0		 3jayA-1ig8A:
18.88
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.
1mtp SERINE PROTEINASE
INHIBITOR (SERPIN),
CHAIN A
SERINE PROTEINASE
INHIBITOR (SERPIN),
CHAIN B

(Thermobifida
fusca;
Thermobifida
fusca) 		PF00079
(Serpin)
no annotation 		3 ARG A 306
ASP B 363
ASP A 308
 None
 0.86A 3jayA-1mtpA:
0.0		 3jayA-1mtpA:
15.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nne DNA MISMATCH REPAIR
PROTEIN MUTS

(Thermus
aquaticus) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		3 ARG A 334
ASP A 348
ASP A 331
 None
 0.86A 3jayA-1nneA:
undetectable		 3jayA-1nneA:
21.44
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.
1og6 HYPOTHETICAL
OXIDOREDUCTASE YDHF

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		3 ARG A 103
ASP A 135
ASP A 141
 None
 0.79A 3jayA-1og6A:
undetectable		 3jayA-1og6A:
15.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p27 MAGO NASHI PROTEIN
HOMOLOG

(Homo sapiens) 		PF02792
(Mago_nashi) 		3 ARG A  27
ASP A   4
ASP A  29
 None
 0.83A 3jayA-1p27A:
undetectable		 3jayA-1p27A:
10.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pgw BEAN POD MOTTLE
VIRUS LARGE (L)
SUBUNIT

(Bean pod mottle
virus) 		PF02247
(Como_LCP) 		3 ARG 2  57
ASP 2  61
ASP 2  22
 None
 0.66A 3jayA-1pgw2:
undetectable		 3jayA-1pgw2:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rdr POLIOVIRUS 3D
POLYMERASE

(Enterovirus C) 		PF00680
(RdRP_1) 		3 ARG A 408
ASP A 412
ASP A 406
 None
 0.78A 3jayA-1rdrA:
undetectable		 3jayA-1rdrA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tj7 ARGININOSUCCINATE
LYASE

(Escherichia
coli) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		3 ARG A 109
ASP A 116
ASP A  83
 PO4  A 601 (-3.7A)
None
None
 0.81A 3jayA-1tj7A:
undetectable		 3jayA-1tj7A:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yfz HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE

(Caldanaerobacter
subterraneus) 		PF00156
(Pribosyltran) 		3 ARG A 136
ASP A 132
ASP A 105
 None
None
IMP  A1210 (-4.2A)
 0.85A 3jayA-1yfzA:
3.0		 3jayA-1yfzA:
12.04
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.
2bco SUCCINYLGLUTAMATE
DESUCCINYLASE

(Vibrio
parahaemolyticus) 		PF04952
(AstE_AspA) 		3 ARG A 138
ASP A 143
ASP A 139
 None
 0.89A 3jayA-2bcoA:
undetectable		 3jayA-2bcoA:
16.19
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.
2d1p HYPOTHETICAL PROTEIN
YHEL

(Escherichia
coli) 		PF04077
(DsrH) 		3 ARG C  48
ASP C  39
ASP C  73
 None
 0.55A 3jayA-2d1pC:
undetectable		 3jayA-2d1pC:
6.93
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.
2dbr GLYOXYLATE REDUCTASE

(Pyrococcus
horikoshii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		3 ARG A 160
ASP A 102
ASP A  98
 SO4  A 501 ( 2.7A)
None
None
 0.87A 3jayA-2dbrA:
2.7		 3jayA-2dbrA:
15.12
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.
2gi7 GPVI PROTEIN

(Homo sapiens) 		PF13895
(Ig_2) 		3 ARG A 166
ASP A 121
ASP A 167
 None
 0.87A 3jayA-2gi7A:
undetectable		 3jayA-2gi7A:
10.49
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.
2hdi COLICIN I RECEPTOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 ARG A 180
ASP A 182
ASP A 179
 None
 0.85A 3jayA-2hdiA:
undetectable		 3jayA-2hdiA:
21.27
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.
2poi BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 4

