SIMILAR PATTERNS OF AMINO ACIDS FOR 3ARU_A_PNXA608_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.
1ao5 GLANDULAR
KALLIKREIN-13


(Mus musculus)
PF00089
(Trypsin)
4 TRP A 141
SER A 139
ALA A 138
ASP A 194
None
1.26A 3aruA-1ao5A:
0.3
3aruA-1ao5A:
17.05
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.
1bbt FOOT-AND-MOUTH
DISEASE VIRUS
(SUBUNIT VP1)


(Foot-and-mouth
disease virus)
PF00073
(Rhv)
4 ASN 1  91
SER 1 162
ALA 1 121
HIS 1 123
None
1.34A 3aruA-1bbt1:
0.1
3aruA-1bbt1:
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.
1dnp DNA PHOTOLYASE

(Escherichia
coli)
PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7)
4 TRP A  41
SER A  83
ALA A  82
ASP A  78
None
1.35A 3aruA-1dnpA:
0.0
3aruA-1dnpA:
21.84
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.
1exz STEM CELL FACTOR

(Homo sapiens)
PF02404
(SCF)
4 SER A 133
ALA A 132
HIS A  42
ASP A  97
None
1.33A 3aruA-1exzA:
undetectable
3aruA-1exzA:
11.76
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.
1gl4 BASEMENT
MEMBRANE-SPECIFIC
HEPARAN SULFATE
PROTEOGLYCAN CORE
PROTEIN


(Mus musculus)
PF13927
(Ig_3)
4 ASN B1843
SER B1842
ALA B1846
ASP B1848
None
1.38A 3aruA-1gl4B:
5.3
3aruA-1gl4B:
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.
1po0 IRON(III) DICITRATE
TRANSPORT PROTEIN
FECA PRECURSOR


(Escherichia
coli)
PF00593
(TonB_dep_Rec)
PF07715
(Plug)
4 ASN A 146
ALA A 144
HIS A 141
ASP A 142
None
1.37A 3aruA-1po0A:
undetectable
3aruA-1po0A:
22.27
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.
1q3x MANNAN-BINDING
LECTIN SERINE
PROTEASE 2


(Homo sapiens)
PF00084
(Sushi)
PF00089
(Trypsin)
4 TRP A 573
SER A 571
ALA A 570
ASP A 632
None
1.08A 3aruA-1q3xA:
undetectable
3aruA-1q3xA:
21.20
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.
1qgc PROTEIN (VIRUS
CAPSID PROTEIN VP1)


(Foot-and-mouth
disease virus)
PF00073
(Rhv)
4 ASN 1  91
SER 1 162
ALA 1 121
HIS 1 123
None
1.35A 3aruA-1qgc1:
0.0
3aruA-1qgc1:
16.32
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.
1raj GENOME POLYPROTEIN

(Enterovirus C)
PF00680
(RdRP_1)
4 ASN A 301
SER A 298
ALA A 325
ASP A 329
None
1.32A 3aruA-1rajA:
undetectable
3aruA-1rajA:
21.34
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.
1rdr POLIOVIRUS 3D
POLYMERASE


(Enterovirus C)
PF00680
(RdRP_1)
4 ASN A 301
SER A 298
ALA A 325
ASP A 329
None
None
None
CA  A 501 (-3.4A)
1.28A 3aruA-1rdrA:
undetectable
3aruA-1rdrA:
20.72
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.
1sgf NERVE GROWTH FACTOR

(Mus musculus)
PF00089
(Trypsin)
4 TRP G 141
SER G 139
ALA G 138
ASP G 194
None
1.17A 3aruA-1sgfG:
undetectable
3aruA-1sgfG:
17.99
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.
1spj KALLIKREIN 1

(Homo sapiens)
PF00089
(Trypsin)
4 TRP A 141
SER A 139
ALA A 138
ASP A 194
None
1.15A 3aruA-1spjA:
undetectable
3aruA-1spjA:
17.42
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.
1ton TONIN

(Rattus rattus)
PF00089
(Trypsin)
4 TRP A 141
SER A 139
ALA A 138
ASP A 194
None
1.17A 3aruA-1tonA:
undetectable
3aruA-1tonA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tp7 GENOME POLYPROTEIN

