SIMILAR PATTERNS OF AMINO ACIDS FOR 3DOU_A_SAMA1

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.
1b0k PROTEIN (ACONITASE)

(Sus scrofa) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		6 ALA A  79
GLY A 163
GLY A 182
GLY A 183
ILE A 150
ALA A  70
 None
 1.36A 3douA-1b0kA:
undetectable		 3douA-1b0kA:
13.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		8 ALA A  35
GLY A  59
PRO A  62
GLY A  63
GLY A  64
TRP A  65
LEU A  84
LYS A 164
 SAM  A 301 (-3.3A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.2A)
SAM  A 301 ( 3.9A)
 0.33A 3douA-1eizA:
26.9		 3douA-1eizA:
33.69
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.
1geu GLUTATHIONE
REDUCTASE

(Escherichia
coli) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		6 GLY A  39
SER A  14
GLY A  15
GLY A  16
ILE A  92
LYS A  36
 None
FAD  A 451 (-3.1A)
FAD  A 451 (-3.5A)
None
None
FAD  A 451 (-2.6A)
 1.27A 3douA-1geuA:
undetectable		 3douA-1geuA:
16.70
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.
1n61 CARBON MONOXIDE
DEHYDROGENASE MEDIUM
CHAIN

(Oligotropha
carboxidovorans) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 GLY C 113
GLY C  33
GLY C  34
ILE C 170
ALA C 116
 FAD  C3932 ( 4.9A)
FAD  C3932 (-3.4A)
FAD  C3932 (-3.2A)
None
None
 0.97A 3douA-1n61C:
undetectable		 3douA-1n61C:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p0n ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Bacillus
subtilis) 		PF01070
(FMN_dh) 		5 ALA A 256
SER A 237
GLY A 210
GLY A 209
ALA A 243
 None
 0.86A 3douA-1p0nA:
undetectable		 3douA-1p0nA:
22.88
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.
1p88 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli) 		PF00275
(EPSP_synthase) 		5 ALA A  95
GLY A 117
GLY A  93
ILE A 140
ALA A 103
 None
 0.90A 3douA-1p88A:
undetectable		 3douA-1p88A:
20.85
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.
1r6a GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  85
GLY A  86
TRP A  87
LYS A 181
 SAH  A 887 (-3.6A)
SAH  A 887 ( 4.3A)
SAH  A 887 (-3.3A)
SAH  A 887 (-3.5A)
None
 0.69A 3douA-1r6aA:
13.8		 3douA-1r6aA:
20.54
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.
1rc2 AQUAPORIN Z

(Escherichia
coli) 		no annotation 5 GLY B 198
GLY B 199
TRP B 200
LEU B  99
ALA B 117
 BGL  B 603 (-3.9A)
BGL  B 602 ( 3.8A)
None
None
None
 0.81A 3douA-1rc2B:
undetectable		 3douA-1rc2B:
24.39
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.
1tkc TRANSKETOLASE

(Saccharomyces
cerevisiae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY A 432
SER A 429
GLY A 427
GLY A 127
ALA A 433
 None
 0.90A 3douA-1tkcA:
undetectable		 3douA-1tkcA:
15.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u60 PROBABLE GLUTAMINASE
YBAS

(Escherichia
coli) 		PF04960
(Glutaminase) 		6 ALA A  27
SER A 280
PRO A 281
GLY A 264
GLY A 263
LEU A  21
 None
 1.35A 3douA-1u60A:
undetectable		 3douA-1u60A:
19.17
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.
1w5f CELL DIVISION
PROTEIN FTSZ

(Thermotoga
maritima) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 PRO A  85
GLY A 118
GLY A 117
LEU A  93
ILE A  99
 None
G2P  A 500 (-3.4A)
G2P  A 500 (-3.6A)
None
None
 0.97A 3douA-1w5fA:
4.8		 3douA-1w5fA:
20.67
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.
1xmp PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE

(Bacillus
anthracis) 		PF00731
(AIRC) 		5 GLY A 125
SER A 121
GLY A 120
ILE A  30
ALA A 128
 None
 0.97A 3douA-1xmpA:
undetectable		 3douA-1xmpA:
22.11
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.
1ys4 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		6 ALA A  38
GLY A  15
SER A  89
GLY A  12
LEU A  95
ALA A  41
 None
NAP  A 900 (-3.2A)
None
None
NAP  A 900 (-4.6A)
NAP  A 900 (-3.4A)
 1.28A 3douA-1ys4A:
4.2		 3douA-1ys4A:
17.60
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.
2a00 POTASSIUM-TRANSPORTI
NG ATPASE B CHAIN

(Escherichia
coli) 		no annotation 5 ALA A 407
GLY A 436
GLY A 410
GLY A 409
LEU A 440
 None
 0.94A 3douA-2a00A:
undetectable		 3douA-2a00A:
20.67
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.
2bcm F1845 FIMBRIAL
PROTEIN

(Escherichia
coli) 		no annotation 5 ALA B  87
GLY B 109
GLY B 110
LEU B  54
ALA B  57
 None
 0.85A 3douA-2bcmB:
undetectable		 3douA-2bcmB:
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.
2fnc MALTOSE ABC
TRANSPORTER,
PERIPLASMIC
MALTOSE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF13416
(SBP_bac_8) 		5 GLY A 149
GLY A 145
GLY A 144
LEU A 207
ALA A 136
 None
 0.82A 3douA-2fncA:
undetectable		 3douA-2fncA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ghb MALTOSE ABC
TRANSPORTER,
PERIPLASMIC
MALTOSE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF13416
(SBP_bac_8) 		5 GLY A 149
GLY A 145
GLY A 144
LEU A 207
ALA A 136
 None
 0.85A 3douA-2ghbA:
undetectable		 3douA-2ghbA:
20.73
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.
2gup ROK FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF00480
(ROK) 		5 ALA A 266
SER A 233
GLY A 232
GLY A 231
ILE A 190
 None
SUC  A 291 (-2.7A)
SUC  A 290 (-3.2A)
SUC  A 290 ( 4.5A)
None
 0.91A 3douA-2gupA:
undetectable		 3douA-2gupA:
18.97
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.
2jh3 RIBOSOMAL PROTEIN
S2-RELATED PROTEIN

(Deinococcus
radiodurans) 		PF01903
(CbiX) 		5 SER A  63
GLY A 105
GLY A 104
LEU A   1
ALA A  61
 None
 0.96A 3douA-2jh3A:
2.5		 3douA-2jh3A:
17.36
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.
2jz4 JASMONATE INDUCIBLE
PROTEIN ISOLOG

(Arabidopsis
thaliana) 		PF01419
(Jacalin) 		5 ALA A   6
GLY A  12
GLY A   9
GLY A   8
ALA A  13
 None
 0.95A 3douA-2jz4A:
undetectable		 3douA-2jz4A:
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.
2nv2 PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Bacillus
subtilis) 		PF01680
(SOR_SNZ) 		5 ALA A 212
GLY A 155
PRO A 152
GLY A 150
ALA A 216
 None
 0.95A 3douA-2nv2A:
undetectable		 3douA-2nv2A:
19.53
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.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		6 GLY A  30
PRO A  33
GLY A  34
TRP A  36
LEU A  63
LYS A 144
 SAM  A 201 (-3.5A)
SAM  A 201 (-3.4A)
SAM  A 201 (-3.7A)
SAM  A 201 (-3.9A)
SAM  A 201 (-4.2A)
SAM  A 201 (-3.5A)
 0.31A 3douA-2nyuA:
24.8		 3douA-2nyuA:
26.87
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.
2oby PUTATIVE QUINONE
OXIDOREDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 PRO A  91
GLY A  92
GLY A  93
LEU A 126
ILE A 121
 None
 0.95A 3douA-2obyA:
9.2		 3douA-2obyA:
17.75
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.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		6 GLY A  82
GLY A  86
GLY A  87
TRP A  88
LEU A 106
LYS A 184
 SAM  A 300 (-3.3A)
SAM  A 300 ( 4.6A)
SAM  A 300 (-3.2A)
SAM  A 300 (-3.8A)
SAM  A 300 (-4.2A)
SAM  A 300 ( 4.3A)
 0.67A 3douA-2oxtA:
14.5		 3douA-2oxtA:
18.15
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.
2oy0 METHYLTRANSFERASE