(Homo sapiens) 		PF00653
(BIR) 		3 ARG A  72
ASP A  77
ASP A  71
 None
 0.72A 3jayA-2poiA:
undetectable		 3jayA-2poiA:
6.30
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.
2rgj FLAVIN-CONTAINING
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		3 ARG A 255
ASP A 261
ASP A 248
 None
 0.67A 3jayA-2rgjA:
undetectable		 3jayA-2rgjA:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ro1 TRANSCRIPTION
INTERMEDIARY FACTOR
1-BETA

(Homo sapiens) 		PF00628
(PHD) 		3 ARG A 767
ASP A 739
ASP A 764
 None
 0.67A 3jayA-2ro1A:
undetectable		 3jayA-2ro1A:
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.
2v7z HEAT SHOCK COGNATE
71 KDA PROTEIN

(Rattus
norvegicus) 		PF00012
(HSP70) 		3 ARG A  72
ASP A  80
ASP A  86
 None
 0.73A 3jayA-2v7zA:
undetectable		 3jayA-2v7zA:
20.98
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.
2wan PULLULANASE

(Bacillus
acidopullulyticus) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		3 ARG A 330
ASP A 605
ASP A 317
 None
 0.79A 3jayA-2wanA:
undetectable		 3jayA-2wanA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ylz PHENYLACETONE
MONOOXYGENASE

(Thermobifida
fusca) 		PF13738
(Pyr_redox_3) 		3 ARG A 525
ASP A 459
ASP A 529
 None
 0.90A 3jayA-2ylzA:
undetectable		 3jayA-2ylzA:
20.26
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.
2yyb HYPOTHETICAL PROTEIN
TTHA1606

(Thermus
thermophilus) 		PF01784
(NIF3) 		3 ARG A   3
ASP A  11
ASP A   4
 None
 0.87A 3jayA-2yybA:
undetectable		 3jayA-2yybA:
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.
2zf5 GLYCEROL KINASE

(Thermococcus
kodakarensis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		3 ARG O  82
ASP O 236
ASP O 239
 None
 0.85A 3jayA-2zf5O:
undetectable		 3jayA-2zf5O:
19.44
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.
3a0x SENSOR PROTEIN

(Thermotoga
maritima) 		PF02518
(HATPase_c) 		3 ARG A 643
ASP A 678
ASP A 641
 None
 0.83A 3jayA-3a0xA:
undetectable		 3jayA-3a0xA:
9.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3act CELLOBIOSE
PHOSPHORYLASE

(Cellulomonas
gilvus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		3 ARG A   2
ASP A 701
ASP A 698
 None
 0.90A 3jayA-3actA:
undetectable		 3jayA-3actA:
23.35
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.
3beo UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Bacillus
anthracis) 		PF02350
(Epimerase_2) 		3 ARG A  69
ASP A  74
ASP A  68
 None
None
UD1  A 372 (-4.7A)
 0.70A 3jayA-3beoA:
undetectable		 3jayA-3beoA:
17.46
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.
3d3r HYDROGENASE ASSEMBLY
CHAPERONE HYPC/HUPF

(Shewanella
oneidensis) 		PF01455
(HupF_HypC) 		3 ARG A  16
ASP A  29
ASP A  13
 None
 0.66A 3jayA-3d3rA:
undetectable		 3jayA-3d3rA:
6.52
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.
3dlj BETA-ALA-HIS
DIPEPTIDASE

(Homo sapiens) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		3 ARG A 342
ASP A 233
ASP A 231
 None
None
UNX  A2010 ( 4.8A)
 0.69A 3jayA-3dljA:
undetectable		 3jayA-3dljA:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eex OUTER SURFACE
PROTEIN A

(Borreliella
burgdorferi) 		PF00820
(Lipoprotein_1) 		3 ARG A 208
ASP A 187
ASP A 210
 None
 0.86A 3jayA-3eexA:
undetectable		 3jayA-3eexA:
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.
3f2v GENERAL STRESS
PROTEIN 14