(Rhinovirus A)
PF00680
(RdRP_1)
4 ASN A 300
SER A 297
ALA A 324
ASP A 328
None
1.31A 3aruA-1tp7A:
undetectable
3aruA-1tp7A:
19.84
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.
1vmi PUTATIVE PHOSPHATE
ACETYLTRANSFERASE


(Escherichia
coli)
PF01515
(PTA_PTB)
4 ASN A 207
SER A 206
ALA A 253
ASP A 235
None
0.92A 3aruA-1vmiA:
undetectable
3aruA-1vmiA:
20.40
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.
1wql IRON-SULFUR PROTEIN
LARGE SUBUNIT OF
CUMENE DIOXYGENASE


(Pseudomonas
fluorescens)
PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
4 ASN A 391
ALA A 239
HIS A 240
ASP A 387
None
None
FE2  A 502 ( 3.2A)
None
1.23A 3aruA-1wqlA:
undetectable
3aruA-1wqlA:
23.32
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.
1wvg CDP-GLUCOSE
4,6-DEHYDRATASE


(Salmonella
enterica)
PF16363
(GDP_Man_Dehyd)
4 ASN A 140
ALA A 302
HIS A 300
ASP A 157
None
1.06A 3aruA-1wvgA:
3.9
3aruA-1wvgA:
19.69
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.
1xr5 GENOME POLYPROTEIN

(Rhinovirus B)
PF00680
(RdRP_1)
4 ASN A 300
SER A 297
ALA A 324
ASP A 328
None
None
None
SM  A 901 (-3.0A)
1.16A 3aruA-1xr5A:
undetectable
3aruA-1xr5A:
23.23
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.
1z8w PYRROLIDONE-CARBOXYL
ATE PEPTIDASE


(Pyrococcus
furiosus)
PF01470
(Peptidase_C15)
4 ASN A 143
SER A 142
ALA A 137
HIS A 166
None
1.04A 3aruA-1z8wA:
undetectable
3aruA-1z8wA:
16.15
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.
1zbe COAT PROTEIN VP1

(Foot-and-mouth
disease virus)
PF00073
(Rhv)
4 ASN 1  91
SER 1 160
ALA 1 121
HIS 1 123
None
1.37A 3aruA-1zbe1:
undetectable
3aruA-1zbe1:
17.53
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.
2az3 NUCLEOSIDE
DIPHOSPHATE KINASE


(Halobacterium
salinarum)
PF00334
(NDK)
4 TRP A 145
SER A 150
ALA A 151
ASP A 148
None
1.31A 3aruA-2az3A:
undetectable
3aruA-2az3A:
14.43
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.
2cc3 PROTEIN VIRB8

(Agrobacterium
tumefaciens)
PF04335
(VirB8)
4 ASN A 166
SER A 165
ALA A 164
HIS A 162
None
1.18A 3aruA-2cc3A:
undetectable
3aruA-2cc3A:
13.68
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.
2e0t DUAL SPECIFICITY
PHOSPHATASE 26


(Homo sapiens)
PF00782
(DSPc)
4 ASN A  78
ALA A  77
HIS A 151
ASP A  73
None
1.35A 3aruA-2e0tA:
undetectable
3aruA-2e0tA:
12.65
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.
2f6g HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM


(Acinetobacter
baylyi)
PF03466
(LysR_substrate)
4 ASN A 175
SER A 171
ALA A 170
HIS A 169
None
1.26A 3aruA-2f6gA:
undetectable
3aruA-2f6gA:
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.
2fhe GLUTATHIONE
S-TRANSFERASE


(Fasciola
hepatica)
PF02798
(GST_N)
PF14497
(GST_C_3)
4 TRP A   7
ASN A 203
ALA A 207
HIS A 206
GSH  A 233 (-3.9A)
None
None
None
1.24A 3aruA-2fheA:
undetectable
3aruA-2fheA:
16.87
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.
2huf ALANINE GLYOXYLATE
AMINOTRANSFERASE