(West Nile virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  85
GLY A  86
TRP A  87
LYS A 182
 SAH  A 301 (-3.0A)
SAH  A 301 (-4.3A)
SAH  A 301 (-3.0A)
SAH  A 301 (-3.7A)
SAH  A 301 ( 4.9A)
 0.37A 3douA-2oy0A:
13.9		 3douA-2oy0A:
20.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2plw RIBOSOMAL RNA
METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
falciparum) 		PF01728
(FtsJ) 		6 ALA A   6
GLY A  30
PRO A  33
GLY A  34
ILE A 136
ALA A 114
 SAM  A 203 (-3.5A)
SAM  A 203 (-3.4A)
SAM  A 203 (-3.5A)
SAM  A 203 (-3.6A)
None
SAM  A 203 (-3.6A)
 1.38A 3douA-2plwA:
25.4		 3douA-2plwA:
31.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2plw RIBOSOMAL RNA
METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
falciparum) 		PF01728
(FtsJ) 		7 ALA A   6
GLY A  30
PRO A  33
GLY A  34
TRP A  36
ALA A 114
LYS A 153
 SAM  A 203 (-3.5A)
SAM  A 203 (-3.4A)
SAM  A 203 (-3.5A)
SAM  A 203 (-3.6A)
SAM  A 203 (-3.8A)
SAM  A 203 (-3.6A)
SAM  A 203 ( 4.1A)
 0.41A 3douA-2plwA:
25.4		 3douA-2plwA:
31.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2plw RIBOSOMAL RNA
METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
falciparum) 		PF01728
(FtsJ) 		6 ALA A   6
GLY A  30
PRO A  33
GLY A  34
TRP A  36
ILE A  72
 SAM  A 203 (-3.5A)
SAM  A 203 (-3.4A)
SAM  A 203 (-3.5A)
SAM  A 203 (-3.6A)
SAM  A 203 (-3.8A)
SAM  A 203 (-4.4A)
 0.66A 3douA-2plwA:
25.4		 3douA-2plwA:
31.55
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.
2px5 GENOME POLYPROTEIN
[CONTAINS: CAPSID
PROTEIN C (CORE
PROTEIN)
ENVELOPE PROTEIN M
(MATRIX PROTEIN)
MAJOR ENVELOPE
PROTEIN E
NON-STRUCTURAL
PROTEIN 1 (NS1)
NON-STRUCTURAL
PROTEIN 2A (NS2A)
FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT
NON-STRUCTURAL
PROTEIN 4A (NS4A)
NON-STRUCTURAL
PROTEIN 4B (NS4B)
RNA-DIRECTED RNA
POLYMERASE (EC
2.7.7.48) (NS5)]

(Murray Valley
encephalitis
virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  85
GLY A  86
TRP A  87
LYS A 182
 SAH  A 500 (-3.4A)
SAH  A 500 ( 4.6A)
SAH  A 500 (-3.2A)
SAH  A 500 (-3.4A)
None
 0.67A 3douA-2px5A:
14.1		 3douA-2px5A:
22.18
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.
2r6r CELL DIVISION
PROTEIN FTSZ

(Aquifex
aeolicus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 PRO 1  71
GLY 1 104
GLY 1 103
LEU 1  79
ILE 1  85
 None
GDP  1 339 (-3.4A)
GDP  1 339 (-3.6A)
None
None
 0.97A 3douA-2r6r1:
3.7		 3douA-2r6r1:
22.28
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.
2vaw CELL DIVISION
PROTEIN FTSZ

(Pseudomonas
aeruginosa) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 PRO A  75
GLY A 108
GLY A 107
LEU A  83
ILE A  89
 None
GDP  A1317 (-3.4A)
GDP  A1317 (-3.5A)
None
None
 0.87A 3douA-2vawA:
4.4		 3douA-2vawA:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y27 PHENYLACETATE-COENZY
ME A LIGASE

(Burkholderia
cenocepacia) 		PF00501
(AMP-binding)
PF14535
(AMP-binding_C_2) 		5 GLY A 150
GLY A 144
GLY A 143
LEU A 156
ALA A 118
 None
 0.84A 3douA-2y27A:
3.7		 3douA-2y27A:
19.72
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.
2zwk INTIMIN
PUTATIVE
TRANSLOCATED INTIMIN
RECEPTOR PROTEIN
(TRANSLOCATED
INTIMIN RECEPTOR
TIR)

(Escherichia
coli;
Escherichia
coli) 		PF02368
(Big_2)
PF07979
(Intimin_C)
PF03549
(Tir_receptor_M) 		5 ALA B  36
SER A 162
PRO A 173
GLY A 174
GLN A 120
 None
 0.97A 3douA-2zwkB:
undetectable		 3douA-2zwkB:
18.65
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.
3a28 L-2.3-BUTANEDIOL
DEHYDROGENASE

(Corynebacterium
glutamicum) 		no annotation 5 GLY C   9
GLY C  17
LEU C  34
GLN C  37
ALA C  89
 NAD  C4300 (-3.6A)
None
NAD  C4300 ( 4.4A)
NAD  C4300 (-4.2A)
NAD  C4300 ( 3.8A)
 0.86A 3douA-3a28C:
8.7		 3douA-3a28C:
20.61
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.
3a9g PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrobaculum
aerophilum) 		PF07995
(GSDH) 		5 GLY A 212
GLY A 248
GLY A 247
LEU A 254
ALA A 178
 None
 0.97A 3douA-3a9gA:
undetectable		 3douA-3a9gA:
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.
3c4q PREDICTED
GLYCOSYLTRANSFERASES