(Treponema
denticola) 		PF02525
(Flavodoxin_2) 		3 ARG A 145
ASP A  60
ASP A 143
 None
 0.74A 3jayA-3f2vA:
undetectable		 3jayA-3f2vA:
11.24
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.
3h2u RAVER-1

(Homo sapiens) 		PF00076
(RRM_1) 		3 ARG B 227
ASP B 283
ASP B 226
 None
 0.90A 3jayA-3h2uB:
undetectable		 3jayA-3h2uB:
12.92
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.
3k0s DNA MISMATCH REPAIR
PROTEIN MUTS

(Escherichia
coli) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		3 ARG A 350
ASP A 364
ASP A 347
 None
 0.73A 3jayA-3k0sA:
3.6		 3jayA-3k0sA:
23.49
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.
3mam OSMOPROTECTION
PROTEIN (PROX)

(Archaeoglobus
fulgidus) 		PF04069
(OpuAC) 		3 ARG A 108
ASP A 239
ASP A 215
 None
 0.90A 3jayA-3mamA:
undetectable		 3jayA-3mamA:
14.00
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.
3mez MANNOSE-SPECIFIC
LECTIN 3 CHAIN 2

(Crocus vernus) 		PF01453
(B_lectin) 		3 ARG B  31
ASP B  17
ASP B  33
 None
 0.81A 3jayA-3mezB:
undetectable		 3jayA-3mezB:
7.74
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.
3ml0 PENICILLIN G
ACYLASE, ALPHA
SUBUNIT
PENICILLIN G
ACYLASE, BETA
SUBUNIT

(Alcaligenes
faecalis;
Alcaligenes
faecalis) 		PF01804
(Penicil_amidase)
PF01804
(Penicil_amidase) 		3 ARG B 141
ASP B  73
ASP A 149
 None
CA  B 552 (-2.7A)
None
 0.80A 3jayA-3ml0B:
undetectable		 3jayA-3ml0B:
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.
3n7k BOTULINUM NEUROTOXIN
TYPE C1

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		3 ARG A1161
ASP A1166
ASP A1159
 None
 0.83A 3jayA-3n7kA:
undetectable		 3jayA-3n7kA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3net HISTIDYL-TRNA
SYNTHETASE

(Nostoc sp. PCC
7120) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		3 ARG A 420
ASP A 415
ASP A 439
 None
 0.67A 3jayA-3netA:
undetectable		 3jayA-3netA:
18.10
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.
3or5 THIOL:DISULFIDE
INTERCHANGE PROTEIN,
THIOREDOXIN FAMILY
PROTEIN

(Chlorobaculum
tepidum) 		PF08534
(Redoxin) 		3 ARG A 158
ASP A  76
ASP A 162
 None
 0.90A 3jayA-3or5A:
undetectable		 3jayA-3or5A:
9.44
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.
3r79 UNCHARACTERIZED
PROTEIN

(Agrobacterium
fabrum) 		PF01168
(Ala_racemase_N) 		3 ARG A  52
ASP A  97
ASP A  75
 None
 0.84A 3jayA-3r79A:
undetectable		 3jayA-3r79A:
12.52
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.
3ry7 RIBOKINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		3 ARG A 263
ASP A 269
ASP A 273
 None
 0.78A 3jayA-3ry7A:
2.7		 3jayA-3ry7A:
15.12
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.
3tsc PUTATIVE
OXIDOREDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		3 ARG A 148
ASP A 254
ASP A  99
 None
 0.73A 3jayA-3tscA:
undetectable		 3jayA-3tscA:
14.97
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.
3ufb TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Vibrio
vulnificus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		3 ARG A 150
ASP A  36
ASP A  44
 None
 0.72A 3jayA-3ufbA:
7.4		 3jayA-3ufbA:
19.45
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.
3ufg GLYCYL-TRNA
SYNTHETASE ALPHA
SUBUNIT