(Aedes aegypti)
PF00266
(Aminotran_5)
4 TRP A 105
SER A 109
ALA A 110
ASP A 107
LLP  A 206 ( 3.5A)
None
None
None
1.36A 3aruA-2hufA:
undetectable
3aruA-2hufA:
21.63
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.
2hyk BETA-1,3-GLUCANASE

(Nocardiopsis
sp. F96)
PF00722
(Glyco_hydro_16)
4 ASN A  51
SER A  52
HIS A  30
ASP A  47
None
None
EOH  A 246 ( 4.1A)
None
1.27A 3aruA-2hykA:
undetectable
3aruA-2hykA:
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.
2ijd PICORNAIN 3C,
RNA-DIRECTED RNA
POLYMERASE


(Enterovirus C)
PF00548
(Peptidase_C3)
PF00680
(RdRP_1)
4 ASN 1 484
SER 1 481
ALA 1 508
ASP 1 512
None
1.29A 3aruA-2ijd1:
undetectable
3aruA-2ijd1:
21.88
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.
2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA


(Homo sapiens)
PF00899
(ThiF)
PF08825
(E2_bind)
PF13416
(SBP_bac_8)
4 ASN B1268
SER B1271
ALA B1270
ASP B1056
None
1.24A 3aruA-2nvuB:
undetectable
3aruA-2nvuB:
22.76
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.
2ojh UNCHARACTERIZED
PROTEIN
ATU1656/AGR_C_3050


(Agrobacterium
fabrum)
PF07676
(PD40)
4 TRP A 131
ASN A  57
ALA A  44
ASP A  87
None
1.33A 3aruA-2ojhA:
undetectable
3aruA-2ojhA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pka KALLIKREIN A

(Sus scrofa)
PF00089
(Trypsin)
4 TRP B 141
SER B 139
ALA B 138
ASP B 194
None
1.13A 3aruA-2pkaB:
undetectable
3aruA-2pkaB:
13.79
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.
2po4 VIRION RNA
POLYMERASE


(Escherichia
virus N4)
no annotation 4 ASN A 617
SER A 615
ALA A 614
ASP A 610
None
1.38A 3aruA-2po4A:
undetectable
3aruA-2po4A:
21.62
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.
2v4v GH59 GALACTOSIDASE

([Clostridium]
cellulolyticum)
PF03422
(CBM_6)
4 ASN A1042
SER A 980
ALA A 979
ASP A1009
XYP  A3051 (-3.0A)
None
None
None
1.28A 3aruA-2v4vA:
2.3
3aruA-2v4vA:
15.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wk2 CHITINASE A

(Serratia
marcescens)
PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N)
5 TRP A 167
SER A 210
ALA A 213
HIS A 229
ASP A 230
SN5  A1563 ( 4.0A)
SN5  A1563 (-3.6A)
None
SN5  A1563 ( 4.7A)
None
0.38A 3aruA-2wk2A:
33.2
3aruA-2wk2A:
51.38
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.
2yjq CEL44C

(Paenibacillus
polymyxa)
PF12891
(Glyco_hydro_44)
4 ASN A  61
SER A  60
ALA A 117
ASP A 119
None
1.39A 3aruA-2yjqA:
4.2
3aruA-2yjqA:
23.20
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.
3atg GLUCANASE

(Cellulosimicrobium
cellulans)
PF00722
(Glyco_hydro_16)
4 ASN A  47
SER A  48
ALA A  71
HIS A  26
None
None
None
GOL  A 263 (-4.0A)
1.32A 3aruA-3atgA:
undetectable
3aruA-3atgA:
19.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b9e CHITINASE A

(Vibrio harveyi)
PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N)
5 TRP A 168
SER A 209
ALA A 212
HIS A 228
ASP A 229
None
0.41A 3aruA-3b9eA:
64.6
3aruA-3b9eA:
99.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c2g SYS-1 PROTEIN

(Caenorhabditis
elegans)
no annotation 4 SER A 251
ALA A 254
HIS A 311
ASP A 309
None
1.30A 3aruA-3c2gA:
undetectable
3aruA-3c2gA:
20.24
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.
3fg4 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN


(Plexaura
homomalla)
PF00305
(Lipoxygenase)
PF01477
(PLAT)
4 ASN A 636
SER A 638
ALA A 637
HIS A 730
GOL  A2301 ( 3.0A)
None
None
None
1.17A 3aruA-3fg4A:
3.2
3aruA-3fg4A:
21.76
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.
3gbn FAB HEAVY CHAIN

(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
4 TRP H 103
SER H  35
ALA H  33
HIS H  95
None
1.38A 3aruA-3gbnH:
6.7
3aruA-3gbnH:
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.
3hcw MALTOSE OPERON
TRANSCRIPTIONAL
REPRESSOR


(Staphylococcus
aureus)
PF13377
(Peripla_BP_3)
4 ASN A 173
SER A 171
ALA A 170
ASP A 166
GOL  A 349 (-3.2A)
None
None
None
1.38A 3aruA-3hcwA:
undetectable
3aruA-3hcwA:
20.03
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.
3hjr EXTRACELLULAR SERINE
PROTEASE


(Aeromonas
sobria)
PF00082
(Peptidase_S8)
PF01483
(P_proprotein)
4 ASN A 189
SER A 190
ALA A 188
ASP A 197
None
1.32A 3aruA-3hjrA:
2.7
3aruA-3hjrA:
21.93
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.
3ibp CHROMOSOME PARTITION
PROTEIN MUKB


(Escherichia
coli)
PF16330
(MukB_hinge)
4 ASN A 609
SER A 610
ALA A 606
HIS A 825
None
1.34A 3aruA-3ibpA:
undetectable
3aruA-3ibpA:
18.20
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.
3iu0 PROTEIN-GLUTAMINE
GAMMA-GLUTAMYLTRANSF
ERASE


(Streptomyces
mobaraensis)
PF09017
(Transglut_prok)
4 SER A 237
ALA A 186
HIS A 187
ASP A 188
None
1.36A 3aruA-3iu0A:
undetectable
3aruA-3iu0A:
21.32
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.
3iv4 PUTATIVE
OXIDOREDUCTASE


(Staphylococcus
aureus)
PF11009
(DUF2847)
4 ASN A  35
SER A  33
ALA A  34
HIS A  26
None
1.36A 3aruA-3iv4A:
undetectable
3aruA-3iv4A:
12.00
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.
3iz3 VIRAL STRUCTURAL
PROTEIN 5


(Cypovirus 1)
no annotation 4 TRP D 182
ASN D  25
ALA D  26
ASP D  22
None
1.34A 3aruA-3iz3D:
undetectable
3aruA-3iz3D:
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.
3k1n HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM


(Acinetobacter
sp. ADP1)
PF00126
(HTH_1)
PF03466
(LysR_substrate)
4 ASN A 175
SER A 171
ALA A 170
HIS A 169
None
1.17A 3aruA-3k1nA:
undetectable
3aruA-3k1nA:
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.
3kwk PUTATIVE NADH
DEHYDROGENASE/NAD(P)
H NITROREDUCTASE


(Bacteroides
thetaiotaomicron)
PF00881
(Nitroreductase)
4 TRP A 121
SER A 126
ALA A 127
ASP A 124
None
1.30A 3aruA-3kwkA:
undetectable
3aruA-3kwkA:
16.09
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.
3m5k PUTATIVE NADH
DEHYDROGENASE/NAD(P)
H NITROREDUCTASE


(Parabacteroides
distasonis)
PF00881
(Nitroreductase)
4 TRP A 116
SER A 121
ALA A 122
ASP A 119
None
1.31A 3aruA-3m5kA:
undetectable
3aruA-3m5kA:
13.76
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.
3n6n RNA-DEPENDENT RNA
POLYMERASE


(Enterovirus A)
PF00680
(RdRP_1)
4 ASN A 302
SER A 299
ALA A 326
ASP A 330
None
1.30A 3aruA-3n6nA:
undetectable
3aruA-3n6nA:
22.38
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.
3o98 BIFUNCTIONAL
GLUTATHIONYLSPERMIDI
NE
SYNTHETASE/AMIDASE