(Corynebacterium
glutamicum) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 GLY A 230
PRO A  16
GLY A  22
GLY A  23
ILE A 261
 UDP  A 600 ( 4.0A)
UDP  A 600 (-4.0A)
UDP  A 600 ( 3.8A)
UDP  A 600 (-3.2A)
None
 0.91A 3douA-3c4qA:
4.5		 3douA-3c4qA:
20.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		11 ALA A  22
GLY A  46
SER A  48
PRO A  49
GLY A  50
GLY A  51
TRP A  52
LEU A  68
ILE A  84
ALA A 112
LYS A 151
 SAM  A   1 (-3.3A)
SAM  A   1 (-3.5A)
SAM  A   1 (-4.5A)
SAM  A   1 (-3.5A)
SAM  A   1 (-3.8A)
SAM  A   1 (-3.2A)
SAM  A   1 (-4.0A)
SAM  A   1 (-4.2A)
SAM  A   1 (-3.9A)
SAM  A   1 (-3.7A)
SAM  A   1 (-3.5A)
 0.46A 3douA-3douA:
37.9		 3douA-3douA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		7 ALA A  22
SER A  47
GLY A  50
GLY A  51
LEU A  68
ILE A  84
ALA A 112
 SAM  A   1 (-3.3A)
None
SAM  A   1 (-3.8A)
SAM  A   1 (-3.2A)
SAM  A   1 (-4.2A)
SAM  A   1 (-3.9A)
SAM  A   1 (-3.7A)
 1.29A 3douA-3douA:
37.9		 3douA-3douA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		5 GLY A  46
GLY A  50
ILE A  84
ALA A 112
LYS A 151
 SAM  A   1 (-3.5A)
SAM  A   1 (-3.8A)
SAM  A   1 (-3.9A)
SAM  A   1 (-3.7A)
SAM  A   1 (-3.5A)
 0.94A 3douA-3douA:
37.9		 3douA-3douA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		6 GLY A  46
SER A  48
LEU A  68
GLN A  69
ILE A  84
ALA A 112
 SAM  A   1 (-3.5A)
SAM  A   1 (-4.5A)
SAM  A   1 (-4.2A)
None
SAM  A   1 (-3.9A)
SAM  A   1 (-3.7A)
 1.16A 3douA-3douA:
37.9		 3douA-3douA:
100.00
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.
3elu METHYLTRANSFERASE

(Wesselsbron
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 GLY A  81
GLY A  85
GLY A  86
TRP A  87
LEU A 105
 SAM  A4633 (-3.2A)
SAM  A4633 ( 4.3A)
SAM  A4633 (-3.4A)
SAM  A4633 (-3.5A)
SAM  A4633 (-4.1A)
 0.31A 3douA-3eluA:
14.0		 3douA-3eluA:
21.12
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.
3evc RNA-DIRECTED RNA
POLYMERASE NS5

(Yellow fever
virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  85
GLY A  86
TRP A  87
LEU A 105
 SAH  A 901 (-3.4A)
SAH  A 901 ( 4.4A)
SAH  A 901 (-3.1A)
SAH  A 901 (-3.6A)
SAH  A 901 (-4.0A)
 0.35A 3douA-3evcA:
14.5		 3douA-3evcA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fd0 PUTATIVE
CYSTATHIONINE
BETA-LYASE INVOLVED
IN ALUMINUM
RESISTANCE

(Listeria
innocua) 		PF06838
(Met_gamma_lyase) 		5 ALA A 286
GLY A 230
GLY A 390
LEU A 224
ALA A 279
 None
 0.87A 3douA-3fd0A:
3.2		 3douA-3fd0A:
18.48
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.
3gcz POLYPROTEIN

(Yokose virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  85
GLY A  86
TRP A  87
LEU A 105
 SAM  A4633 (-3.4A)
SAM  A4633 ( 4.3A)
SAM  A4633 (-3.2A)
SAM  A4633 (-3.6A)
SAM  A4633 (-4.0A)
 0.37A 3douA-3gczA:
14.7		 3douA-3gczA:
19.37
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.
3hno PYROPHOSPHATE-DEPEND
ENT
PHOSPHOFRUCTOKINASE

(Nitrosospira
multiformis) 		PF00365
(PFK) 		5 PRO A 276
GLY A 273
GLY A 272
ILE A 163
ALA A 295
 None
 0.96A 3douA-3hnoA:
undetectable		 3douA-3hnoA:
18.38
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.
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum) 		PF06838
(Met_gamma_lyase) 		5 ALA A 303
GLY A 247
GLY A 407
LEU A 241
ALA A 296
 None
 0.90A 3douA-3hvyA:
2.9		 3douA-3hvyA:
18.75
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.
3i16 ALUMINUM RESISTANCE
PROTEIN

(Clostridium
novyi) 		PF06838
(Met_gamma_lyase) 		5 ALA A 303
GLY A 247
GLY A 407
LEU A 241
ALA A 296
 None
 0.90A 3douA-3i16A:
3.3		 3douA-3i16A:
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.
3jzl PUTATIVE
CYSTATHIONINE
BETA-LYASE INVOLVED
IN ALUMINUM
RESISTANCE

(Listeria
monocytogenes) 		PF06838
(Met_gamma_lyase) 		5 ALA A 286
GLY A 230
GLY A 390
LEU A 224
ALA A 279
 None
 0.83A 3douA-3jzlA:
undetectable		 3douA-3jzlA:
16.50
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.
3lkz NON-STRUCTURAL
PROTEIN 5

(West Nile virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  85
GLY A  86
TRP A  87
LYS A 182
 SFG  A 301 (-3.5A)
SFG  A 301 ( 4.4A)
SFG  A 301 (-3.4A)
SFG  A 301 (-3.7A)
SFG  A 301 ( 4.1A)
 0.40A 3douA-3lkzA:
14.3		 3douA-3lkzA:
20.31
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.
3nlc UNCHARACTERIZED
PROTEIN VP0956

(Vibrio
parahaemolyticus) 		no annotation 5 ALA A 504
GLY A 106
GLY A 264
GLY A 507
ILE A 213
 None
FAD  A 601 (-3.3A)
FAD  A 601 (-3.2A)
None
None
 0.90A 3douA-3nlcA:
undetectable		 3douA-3nlcA:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rf2 30S RIBOSOMAL
PROTEIN S8

(Aquifex
aeolicus) 		PF00410
(Ribosomal_S8) 		5 ALA A 154
GLY A 147
SER A 143
GLY A 161
GLY A 160
 None
 0.92A 3douA-3rf2A:
2.3		 3douA-3rf2A:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N

(Escherichia
coli;
Escherichia
coli) 		no annotation
no annotation 		5 GLY N 215
PRO N 222
GLY L 601
LEU N 306
ILE N 250
 None
 0.87A 3douA-3rkoN:
undetectable		 3douA-3rkoN:
16.44
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.
3txa CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF00092
(VWA) 		5 ALA A 633
GLY A 622
GLY A 636
GLY A 635
GLN A 669
 None
 0.81A 3douA-3txaA:
undetectable		 3douA-3txaA:
12.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		6 ALA A  75
SER A  70
GLY A  72
GLY A  73
LEU A 317
ALA A  96
 None
 1.23A 3douA-3uboA:
3.3		 3douA-3uboA:
23.43
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.
3vn3 ANTIFREEZE PROTEIN

(Typhula
ishikariensis) 		PF11999
(DUF3494) 		5 ALA A 153
GLY A 182
GLY A 155
GLN A 216
ILE A 207
 None
 0.97A 3douA-3vn3A:
undetectable		 3douA-3vn3A:
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.
3vte TETRAHYDROCANNABINOL
IC ACID SYNTHASE

(Cannabis sativa) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ALA A 229
GLY A 239
GLY A 234
GLY A 233
ILE A  97
 None
 0.86A 3douA-3vteA:
undetectable		 3douA-3vteA:
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.
3vxc PUTATIVE
SUGAR-BINDING
LIPOPROTEIN

(Streptomyces
thermoviolaceus) 		PF01547
(SBP_bac_1) 		5 ALA A 269
GLY A 258
SER A 261
GLY A 200
GLY A 199
 None
 0.94A 3douA-3vxcA:
undetectable		 3douA-3vxcA:
17.23
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.
3vzb SPHINGOSINE KINASE 1