(Campylobacter
jejuni) 		PF02091
(tRNA-synt_2e) 		3 ARG A  58
ASP A 251
ASP A  61
 ATP  A 288 (-2.9A)
None
ATP  A 288 (-3.7A)
 0.80A 3jayA-3ufgA:
undetectable		 3jayA-3ufgA:
15.11
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.
3ulx STRESS-INDUCED
TRANSCRIPTION FACTOR
NAC1

(Oryza sativa) 		PF02365
(NAM) 		3 ARG A  76
ASP A 157
ASP A  77
 None
 0.79A 3jayA-3ulxA:
undetectable		 3jayA-3ulxA:
9.68
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.
4as5 INOSITOL
MONOPHOSPHATASE 1

(Mus musculus) 		PF00459
(Inositol_P) 		3 ARG A 248
ASP A 244
ASP A 274
 None
 0.89A 3jayA-4as5A:
undetectable		 3jayA-4as5A:
12.62
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.
4c3h DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA190

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		3 ARG A1295
ASP A1298
ASP A1268
 None
 0.86A 3jayA-4c3hA:
undetectable		 3jayA-4c3hA:
21.27
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.
4i9f GLYCEROL 3-PHOSPHATE
PHOSPHATASE

(Mycobacterium
tuberculosis) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		3 ARG A 210
ASP A 237
ASP A 212
 None
 0.75A 3jayA-4i9fA:
1.8		 3jayA-4i9fA:
16.06
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.
4j7q PHOSPHATIDYLINOSITOL
TRANSFER PROTEIN
PDR16

(Saccharomyces
cerevisiae) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		3 ARG A 309
ASP A 186
ASP A 313
 None
 0.78A 3jayA-4j7qA:
undetectable		 3jayA-4j7qA:
16.00
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.
4j8f HEAT SHOCK 70 KDA
PROTEIN 1A/1B,
HSC70-INTERACTING
PROTEIN

(Homo sapiens;
Rattus
norvegicus) 		PF00012
(HSP70) 		3 ARG A  72
ASP A  80
ASP A  86
 None
 0.88A 3jayA-4j8fA:
undetectable		 3jayA-4j8fA:
19.55
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.
4lq1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		3 ARG A 315
ASP A 323
ASP A 316
 None
 0.76A 3jayA-4lq1A:
undetectable		 3jayA-4lq1A:
18.40
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.
4nv0 7-METHYLGUANOSINE
PHOSPHATE-SPECIFIC
5'-NUCLEOTIDASE

(Drosophila
melanogaster) 		PF05822
(UMPH-1) 		3 ARG A  64
ASP A 270
ASP A 289
 None
 0.89A 3jayA-4nv0A:
undetectable		 3jayA-4nv0A:
15.05
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.
4ow2 YOP EFFECTOR YOPM

(Yersinia
enterocolitica) 		PF12468
(TTSSLRR) 		3 ARG A 402
ASP A 419
ASP A 422
 None
 0.83A 3jayA-4ow2A:
undetectable		 3jayA-4ow2A:
17.13
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.
4oxc E3 UBIQUITIN-PROTEIN
LIGASE XIAP

(Homo sapiens) 		PF00653
(BIR) 		3 ARG A  72
ASP A  77
ASP A  71
 None
 0.77A 3jayA-4oxcA:
undetectable		 3jayA-4oxcA:
7.32
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.
4ozy POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13229
(Beta_helix) 		3 ARG A 369
ASP A 317
ASP A 368
 None
 0.81A 3jayA-4ozyA:
undetectable		 3jayA-4ozyA:
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.
4pht GENERAL SECRETORY
PATHWAY PROTEIN E
TYPE II SECRETION
SYSTEM PROTEIN L

(Vibrio
vulnificus;
Vibrio
vulnificus) 		PF00437
(T2SSE)
PF05134
(T2SSL) 		3 ARG X 116
ASP X 123
ASP A 289
 None
 0.80A 3jayA-4phtX:
2.0		 3jayA-4phtX:
12.19
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.
4pmd ENDO-1,4-BETA-XYLANA
SE