(Escherichia
coli)
PF03738
(GSP_synth)
PF05257
(CHAP)
4 TRP A 298
ASN A 497
ALA A 499
ASP A 292
None
1.36A 3aruA-3o98A:
undetectable
3aruA-3o98A:
22.12
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.
3oz6 MITOGEN-ACTIVATED
PROTEIN KINASE 1,
SERINE/THREONINE
PROTEIN KINASE


(Cryptosporidium
parvum)
PF00069
(Pkinase)
4 ASN A  82
ALA A  80
HIS A   6
ASP A   4
None
1.25A 3aruA-3oz6A:
undetectable
3aruA-3oz6A:
18.46
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.
3p8c ABL INTERACTOR 2
NCK-ASSOCIATED
PROTEIN 1


(Homo sapiens)
PF07815
(Abi_HHR)
PF09735
(Nckap1)
4 ASN F  91
SER F  88
HIS B 945
ASP B 944
None
1.17A 3aruA-3p8cF:
undetectable
3aruA-3p8cF:
13.61
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.
3pf7 BENZOYL-COA
OXYGENASE COMPONENT
B


(Azoarcus
evansii)
no annotation 4 TRP A  98
SER A 224
ALA A 230
ASP A 227
None
1.37A 3aruA-3pf7A:
undetectable
3aruA-3pf7A:
21.98
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.
3pig BETA-FRUCTOFURANOSID
ASE


(Bifidobacterium
longum)
PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C)
4 ASN A 136
ALA A 135
HIS A 177
ASP A 144
None
1.24A 3aruA-3pigA:
undetectable
3aruA-3pigA:
21.77
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.
3qp8 CVIR TRANSCRIPTIONAL
REGULATOR


(Chromobacterium
violaceum)
PF03472
(Autoind_bind)
4 ASN A 148
SER A 145
ALA A 144
HIS A 179
None
1.21A 3aruA-3qp8A:
undetectable
3aruA-3qp8A:
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.
3qqv GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE


(Corynebacterium
glutamicum)
PF00348
(polyprenyl_synt)
4 ASN A 212
SER A 210
ALA A 208
ASP A 194
None
None
None
MG  A 381 (-4.6A)
1.28A 3aruA-3qqvA:
undetectable
3aruA-3qqvA:
22.64
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.
3slu M23 PEPTIDASE DOMAIN
PROTEIN


(Neisseria
meningitidis)
PF01551
(Peptidase_M23)
4 SER A 311
ALA A 310
HIS A 333
ASP A 313
None
1.14A 3aruA-3sluA:
undetectable
3aruA-3sluA:
21.01
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.
3tmc UNCHARACTERIZED
PROTEIN


(Bdellovibrio
bacteriovorus)
PF13487
(HD_5)
4 ASN A 265
SER A 262
ALA A 266
HIS A 293
FE  A 310 ( 2.6A)
None
None
None
1.34A 3aruA-3tmcA:
undetectable
3aruA-3tmcA:
19.89
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.
3tsr RIBONUCLEASE
INHIBITOR
RIBONUCLEASE
PANCREATIC


(Mus musculus)
PF00074
(RnaseA)
PF13516
(LRR_6)
4 TRP E 434
ASN A  72
ALA A 110
HIS A 120
None
1.34A 3aruA-3tsrE:
2.3
3aruA-3tsrE:
20.83
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.
3x3y PHENYLETHYLAMINE
OXIDASE


(Arthrobacter
globiformis)
PF01179
(Cu_amine_oxid)
PF02728
(Cu_amine_oxidN3)
4 ASN A 518
ALA A 516
HIS A 586
ASP A 540
None
1.30A 3aruA-3x3yA:
undetectable
3aruA-3x3yA:
21.15
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.
4a25 FERRITIN DPS FAMILY
PROTEIN


(Kineococcus
radiotolerans)
PF00210
(Ferritin)
4 ASN A  27
SER A  23
ALA A  22
ASP A 139
None
1.18A 3aruA-4a25A:
undetectable
3aruA-4a25A:
14.95
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.
4cok PYRUVATE
DECARBOXYLASE