(Homo sapiens) 		PF00781
(DAGK_cat) 		5 ALA A  30
GLY A  80
GLY A 111
GLY A  26
LEU A 116
 None
None
SO4  A 402 (-3.3A)
SO4  A 402 (-3.3A)
None
 0.87A 3douA-3vzbA:
undetectable		 3douA-3vzbA:
16.85
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.
3zuy TRANSPORTER

(Neisseria
meningitidis) 		PF01758
(SBF) 		5 GLY A 267
GLY A 111
GLY A 110
ILE A  40
ALA A 270
 None
None
NA  A1311 (-3.6A)
None
None
 0.90A 3douA-3zuyA:
undetectable		 3douA-3zuyA:
21.81
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.
4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M

(Escherichia
coli) 		PF01728
(FtsJ) 		5 GLY A 219
PRO A 222
GLY A 223
GLY A 224
TRP A 225
 EDO  A1373 (-3.8A)
None
None
None
None
 0.50A 3douA-4aukA:
14.7		 3douA-4aukA:
21.22
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 GLY A 283
GLY A 139
GLY A 138
LEU A 187
ALA A 284
 None
 0.92A 3douA-4bz7A:
3.1		 3douA-4bz7A:
18.84
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.
4cak INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 ALA A 647
PRO A 610
GLY A 643
GLN A 611
ALA A 638
 None
NAG  B3453 (-4.6A)
NAG  B3452 (-2.8A)
NAG  B3453 (-3.8A)
NAG  B3453 (-2.5A)
 0.89A 3douA-4cakA:
undetectable		 3douA-4cakA:
10.12
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.
4dio NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA PART 1

(Sinorhizobium
meliloti) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 ALA A 352
GLY A  49
GLY A  73
LEU A 101
ALA A 360
 None
 0.95A 3douA-4dioA:
undetectable		 3douA-4dioA:
18.48
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.
4efi 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
SYNTHASE

(Paraburkholderia
xenovorans) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A  21
GLY A  83
GLY A  85
TRP A  86
LEU A 322
 None
 0.97A 3douA-4efiA:
undetectable		 3douA-4efiA:
18.41
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.
4emw COENZYME A DISULFIDE
REDUCTASE

(Staphylococcus
aureus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 279
GLY A  12
PRO A 113
GLY A 114
ALA A 302
 None
FAD  A 501 (-3.6A)
FAD  A 501 (-4.3A)
FAD  A 501 (-3.5A)
None
 0.78A 3douA-4emwA:
undetectable		 3douA-4emwA:
18.45
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.
4g6c BETA-HEXOSAMINIDASE
1

(Burkholderia
cenocepacia) 		PF00933
(Glyco_hydro_3) 		5 GLY A 164
SER A 161
GLY A 159
GLY A 107
ALA A 314
 None
 0.91A 3douA-4g6cA:
undetectable		 3douA-4g6cA:
17.51
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.
4gtn ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Acinetobacter
sp. ADP1) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 ALA A 349
GLY A 346
GLY A 347
ILE A 277
ALA A 317
 None
 0.73A 3douA-4gtnA:
undetectable		 3douA-4gtnA:
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.
4hvl MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
thermoresistibile) 		PF00082
(Peptidase_S8) 		5 GLY A 381
GLY A 371
GLY A 372
ILE A 383
ALA A 301
 None
 0.90A 3douA-4hvlA:
undetectable		 3douA-4hvlA:
17.68
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.
4iug BETA-GALACTOSIDASE A

(Aspergillus
oryzae) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 ALA A 100
GLY A 354
GLY A 146
GLY A 147
LEU A 800
 None
 0.80A 3douA-4iugA:
undetectable		 3douA-4iugA:
11.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m1z MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
smegmatis) 		PF00082
(Peptidase_S8) 		5 GLY A 381
GLY A 371
GLY A 372
ILE A 383
ALA A 301
 None
 0.90A 3douA-4m1zA:
undetectable		 3douA-4m1zA:
19.52
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.
4mtl PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21C

(Homo sapiens) 		PF10294
(Methyltransf_16) 		5 ALA A  95
GLY A 120
PRO A 123
GLY A 124
LEU A 142
 SAH  A1001 (-3.3A)
SAH  A1001 (-3.6A)
None
UNX  A1016 ( 2.9A)
SAH  A1001 (-4.2A)
 0.54A 3douA-4mtlA:
11.0		 3douA-4mtlA:
19.76
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.
4n49 CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1

(Homo sapiens) 		PF01728
(FtsJ) 		7 ALA A 236
PRO A 280
GLY A 281
GLY A 282
LEU A 302
ILE A 336
LYS A 404
 SAM  A 601 (-3.2A)
SAM  A 601 (-3.6A)
SAM  A 601 (-3.6A)
SAM  A 601 (-3.1A)
SAM  A 601 (-4.1A)
SAM  A 601 (-4.1A)
SAM  A 601 ( 4.1A)
 0.62A 3douA-4n49A:
16.0		 3douA-4n49A:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pdb 30S RIBOSOMAL
PROTEIN S8

(Bacillus
anthracis) 		PF00410
(Ribosomal_S8) 		5 ALA A 141
GLY A 134
SER A 130
GLY A 148
GLY A 147
 None
A  I  26 ( 3.5A)
A  I  26 ( 2.5A)
U  I  15 ( 4.1A)
C  I  16 ( 3.7A)
 0.87A 3douA-4pdbA:
undetectable		 3douA-4pdbA:
20.29
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.
4qi4 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C) 		5 GLY A 315
PRO A 243
GLY A 241
GLY A 240
ALA A 319
 None
None
None
FAD  A 901 (-3.9A)
None
 0.92A 3douA-4qi4A:
undetectable		 3douA-4qi4A:
16.07
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.
4qpp PROTEIN ARGININE
N-METHYLTRANSFERASE
6

(Homo sapiens) 		PF13649
(Methyltransf_25) 		5 ALA A  80
GLY A  73
PRO A 297
GLY A 298
GLY A 299
 None
 0.94A 3douA-4qppA:
7.1		 3douA-4qppA:
18.11
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.
4ucl RNA-DIRECTED RNA
POLYMERASE L

(Human
metapneumovirus) 		no annotation 5 GLY A1696
GLY A1700
LEU A1720
ALA A1780
LYS A1817
 None
 0.50A 3douA-4uclA:
9.4		 3douA-4uclA:
20.52
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.
4umv ZINC-TRANSPORTING
ATPASE

(Shigella sonnei) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 ALA A 224
GLY A 407
GLY A 421
GLY A 420
ALA A 410
 None
 0.87A 3douA-4umvA:
undetectable		 3douA-4umvA:
14.73
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.
4usp CCL2 LECTIN

(Coprinopsis
cinerea) 		no annotation 5 GLY A 135
GLY A 102
GLY A 101
GLN A 106
ALA A 131
 None
 0.76A 3douA-4uspA:
undetectable		 3douA-4uspA:
18.09
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.
4w6z ALCOHOL
DEHYDROGENASE 1

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  41
GLY A  65
GLY A 123
ILE A 317
ALA A 149
 None
 0.96A 3douA-4w6zA:
7.9		 3douA-4w6zA:
19.27
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.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		5 GLY A  42
SER A 421
GLY A 424
LEU A 417
ALA A 269
 NA  A 602 (-4.4A)
NA  A 602 ( 2.4A)
None
None
None
 0.92A 3douA-4xnuA:
undetectable		 3douA-4xnuA:
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.
4y18 BREAST CANCER TYPE 1
SUSCEPTIBILITY
PROTEIN