(Caldicellulosiruptor
bescii) 		PF00331
(Glyco_hydro_10) 		3 ARG A 259
ASP A 316
ASP A 257
 None
 0.73A 3jayA-4pmdA:
undetectable		 3jayA-4pmdA:
16.02
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.
4u3a ENDOGLUCANASE H

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase) 		3 ARG A 340
ASP A 304
ASP A 297
 None
 0.89A 3jayA-4u3aA:
undetectable		 3jayA-4u3aA:
16.73
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.
4uym 14-ALPHA STEROL
DEMETHYLASE

(Aspergillus
fumigatus) 		PF00067
(p450) 		3 ARG A 160
ASP A 273
ASP A 157
 None
 0.65A 3jayA-4uymA:
undetectable		 3jayA-4uymA:
18.26
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.
4wgx MOLINATE HYDROLASE

(Gulosibacter
molinativorax) 		PF01979
(Amidohydro_1) 		3 ARG A 183
ASP A 174
ASP A 153
 None
 0.78A 3jayA-4wgxA:
undetectable		 3jayA-4wgxA:
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.
4yai C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		3 ARG A 135
ASP A   2
ASP A  86
 None
 0.87A 3jayA-4yaiA:
undetectable		 3jayA-4yaiA:
13.60
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.
5bp1 MYCOCEROSIC ACID
SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		3 ARG A 599
ASP A 729
ASP A 598
 None
 0.88A 3jayA-5bp1A:
2.7		 3jayA-5bp1A:
22.60
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.
5cb7 OUTER CAPSID PROTEIN
VP4

(Rotavirus A) 		no annotation 3 ARG A 170
ASP A 195
ASP A 171
 None
 0.82A 3jayA-5cb7A:
undetectable		 3jayA-5cb7A:
10.77
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.
5ce9 POLYPHENOL OXIDASE

(Juglans regia) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		3 ARG A 314
ASP A 319
ASP A  35
 None
 0.89A 3jayA-5ce9A:
undetectable		 3jayA-5ce9A:
15.41
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.
5cgz 4-OXALMESACONATE
HYDRATASE

(Pseudomonas
putida) 		PF02585
(PIG-L) 		3 ARG A  46
ASP A  86
ASP A  89
 None
GOL  A 308 (-3.3A)
None
 0.88A 3jayA-5cgzA:
2.7		 3jayA-5cgzA:
12.52
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.
5dan 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE

(Thermotoga
maritima) 		PF00248
(Aldo_ket_red) 		3 ARG A 151
ASP A 168
ASP A 182
 None
 0.73A 3jayA-5danA:
undetectable		 3jayA-5danA:
13.89
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.
5dux GALECTIN-4

(Homo sapiens) 		no annotation 3 ARG B  67
ASP B 141
ASP B  69
 LAT  B 201 (-2.6A)
None
None
 0.73A 3jayA-5duxB:
undetectable		 3jayA-5duxB:
9.11
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.
5ggg PROTEIN
O-LINKED-MANNOSE
BETA-1,2-N-ACETYLGLU
COSAMINYLTRANSFERASE
1

(Homo sapiens) 		PF03071
(GNT-I)
PF15711
(ILEI) 		3 ARG A 129
ASP A 122
ASP A 179
 None
 0.73A 3jayA-5gggA:
undetectable		 3jayA-5gggA:
18.22
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.
5ggk PROTEIN
O-LINKED-MANNOSE
BETA-1,2-N-ACETYLGLU
COSAMINYLTRANSFERASE
1

(Homo sapiens) 		PF15711
(ILEI) 		3 ARG A 129
ASP A 122
ASP A 179
 EDO  A 305 ( 3.6A)
None
MBE  A 301 ( 3.0A)
 0.76A 3jayA-5ggkA:
undetectable		 3jayA-5ggkA:
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.
5gju ATP-DEPENDENT RNA
HELICASE DEAD