(Gluconacetobacter
diazotrophicus)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
4 ASN A 169
ALA A 103
HIS A 106
ASP A 105
None
1.22A 3aruA-4cokA:
undetectable
3aruA-4cokA:
22.10
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.
4e3e MAOC DOMAIN PROTEIN
DEHYDRATASE


(Chloroflexus
aurantiacus)
PF01575
(MaoC_dehydratas)
4 SER A 294
ALA A 292
HIS A 208
ASP A 207
None
1.33A 3aruA-4e3eA:
undetectable
3aruA-4e3eA:
20.10
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.
4fdd RNA-BINDING PROTEIN
FUS
TRANSPORTIN-1


(Homo sapiens)
PF03810
(IBN_N)
PF13513
(HEAT_EZ)
no annotation
4 ASN A 727
SER A 686
ALA A 689
ASP B 512
None
1.37A 3aruA-4fddA:
undetectable
3aruA-4fddA:
21.54
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.
4fxg MANNAN-BINDING
LECTIN SERINE
PROTEASE 2 B CHAIN


(Homo sapiens)
PF00089
(Trypsin)
4 TRP H 573
SER H 571
ALA H 570
ASP H 632
None
1.17A 3aruA-4fxgH:
undetectable
3aruA-4fxgH:
18.59
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.
4gh4 CAPSID PROTEIN VP1

(Foot-and-mouth
disease virus)
PF00073
(Rhv)
4 ASN A  91
SER A 161
ALA A 121
HIS A 123
None
1.38A 3aruA-4gh4A:
undetectable
3aruA-4gh4A:
17.44
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.
4hcr PF-547659 HEAVY
CHAIN


(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
4 ASN H 215
SER H 214
HIS H 211
ASP H 210
None
1.19A 3aruA-4hcrH:
4.8
3aruA-4hcrH:
16.10
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.
4l5f HEAVY CHAIN OF E106
ANTIBODY (VH AND CH1
OF IGG2C)
LIGHT CHAIN OF E106
ANTIBODY (KAPPA)


(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
4 ASN L  34
SER L  49
ALA H  99
ASP H 101
None
1.33A 3aruA-4l5fL:
5.5
3aruA-4l5fL:
16.25
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.
4nff KALLIKREIN-2

(Homo sapiens)
PF00089
(Trypsin)
4 TRP A 141
SER A 139
ALA A 138
ASP A 194
None
1.22A 3aruA-4nffA:
undetectable
3aruA-4nffA:
17.27
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.
4o2h PROTEIN BCAM1869

(Burkholderia
cenocepacia)
PF16245
(DUF4902)
4 TRP A  75
SER A  35
ALA A 132
HIS A  32
None
1.20A 3aruA-4o2hA:
undetectable
3aruA-4o2hA:
14.03
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.
4qi4 CELLOBIOSE
DEHYDROGENASE


(Crassicarpon
hotsonii)
PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
4 TRP A 341
SER A 762
ALA A 766
ASP A 724
None
1.39A 3aruA-4qi4A:
undetectable
3aruA-4qi4A:
24.61
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.
4ql9 ALKYLHYDROPEROXIDE
REDUCTASE SUBUNIT C


(Escherichia
coli)
PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C)
4 SER A 146
ALA A 145
HIS A  57
ASP A  56
None
1.25A 3aruA-4ql9A:
undetectable
3aruA-4ql9A:
17.06
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.
4wvm STONUSTOXIN SUBUNIT
ALPHA


(Synanceia
horrida)
PF00622
(SPRY)
PF13765
(PRY)
4 ASN A 474
SER A 472
ALA A 526
ASP A 528
None
1.25A 3aruA-4wvmA:
2.0
3aruA-4wvmA:
21.85
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.
4y1g UNCHARACTERIZED
PROTEIN SAV1875


(Staphylococcus
aureus)
PF01965
(DJ-1_PfpI)
4 ASN A  40
SER A  41
ALA A  39
ASP A  54
None
1.28A 3aruA-4y1gA:
undetectable
3aruA-4y1gA:
16.10
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.
4y2e DUAL SPECIFICITY
PROTEIN PHOSPHATASE
7