(Homo sapiens) 		PF00533
(BRCT) 		5 ALA A1752
GLY A1709
GLY A1710
LEU A1780
ILE A1766
 None
 0.85A 3douA-4y18A:
undetectable		 3douA-4y18A:
18.93
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.
4yhs MONOSACCHARIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT2 FAMILY

(Bradyrhizobium
sp. BTAi1) 		PF13407
(Peripla_BP_4) 		5 PRO A 191
GLY A 192
GLY A 223
LEU A 273
ILE A 290
 None
 0.97A 3douA-4yhsA:
3.0		 3douA-4yhsA:
19.27
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.
5dpd PROTEIN LYSINE
METHYLTRANSFERASE 1

(Rickettsia
prowazekii) 		PF10119
(MethyTransf_Reg)
PF13847
(Methyltransf_31) 		5 GLY A  79
GLY A  83
GLY A  84
LEU A 103
ILE A 130
 SAM  A 601 (-3.8A)
None
None
SAM  A 601 (-4.2A)
SAM  A 601 (-3.9A)
 0.65A 3douA-5dpdA:
10.7		 3douA-5dpdA:
15.47
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.
5fnu KELCH-LIKE
ECH-ASSOCIATED
PROTEIN 1

(Mus musculus) 		PF01344
(Kelch_1) 		5 ALA A 376
GLY A 603
SER A 363
GLY A 379
GLY A 378
 None
L6I  A1615 (-3.3A)
L6I  A1615 (-2.9A)
None
None
 0.92A 3douA-5fnuA:
undetectable		 3douA-5fnuA:
18.24
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.
5h6s AMIDASE

(Microbacterium
sp. HM58-2) 		PF01425
(Amidase) 		6 ALA A 123
GLY A 174
SER A 155
GLY A 157
GLY A 158
LEU A 176
 None
None
HDH  A 600 (-3.3A)
None
None
HDH  A 600 (-4.2A)
 1.20A 3douA-5h6sA:
undetectable		 3douA-5h6sA:
15.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ikb GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
4,GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
4

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		5 SER A 142
GLY A 140
GLY A 139
LEU A 211
ILE A 112
 KAI  A 301 (-2.6A)
KAI  A 301 (-3.6A)
GOL  A 302 (-4.3A)
None
None
 0.95A 3douA-5ikbA:
undetectable		 3douA-5ikbA:
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.
5ine PRE-GLYCOPROTEIN
POLYPROTEIN GP
COMPLEX

(Lymphocytic
choriomeningitis
mammarenavirus) 		PF00798
(Arena_glycoprot) 		5 ALA A 303
PRO A 281
GLY A 282
GLY A 283
ILE A 426
 None
 0.92A 3douA-5ineA:
undetectable		 3douA-5ineA:
16.40
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.
5kbw RIBOFLAVIN
TRANSPORTER RIBU

(Thermotoga
maritima) 		PF12822
(ECF_trnsprt) 		5 ALA A  43
SER A  86
GLY A  89
ALA A  81
LYS A  62
 None
 0.90A 3douA-5kbwA:
undetectable		 3douA-5kbwA:
22.33
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.
5ly9 VARIANT SURFACE
GLYCOPROTEIN MITAT
1.1

(Trypanosoma
brucei) 		PF00913
(Trypan_glycop) 		5 GLY A 188
SER A 119
GLY A 118
GLY A 117
ALA A 129
 None
 0.96A 3douA-5ly9A:
undetectable		 3douA-5ly9A:
18.38
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.
5m3q EUKARYOTIC
TRANSLATION
INITIATION FACTOR 6

(Chaetomium
thermophilum) 		PF01912
(eIF-6) 		5 GLY A  60
GLY A 195
GLY A 196
LEU A 104
ILE A  53
 GOL  A 304 (-4.3A)
GOL  A 304 (-3.9A)
None
None
None
 0.83A 3douA-5m3qA:
undetectable		 3douA-5m3qA:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mpt CITRININ POLYKETIDE
SYNTHASE

(Monascus
purpureus) 		PF08242
(Methyltransf_12) 		5 GLY A1992
GLY A1996
GLY A1997
LEU A2020
ILE A2045
 SAH  A2201 (-3.2A)
SAH  A2201 ( 4.3A)
SAH  A2201 (-3.5A)
SAH  A2201 (-3.7A)
SAH  A2201 (-3.8A)
 0.91A 3douA-5mptA:
9.8		 3douA-5mptA:
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.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 5 GLY A  81
GLY A  85
GLY A  86
TRP A  87
LYS A 182
 SAH  A1001 (-3.4A)
SAH  A1001 ( 4.3A)
SAH  A1001 (-3.3A)
SAH  A1001 (-3.5A)
None
 0.69A 3douA-5njuA:
13.7		 3douA-5njuA:
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 5 ALA A 229
GLY A 410
GLY A 444
GLY A 443
ALA A 234
 None
 0.95A 3douA-5nqdA:
3.4		 3douA-5nqdA:
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.
5o5j 30S RIBOSOMAL
PROTEIN S8

(Mycolicibacterium
smegmatis) 		PF00410
(Ribosomal_S8) 		5 ALA H 118
GLY H 111
SER H 107
GLY H 125
GLY H 124
 None
A  A 622 ( 4.3A)
A  A 622 ( 2.7A)
U  A 578 ( 4.3A)
U  A 579 ( 3.9A)
 0.86A 3douA-5o5jH:
undetectable		 3douA-5o5jH:
20.53
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.
5t3o RIBOSE-PHOSPHATE
PYROPHOSPHOKINASE

(Thermus
thermophilus) 		PF13793
(Pribosyltran_N)
PF14572
(Pribosyl_synth) 		5 ALA A  83
GLY A 121
GLY A  80
LEU A  72
ALA A 122
 None
 0.89A 3douA-5t3oA:
3.6		 3douA-5t3oA:
20.33
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.
5u3c CTP SYNTHASE

(Escherichia
coli) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 PRO A 350
GLY A 351
GLY A 352
ILE A 501
ALA A 385
 None
 0.97A 3douA-5u3cA:
undetectable		 3douA-5u3cA:
15.60
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 GLY A 265
GLY A 140
GLY A 139
LEU A 179
ALA A 266
 None
 0.90A 3douA-5vi6A:
3.8		 3douA-5vi6A:
18.72
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.
5wue UNCHARACTERIZED
PROTEIN

(Sulfolobus
acidocaldarius) 		PF03458
(UPF0126) 		6 GLY A  42
SER A  44
GLY A 135
GLY A 136
LEU A  39
ALA A  25
 None
 1.36A 3douA-5wueA:
undetectable		 3douA-5wueA:
20.33
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.
6fhs ARP5

(Chaetomium
thermophilum) 		no annotation 6 ALA J 239
GLY J 122
SER J 211
GLY J 234
GLY J 235
ALA J 121
 None
None
ATP  J 801 (-3.0A)
None
ATP  J 801 ( 3.7A)
None
 1.37A 3douA-6fhsJ:
2.1		 3douA-6fhsJ:
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.
6fmq -

(-) 		no annotation 5 ALA A 376
GLY A 603
SER A 363
GLY A 379
GLY A 378
 None
ACT  A 705 ( 3.8A)
ACT  A 705 ( 4.1A)
None
None
 0.94A 3douA-6fmqA:
undetectable		 3douA-6fmqA:
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.
1a27 17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		3 ASP A 112
ASP A 105
ASP A  68
 None
 0.79A 3douA-1a27A:
2.7		 3douA-1a27A:
18.03
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.
1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE

(Escherichia
coli) 		PF13561
(adh_short_C2) 		3 ASP A  42
ASP A  46
ASP A  68
 NAI  A 302 (-2.6A)
None
NAI  A 302 (-3.6A)
 0.78A 3douA-1ahiA:
8.9		 3douA-1ahiA:
21.82
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.
1amy 1,4-ALPHA-D-GLUCAN
GLUCANOHYDROLASE

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		3 ASP A 396
ASP A 302
ASP A 360
 None
 0.73A 3douA-1amyA:
undetectable		 3douA-1amyA:
19.85
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.
1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT

(Escherichia
coli) 		PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		3 ASP A 128
ASP A 121
ASP A 133
 None
None
K  A4019 ( 4.6A)
 0.79A 3douA-1c30A:
3.6		 3douA-1c30A:
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.
1ckm MRNA CAPPING ENZYME

(Paramecium
bursaria
Chlorella virus
1) 		PF01331
(mRNA_cap_enzyme)
PF03919
(mRNA_cap_C) 		3 ASP A  45
ASP A  49
ASP A  38
 None
 0.52A 3douA-1ckmA:
undetectable		 3douA-1ckmA:
21.45
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.
1d0n HORSE PLASMA
GELSOLIN

(Equus caballus) 		PF00626
(Gelsolin) 		3 ASP A 670
ASP A 687
ASP A 665
 None
 0.66A 3douA-1d0nA:
undetectable		 3douA-1d0nA:
13.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dbi AK.1 SERINE PROTEASE

(Bacillus sp.
Ak1) 		PF00082
(Peptidase_S8) 		3 ASP A  65
ASP A  61
ASP A  43
 CA  A 703 (-4.6A)
None
None
 0.74A 3douA-1dbiA:
undetectable		 3douA-1dbiA:
20.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		3 ASP A  83
ASP A  99
ASP A 124
 SAM  A 301 (-2.8A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.6A)
 0.15A 3douA-1eizA:
26.9		 3douA-1eizA:
33.69
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.
1ezw COENZYME
F420-DEPENDENT
N5,N10-METHYLENETETR
AHYDROMETHANOPTERIN
REDUCTASE

(Methanopyrus
kandleri) 		PF00296
(Bac_luciferase) 		3 ASP A 303
ASP A 239
ASP A 309
 None
 0.78A 3douA-1ezwA:
undetectable		 3douA-1ezwA:
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.
1ffv CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		3 ASP B 739
ASP B 449
ASP B 679
 None
 0.74A 3douA-1ffvB:
undetectable		 3douA-1ffvB:
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.
1ioo SF11-RNASE

(Nicotiana alata) 		PF00445
(Ribonuclease_T2) 		3 ASP A 113
ASP A 116
ASP A  62
 NAG  A 198 ( 3.5A)
NAG  A 197 (-3.7A)
XYP  A 200 ( 4.6A)
 0.76A 3douA-1iooA:
undetectable		 3douA-1iooA:
15.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lss TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKA
HOMOLOG

(Methanocaldococcus
jannaschii) 		PF02254
(TrkA_N) 		3 ASP A  30
ASP A  34
ASP A  51
 NAD  A1001 (-2.9A)
None
NAD  A1001 (-3.3A)
 0.61A 3douA-1lssA:
8.0		 3douA-1lssA:
21.65
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.
1mi8 DNAB INTEIN

(Synechocystis
sp. PCC 6803) 		PF14890
(Intein_splicing) 		3 ASP A  21
ASP A  24
ASP A   5
 None
 0.77A 3douA-1mi8A:
undetectable		 3douA-1mi8A:
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.
1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN

(Oligotropha
carboxidovorans) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		3 ASP B 745
ASP B 452
ASP B 685
 None
 0.73A 3douA-1n60B:
undetectable		 3douA-1n60B:
12.35
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.
1ne2 HYPOTHETICAL PROTEIN
TA1320

(Thermoplasma
acidophilum) 		PF06325
(PrmA) 		3 ASP A  78
ASP A  82
ASP A 100
 None
 0.63A 3douA-1ne2A:
12.9		 3douA-1ne2A:
23.71
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.
1nw5 MODIFICATION
METHYLASE RSRI

(Rhodobacter
sphaeroides) 		PF01555
(N6_N4_Mtase) 		3 ASP A 271
ASP A  46
ASP A  65
 SAM  A 401 (-2.9A)
SAM  A 401 (-3.6A)
SAM  A 401 (-3.3A)
 0.44A 3douA-1nw5A:
2.8		 3douA-1nw5A:
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.
1o9g RRNA
METHYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF11599
(AviRa) 		3 ASP A  84
ASP A 153
ASP A 175
 None
 0.71A 3douA-1o9gA:
10.6		 3douA-1o9gA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pp0 VOLVATOXIN A2

(Volvariella
volvacea) 		PF01338
(Bac_thur_toxin) 		3 ASP A  64
ASP A  61
ASP A  88
 None
 0.73A 3douA-1pp0A:
undetectable		 3douA-1pp0A:
22.83
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.
1qb4 PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Escherichia
coli) 		PF00311
(PEPcase) 		3 ASP A 510
ASP A 543
ASP A 482
 None
MN  A 885 (-3.0A)
None
 0.76A 3douA-1qb4A:
undetectable		 3douA-1qb4A:
12.46
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.
1sqg SUN PROTEIN

(Escherichia
coli) 		PF01029
(NusB)
PF01189
(Methyltr_RsmB-F) 		3 ASP A 277
ASP A 303
ASP A 322
 None
 0.61A 3douA-1sqgA:
10.2		 3douA-1sqgA:
17.17
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.
1sxj ACTIVATOR 1 95 KDA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF08519
(RFC1) 		3 ASP A 553
ASP A 583
ASP A 560
 None
 0.77A 3douA-1sxjA:
undetectable		 3douA-1sxjA:
15.53
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.
1taq TAQ DNA POLYMERASE

(Thermus
aquaticus) 		PF00476
(DNA_pol_A)
PF01367
(5_3_exonuc)
PF02739
(5_3_exonuc_N)
PF09281
(Taq-exonuc) 		3 ASP A 120
ASP A 251
ASP A 144
 None
 0.70A 3douA-1taqA:
undetectable		 3douA-1taqA:
11.39
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.
1tlf LAC REPRESSOR

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		3 ASP A 275
ASP A 292
ASP A 278
 None
 0.78A 3douA-1tlfA:
3.4		 3douA-1tlfA:
18.97
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.
1ve3 HYPOTHETICAL PROTEIN
PH0226

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		3 ASP A  67
ASP A  71
ASP A  93
 SAM  A 302 (-2.8A)
None
SAM  A 302 (-3.4A)
 0.62A 3douA-1ve3A:
11.9		 3douA-1ve3A:
21.12
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.
1vl5 UNKNOWN CONSERVED
PROTEIN BH2331

(Bacillus
halodurans) 		PF08241
(Methyltransf_11) 		3 ASP A  71
ASP A  75
ASP A  98
 None
 0.73A 3douA-1vl5A:
12.8		 3douA-1vl5A:
19.01
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.
1xkh FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 ASP A 509
ASP A 323
ASP A 501
 None
 0.66A 3douA-1xkhA:
undetectable		 3douA-1xkhA:
13.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xsz GUANINE NUCLEOTIDE
EXCHANGE PROTEIN