(Escherichia
coli) 		PF00270
(DEAD) 		3 ARG A 135
ASP A 169
ASP A 138
 None
 0.86A 3jayA-5gjuA:
undetectable		 3jayA-5gjuA:
11.17
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.
5hcd RHIPICEPHALUS
MICROPLUS RACI2

(Rhipicephalus
microplus) 		no annotation 3 ARG D  29
ASP D  24
ASP D  49
 None
 0.88A 3jayA-5hcdD:
undetectable		 3jayA-5hcdD:
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.
5hqb ALPHA-GLUCOSIDASE

(Pseudoalteromonas
sp. K8) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		3 ARG A 594
ASP A 597
ASP A 572
 None
 0.76A 3jayA-5hqbA:
undetectable		 3jayA-5hqbA:
20.65
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.
5ijg CYS/MET METABOLISM
PYRIDOXAL-PHOSPHATE-
DEPENDENT ENZYME

(Brucella
melitensis) 		PF01053
(Cys_Met_Meta_PP) 		3 ARG A 326
ASP A 328
ASP A 324
 None
 0.84A 3jayA-5ijgA:
3.3		 3jayA-5ijgA:
18.32
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.
5ivl DEAD-BOX
ATP-DEPENDENT RNA
HELICASE CSHA

(Geobacillus
stearothermophilus) 		no annotation 3 ARG B 130
ASP B 164
ASP B 133
 None
 0.83A 3jayA-5ivlB:
2.0		 3jayA-5ivlB:
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.
5jju UNCHARACTERIZED
PROTEIN RV2837C

(Mycobacterium
tuberculosis) 		PF01368
(DHH)
PF02272
(DHHA1) 		3 ARG A 112
ASP A 136
ASP A 111
 A  C1003 ( 3.4A)
None
None
 0.86A 3jayA-5jjuA:
undetectable		 3jayA-5jjuA:
16.78
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.
5jxu DYP-TYPE PEROXIDASE
FAMILY

(Thermomonospora
curvata) 		PF04261
(Dyp_perox) 		3 ARG A  97
ASP A 185
ASP A  93
 None
 0.84A 3jayA-5jxuA:
undetectable		 3jayA-5jxuA:
16.97
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.
5kd0 AROMATIC
PRENYLTRANSFERASE

(Aspergillus
terreus) 		PF11991
(Trp_DMAT) 		3 ARG A 104
ASP A 182
ASP A 179
 GST  A 502 ( 3.4A)
None
GST  A 502 ( 4.4A)
 0.72A 3jayA-5kd0A:
undetectable		 3jayA-5kd0A:
17.73
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.
5mqm GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN

(Bacteroides
thetaiotaomicron) 		PF17132
(Glyco_hydro_106) 		3 ARG A 637
ASP A 653
ASP A 636
 None
 0.85A 3jayA-5mqmA:
undetectable		 3jayA-5mqmA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mzn HELICASE
SEN1,HELICASE SEN1

(Saccharomyces
cerevisiae) 		PF13086
(AAA_11)
PF13087
(AAA_12) 		3 ARG A1841
ASP A1849
ASP A1842
 None
GOL  A2049 ( 4.6A)
None
 0.62A 3jayA-5mznA:
undetectable		 3jayA-5mznA:
21.03
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.
5ols RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 3 ARG A 174
ASP A 177
ASP A 142
 None
 0.76A 3jayA-5olsA:
undetectable		 3jayA-5olsA:
19.59
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.
5op0 DNA POLYMERASE LIGD,
POLYMERASE DOMAIN

(Mycolicibacterium
smegmatis) 		no annotation 3 ARG B  55
ASP B 135
ASP B  56
 None
 0.90A 3jayA-5op0B:
undetectable		 3jayA-5op0B:
16.12
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.
5oyd CELLULASE, PUTATIVE,
CEL5D

(Cellvibrio
japonicus) 		no annotation 3 ARG A 425
ASP A 381
ASP A 373
 None
 0.62A 3jayA-5oydA:
undetectable		 3jayA-5oydA:
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.
5v2d DIOXYGENASE