(Homo sapiens)
PF00782
(DSPc)
4 ASN A 274
SER A 204
HIS A 202
ASP A 201
None
None
None
PO4  A 301 (-3.2A)
1.38A 3aruA-4y2eA:
undetectable
3aruA-4y2eA:
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.
4zmu DIGUANYLATE CYCLASE

(Pseudomonas
aeruginosa)
PF00990
(GGDEF)
PF01590
(GAF)
4 ASN A 122
SER A 121
ALA A 120
ASP A  19
None
1.17A 3aruA-4zmuA:
undetectable
3aruA-4zmuA:
18.52
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.
4zpd RNA-DIRECTED RNA
POLYMERASE


(Enterovirus B)
PF00680
(RdRP_1)
4 ASN A 302
SER A 299
ALA A 326
ASP A 330
None
1.29A 3aruA-4zpdA:
undetectable
3aruA-4zpdA:
21.60
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.
5b3n ANTI-H4K20ME1_SCFV

(Mus musculus)
PF07686
(V-set)
4 TRP A 113
SER A  37
ALA A  35
HIS A 101
None
1.38A 3aruA-5b3nA:
6.3
3aruA-5b3nA:
19.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5df0 AC-CHIA

(Autographa
californica
multiple
nucleopolyhedrovirus)
PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N)
4 TRP A 157
SER A 200
HIS A 219
ASP A 220
None
0.44A 3aruA-5df0A:
54.6
3aruA-5df0A:
44.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fv0 ESSC

(Geobacillus
thermodenitrificans)
PF01580
(FtsK_SpoIIIE)
4 ASN A1036
SER A1037
ALA A1038
ASP A1105
ONA  A2480 ( 4.3A)
None
ONA  A2480 ( 4.0A)
ONA  A2480 (-3.3A)
1.24A 3aruA-5fv0A:
2.1
3aruA-5fv0A:
20.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gpr CHITINASE

(Ostrinia
furnacalis)
PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N)
5 TRP A 160
SER A 203
ALA A 206
HIS A 222
ASP A 223
TRP  A 160 ( 0.5A)
SER  A 203 ( 0.0A)
ALA  A 206 ( 0.0A)
HIS  A 222 ( 1.0A)
ASP  A 223 ( 0.5A)
0.57A 3aruA-5gprA:
56.0
3aruA-5gprA:
50.17
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.
5gtj DUAL SPECIFICITY
PROTEIN PHOSPHATASE
26


(Homo sapiens)
PF00782
(DSPc)
4 ASN A  78
ALA A  77
HIS A 151
ASP A  73
None
1.30A 3aruA-5gtjA:
undetectable
3aruA-5gtjA:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gvi UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 30


(Danio rerio)
PF00443
(UCH)
4 TRP A 465
ASN A  76
ALA A  73
HIS A 442
None
1.35A 3aruA-5gviA:
undetectable
3aruA-5gviA:
18.39
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.
5hcc COMPLEMENT C5

(Homo sapiens)
PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
4 TRP A1077
ASN A1121
SER A1122
ALA A1074
None
1.30A 3aruA-5hccA:
undetectable
3aruA-5hccA:
18.61
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.
5j1k TOXR-ACTIVATED GENE
(TAGE)


(Helicobacter
pylori)
PF01551
(Peptidase_M23)
4 ASN A 138
SER A 181
ALA A 182
HIS A 205
None
1.23A 3aruA-5j1kA:
undetectable
3aruA-5j1kA:
17.10
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.
5j1l TOXR-ACTIVATED GENE
(TAGE)


(Helicobacter
pylori)
PF01551
(Peptidase_M23)
4 ASN A 141
SER A 185
ALA A 186
HIS A 209
None
1.23A 3aruA-5j1lA:
undetectable
3aruA-5j1lA:
16.72
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.
5j1l TOXR-ACTIVATED GENE
(TAGE)