(Legionella
pneumophila) 		PF01369
(Sec7) 		3 ASP A 266
ASP A 239
ASP A 306
 None
 0.73A 3douA-1xszA:
undetectable		 3douA-1xszA:
18.16
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.
1yo6 PUTATIVE CARBONYL
REDUCTASE SNIFFER

(Caenorhabditis
elegans) 		PF00106
(adh_short) 		3 ASP A 192
ASP A 138
ASP A 189
 None
 0.67A 3douA-1yo6A:
9.5		 3douA-1yo6A:
19.60
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.
1yr2 PROLYL
OLIGOPEPTIDASE

(Novosphingobium
capsulatum) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		3 ASP A 172
ASP A 220
ASP A 278
 None
 0.75A 3douA-1yr2A:
2.6		 3douA-1yr2A:
14.04
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.
1z26 ARGONAUTE

(Pyrococcus
furiosus) 		PF02171
(Piwi)
PF12212
(PAZ_siRNAbind) 		3 ASP A 313
ASP A 310
ASP A 138
 None
 0.72A 3douA-1z26A:
2.3		 3douA-1z26A:
13.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z9a NAD(P)H-DEPENDENT
D-XYLOSE REDUCTASE

([Candida]
tenuis) 		PF00248
(Aldo_ket_red) 		3 ASP A  60
ASP A  67
ASP A 102
 None
 0.76A 3douA-1z9aA:
undetectable		 3douA-1z9aA:
18.02
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.
2b3t PROTEIN
METHYLTRANSFERASE
HEMK

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		3 ASP A 140
ASP A 144
ASP A 167
 SAH  A 300 (-3.1A)
None
SAH  A 300 (-3.0A)
 0.78A 3douA-2b3tA:
12.4		 3douA-2b3tA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b9e NOL1/NOP2/SUN DOMAIN
FAMILY, MEMBER 5
ISOFORM 2

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		3 ASP A 258
ASP A 285
ASP A 305
 SAM  A1201 (-2.6A)
SAM  A1201 (-3.6A)
SAM  A1201 (-3.7A)
 0.51A 3douA-2b9eA:
11.0		 3douA-2b9eA:
19.81
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.
2dul N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF02005
(TRM) 		3 ASP A  78
ASP A  82
ASP A 120
 None
 0.68A 3douA-2dulA:
9.9		 3douA-2dulA:
18.68
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.
2f8l HYPOTHETICAL PROTEIN
LMO1582

(Listeria
monocytogenes) 		PF02384
(N6_Mtase) 		3 ASP A 154
ASP A 180
ASP A 196
 SAM  A 400 (-2.7A)
SAM  A 400 (-3.4A)
SAM  A 400 (-3.7A)
 0.60A 3douA-2f8lA:
10.6		 3douA-2f8lA:
18.73
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.
2i3o GAMMA-GLUTAMYLTRANSF
ERASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF01019
(G_glu_transpept) 		3 ASP A 509
ASP A 505
ASP A 151
 None
 0.77A 3douA-2i3oA:
undetectable		 3douA-2i3oA:
17.41
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.
2iny HEXON PROTEIN

(Fowl
aviadenovirus A) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		3 ASP A 499
ASP A 898
ASP A 770
 None
 0.71A 3douA-2inyA:
undetectable		 3douA-2inyA:
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.
2nyu PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2

(Homo sapiens) 		PF01728
(FtsJ) 		3 ASP A  62
ASP A  79
ASP A 104
 SAM  A 201 (-2.8A)
SAM  A 201 (-3.3A)
SAM  A 201 (-3.7A)
 0.34A 3douA-2nyuA:
24.8		 3douA-2nyuA:
26.87
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.
2oka HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF10262
(Rdx) 		3 ASP A  83
ASP A  35
ASP A  87
 None
 0.66A 3douA-2okaA:
undetectable		 3douA-2okaA:
18.65
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.
2p1z PHOSPHORIBOSYLTRANSF
ERASE

(Corynebacterium
diphtheriae) 		PF00156
(Pribosyltran) 		3 ASP A 119
ASP A  34
ASP A  72
 None
 0.78A 3douA-2p1zA:
3.2		 3douA-2p1zA:
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.
2pg8 DPGC

(Streptomyces
toyocaensis) 		PF00378
(ECH_1) 		3 ASP A 195
ASP A 202
ASP A 249
 None
 0.68A 3douA-2pg8A:
undetectable		 3douA-2pg8A:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qvs CAMP-DEPENDENT
PROTEIN KINASE TYPE
II-ALPHA REGULATORY
SUBUNIT

(Mus musculus) 		PF00027
(cNMP_binding) 		3 ASP B 181
ASP B 197
ASP B 159
 ASP  B 181 ( 0.5A)
ASP  B 197 ( 0.6A)
ASP  B 159 ( 0.5A)
 0.70A 3douA-2qvsB:
undetectable		 3douA-2qvsB:
21.50
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.
2vrn PROTEASE I

(Deinococcus
radiodurans) 		PF01965
(DJ-1_PfpI) 		3 ASP A  77
ASP A 184
ASP A  75
 None
 0.69A 3douA-2vrnA:
undetectable		 3douA-2vrnA:
24.07
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.
2xmr PROTEIN NDRG2

(Homo sapiens) 		PF03096
(Ndr) 		3 ASP A 158
ASP A 228
ASP A 255
 None
 0.68A 3douA-2xmrA:
3.3		 3douA-2xmrA:
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.
2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		3 ASP A  99
ASP A 114
ASP A 130
 SAH  A1293 (-2.7A)
SAH  A1293 (-3.7A)
SAH  A1293 (-3.7A)
 0.34A 3douA-2xyqA:
13.1		 3douA-2xyqA:
23.00
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.
2yv2 SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Aeropyrum
pernix) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		3 ASP A  86
ASP A  93
ASP A 110
 None
 0.68A 3douA-2yv2A:
5.6		 3douA-2yv2A:
20.20
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.
2yxl 450AA LONG
HYPOTHETICAL FMU
PROTEIN

(Pyrococcus
horikoshii) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N) 		3 ASP A 291
ASP A 318
ASP A 337
 SFG  A5748 (-2.9A)
SFG  A5748 (-3.7A)
SFG  A5748 (-3.6A)
 0.49A 3douA-2yxlA:
10.4		 3douA-2yxlA:
20.05
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.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128) 		no annotation 3 ASP A  76
ASP A 139
ASP A  81
 None
 0.76A 3douA-3a0fA:
undetectable		 3douA-3a0fA:
13.32
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.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		3 ASP A 108
ASP A 140
ASP A 158
 MTA  A 315 (-3.3A)
MTA  A 315 (-3.9A)
MTA  A 315 (-4.9A)
 0.76A 3douA-3anxA:
10.4		 3douA-3anxA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b6v KINESIN-LIKE PROTEIN
KIF3C

(Homo sapiens) 		PF00225
(Kinesin) 		3 ASP A  65
ASP A  36
ASP A  72
 UNX  A1003 (-4.8A)
None
None
 0.53A 3douA-3b6vA:
undetectable		 3douA-3b6vA:
18.73
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.
3b9g IAG-NUCLEOSIDE
HYDROLASE

(Trypanosoma
vivax) 		PF01156
(IU_nuc_hydro) 		3 ASP A 272
ASP A 288
ASP A 276
 None
 0.74A 3douA-3b9gA:
3.2		 3douA-3b9gA:
20.48
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.
3bz5 INTERNALIN-J