(Pseudomonas
brassicacearum) 		no annotation 3 ARG A 454
ASP A 405
ASP A 452
 None
 0.84A 3jayA-5v2dA:
undetectable		 3jayA-5v2dA:
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.
5w4a P-GRANULE SCAFFOLD

(Caenorhabditis
japonica) 		no annotation 3 ARG A 194
ASP A 202
ASP A 195
 None
 0.89A 3jayA-5w4aA:
undetectable		 3jayA-5w4aA:
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.
5wm9 RV0078

(Mycobacterium
tuberculosis) 		no annotation 3 ARG A 192
ASP A  91
ASP A 196
 ARG  A 192 ( 0.6A)
ASP  A  91 ( 0.6A)
ASP  A 196 ( 0.6A)
 0.90A 3jayA-5wm9A:
undetectable		 3jayA-5wm9A:
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.
5x6a ENDOGLUCANASE,
PUTATIVE

(Aspergillus
fumigatus) 		no annotation 3 ARG A  58
ASP A  45
ASP A  53
 None
 0.68A 3jayA-5x6aA:
undetectable		 3jayA-5x6aA:
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.
5x9w DNA MISMATCH REPAIR
PROTEIN MUTS

(Neisseria
gonorrhoeae) 		no annotation 3 ARG A 346
ASP A 360
ASP A 343
 None
 0.88A 3jayA-5x9wA:
undetectable		 3jayA-5x9wA:
23.19
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.
5xjv DUAL SPECIFICITY
PROTEIN PHOSPHATASE
13 ISOFORM A

(Homo sapiens) 		no annotation 3 ARG A  37
ASP A  39
ASP A  49
 None
 0.89A 3jayA-5xjvA:
undetectable		 3jayA-5xjvA:
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.
5xox TRNA(HIS)
GUANYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF04446
(Thg1)
PF14413
(Thg1C) 		3 ARG A 133
ASP A  77
ASP A 131
 None
GTP  A 301 (-2.4A)
None
 0.67A 3jayA-5xoxA:
undetectable		 3jayA-5xoxA:
12.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xyf TERF1-INTERACTING
NUCLEAR FACTOR 2

(Homo sapiens) 		no annotation 3 ARG A  52
ASP A  96
ASP A 103
 None
 0.68A 3jayA-5xyfA:
undetectable		 3jayA-5xyfA:
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.
5y3x BETA-XYLANASE

(Caldicellulosiruptor
owensensis) 		no annotation 3 ARG A 259
ASP A 316
ASP A 257
 None
 0.71A 3jayA-5y3xA:
undetectable		 3jayA-5y3xA:
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.
6c1q SOLUBLE CYTOCHROME
B562, C5A
ANAPHYLATOXIN
CHEMOTACTIC RECEPTOR
1 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 3 ARG B 284
ASP B 277
ASP B 281
 None
 0.86A 3jayA-6c1qB:
undetectable		 3jayA-6c1qB:
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.
6cfw MEMBRANE-BOUND
HYDROGENASE SUBUNIT
ALPHA

(Pyrococcus
furiosus) 		no annotation 3 ARG L 201
ASP L 263
ASP L 202
 None
 0.88A 3jayA-6cfwL:
undetectable		 3jayA-6cfwL:
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.
6fnw VOLUME-REGULATED
ANION CHANNEL
SUBUNIT LRRC8A

(Mus musculus) 		no annotation 3 ARG A 600
ASP A 620
ASP A 623
 None
 0.85A 3jayA-6fnwA:
undetectable		 3jayA-6fnwA:
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.
6g72 NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
7, MITOCHONDRIAL
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
1

(Mus musculus;
Mus musculus) 		no annotation
no annotation 		3 ARG B  51
ASP H  51
ASP B  94
 None
 0.88A 3jayA-6g72B:
undetectable		 3jayA-6g72B:
undetectable