(Helicobacter
pylori)
PF01551
(Peptidase_M23)
4 ASN B 138
SER B 181
ALA B 182
HIS B 205
None
1.16A 3aruA-5j1lB:
undetectable
3aruA-5j1lB:
15.38
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.
5m2o GROUP I DOCKERIN
PUTATIVE
CELLULOSOMAL
SCAFFOLDIN PROTEIN


(Ruminococcus
flavefaciens)
PF00963
(Cohesin)
no annotation
4 SER B  40
ALA A  38
HIS A 121
ASP A  40
None
1.19A 3aruA-5m2oB:
undetectable
3aruA-5m2oB:
9.33
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.
5m2s DOC8: TYPE I
DOCKERIN REPEAT
DOMAIN FROM FAMILY 9
GLYCOSIDE HYDROLASE
WP_009982745[RUMINOC
OCCUS FLAVEFACIENS]
PUTATIVE
CELLULOSOMAL
SCAFFOLDIN PROTEIN


(Ruminococcus
flavefaciens)
no annotation 4 SER B  40
ALA A  39
HIS A 121
ASP A  41
None
1.18A 3aruA-5m2sB:
undetectable
3aruA-5m2sB:
10.27
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.
5mqc VP3

(Black queen
cell virus)
no annotation 4 ASN C 228
SER C 227
ALA C 221
HIS C 140
None
1.18A 3aruA-5mqcC:
undetectable
3aruA-5mqcC:
21.36
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.
5u8z CAROTENOID OXYGENASE
1


(Neurospora
crassa)
PF03055
(RPE65)
4 ASN A 152
ALA A 196
HIS A 248
ASP A 249
None
None
FE2  A 601 ( 3.4A)
None
1.18A 3aruA-5u8zA:
undetectable
3aruA-5u8zA:
23.22
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.
5uwz ALDEHYDE
DECARBONYLASE


(Gloeobacter
violaceus)
no annotation 4 ASN A  26
SER A  23
ALA A  27
ASP A  81
STE  A 303 (-4.0A)
None
None
None
1.19A 3aruA-5uwzA:
undetectable
3aruA-5uwzA:
8.70
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.
5wxu 11S GLOBULIN

(Wrightia
tinctoria)
no annotation 4 ASN A  99
ALA A 100
HIS A 184
ASP A  81
None
None
PO4  A 501 (-3.9A)
None
1.35A 3aruA-5wxuA:
undetectable
3aruA-5wxuA:
9.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zl9 CHITINASE AB

(Serratia
marcescens)
no annotation 5 TRP A 167
SER A 210
ALA A 213
HIS A 229
ASP A 230
GOL  A 707 (-4.0A)
GOL  A 707 (-3.2A)
None
GOL  A 707 (-3.7A)
None
0.29A 3aruA-5zl9A:
55.5
3aruA-5zl9A:
9.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bkv THIOREDOXIN

(Helicobacter
pylori)
no annotation 4 SER A  45
ALA A  44
HIS A   3
ASP A  41
None
1.27A 3aruA-6bkvA:
undetectable
3aruA-6bkvA:
9.52
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.
6ehn CARBOHYDRATE
ESTERASE MZ0003


(unidentified
prokaryotic
organism)
no annotation 4 ASN A 265
SER A 243
HIS A 384
ASP A 385
None
GOL  A 501 (-2.7A)
None
None
1.15A 3aruA-6ehnA:
undetectable
3aruA-6ehnA:
9.98
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.
6eon BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron)
no annotation 4 ASN A 708
ALA A 270
HIS A 267
ASP A 266
None
1.17A 3aruA-6eonA:
11.8
3aruA-6eonA:
21.31
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.
6fi2 VEXL

(Achromobacter
denitrificans)
no annotation 4 ASN A 310
SER A 259
ALA A 333
ASP A 330
None
1.08A 3aruA-6fi2A:
undetectable
3aruA-6fi2A:
8.75
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.
6gu8 -

(-)
no annotation 4 ASN A 279
SER A 257
HIS A 398
ASP A 399
None
PEG  A 511 (-2.4A)
PEG  A 509 ( 4.5A)
None
1.15A 3aruA-6gu8A:
undetectable
3aruA-6gu8A:
undetectable