(Listeria
monocytogenes) 		PF12799
(LRR_4) 		3 ASP A 404
ASP A 385
ASP A 447
 None
 0.75A 3douA-3bz5A:
undetectable		 3douA-3bz5A:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		3 ASP A 102
ASP A 130
ASP A 154
 SAH  A 464 (-2.8A)
SAH  A 464 (-4.1A)
CA  A 238 ( 2.2A)
 0.57A 3douA-3c3yA:
13.1		 3douA-3c3yA:
22.98
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.
3dli METHYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF13489
(Methyltransf_23) 		3 ASP A 311
ASP A 315
ASP A 330
 None
 0.70A 3douA-3dliA:
12.4		 3douA-3dliA:
23.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dou RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Thermoplasma
volcanium) 		PF01728
(FtsJ) 		3 ASP A  67
ASP A  83
ASP A 111
 SAM  A   1 (-2.7A)
SAM  A   1 (-3.6A)
SAM  A   1 (-3.7A)
 0.00A 3douA-3douA:
37.9		 3douA-3douA:
100.00
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.
3fok UNCHARACTERIZED
PROTEIN CGL0159

(Corynebacterium
glutamicum) 		no annotation 3 ASP A 298
ASP A  41
ASP A 289
 None
 0.63A 3douA-3fokA:
undetectable		 3douA-3fokA:
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.
3h87 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		PF01402
(RHH_1) 		3 ASP C  11
ASP C  18
ASP C   8
 None
 0.74A 3douA-3h87C:
undetectable		 3douA-3h87C:
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.
3hm7 ALLANTOINASE

(Bacillus
halodurans) 		PF01979
(Amidohydro_1) 		3 ASP A 437
ASP A 405
ASP A 394
 None
 0.64A 3douA-3hm7A:
undetectable		 3douA-3hm7A:
20.49
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.
3hwk METHYLCITRATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00285
(Citrate_synt) 		3 ASP A 158
ASP A 118
ASP A 345
 None
 0.78A 3douA-3hwkA:
undetectable		 3douA-3hwkA:
18.16
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.
3iv3 TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE 2

(Streptococcus
mutans) 		PF01791
(DeoC) 		3 ASP A 131
ASP A 135
ASP A 189
 None
 0.78A 3douA-3iv3A:
undetectable		 3douA-3iv3A:
19.88
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.
3j4r CAMP-DEPENDENT
PROTEIN KINASE TYPE
II-ALPHA REGULATORY
SUBUNIT

(Mus musculus) 		PF00027
(cNMP_binding)
PF02197
(RIIa) 		3 ASP B 183
ASP B 199
ASP B 161
 None
 0.71A 3douA-3j4rB:
undetectable		 3douA-3j4rB:
18.23
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.
3j9d OUTER CAPSID PROTEIN
VP2

(Bluetongue
virus) 		PF00898
(Orbi_VP2) 		3 ASP A 415
ASP A 543
ASP A 571
 None
 0.78A 3douA-3j9dA:
undetectable		 3douA-3j9dA:
12.46
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.
3k70 EXODEOXYRIBONUCLEASE
V BETA CHAIN

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF12705
(PDDEXK_1)
PF13361
(UvrD_C) 		3 ASP B 388
ASP B 426
ASP B 414
 None
 0.68A 3douA-3k70B:
2.5		 3douA-3k70B:
9.97
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.
3kz1 RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 11

(Homo sapiens) 		PF00621
(RhoGEF) 		3 ASP A 818
ASP A 911
ASP A 811
 None
 0.75A 3douA-3kz1A:
undetectable		 3douA-3kz1A:
18.28
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.
3l39 PUTATIVE PHOU-LIKE
PHOSPHATE REGULATORY
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF01865
(PhoU_div) 		3 ASP A  93
ASP A  61
ASP A  86
 None
 0.69A 3douA-3l39A:
undetectable		 3douA-3l39A:
24.17
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.
3ldf PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.776

(Streptococcus
mutans) 		PF10672
(Methyltrans_SAM) 		3 ASP A 242
ASP A 271
ASP A 292
 SAH  A 401 (-2.8A)
SAH  A 401 (-3.2A)
SAH  A 401 (-3.5A)
 0.69A 3douA-3ldfA:
11.8		 3douA-3ldfA:
18.86
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.
3lm7 PUTATIVE
4-HYDROXY-2-OXOGLUTA
RATE ALDOLASE /
2-DEHYDRO-3-DEOXYPHO
SPHOGLUCONATE
ALDOLASE

(Yersinia
enterocolitica) 		PF07071
(KDGP_aldolase) 		3 ASP A 233
ASP A 223
ASP A 194
 None
 0.77A 3douA-3lm7A:
undetectable		 3douA-3lm7A:
19.61
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.
3lvv GLUTAMATE--CYSTEINE
LIGASE

(Saccharomyces
cerevisiae) 		PF03074
(GCS) 		3 ASP A 166
ASP A  59
ASP A 172
 PGE  A 698 (-4.3A)
None
None
 0.66A 3douA-3lvvA:
undetectable		 3douA-3lvvA:
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.
3m0z PUTATIVE ALDOLASE

(Klebsiella
pneumoniae) 		PF07071
(KDGP_aldolase) 		3 ASP A 233
ASP A 223
ASP A 194
 None
 0.77A 3douA-3m0zA:
undetectable		 3douA-3m0zA:
22.87
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.
3mux PUTATIVE
4-HYDROXY-2-OXOGLUTA
RATE ALDOLASE

(Bacillus
anthracis) 		PF07071
(KDGP_aldolase) 		3 ASP A 235
ASP A 225
ASP A 196
 None
 0.78A 3douA-3muxA:
undetectable		 3douA-3muxA:
19.29
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.
3nzr 2-DEHYDRO-3-DEOXYPHO
SPHOGLUCONATE
ALDOLASE

(Aliivibrio
fischeri) 		PF07071
(KDGP_aldolase) 		3 ASP A 233
ASP A 223
ASP A 194
 None
None
MG  A 247 (-2.6A)
 0.77A 3douA-3nzrA:
undetectable		 3douA-3nzrA:
21.26
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.
3p4g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 3 ASP A 177
ASP A 196
ASP A 139
 None
None
MG  A 324 ( 2.9A)
 0.65A 3douA-3p4gA:
undetectable		 3douA-3p4gA:
20.12
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.
3qan 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE
1

(Bacillus
halodurans) 		PF00171
(Aldedh) 		3 ASP A 331
ASP A 334
ASP A 429
 None
 0.70A 3douA-3qanA:
2.9		 3douA-3qanA:
17.55
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.
3r24 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		3 ASP A  99
ASP A 114
ASP A 130
 SAM  A 302 (-2.6A)
SAM  A 302 (-3.4A)
SAM  A 302 (-3.6A)
 0.36A 3douA-3r24A:
13.3		 3douA-3r24A:
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.
3ssm METHYLTRANSFERASE

(Micromonospora
griseorubida) 		no annotation 3 ASP A 234
ASP A 252
ASP A 275
 SAH  A 601 (-2.8A)
SAH  A 601 (-3.6A)
MG  A 501 ( 2.8A)
 0.64A 3douA-3ssmA:
12.2		 3douA-3ssmA:
20.78
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.
3tdu DCN1-LIKE PROTEIN 1

(Homo sapiens) 		PF03556
(Cullin_binding) 		3 ASP A  91
ASP A  96
ASP A  84
 None
 0.57A 3douA-3tduA:
undetectable		 3douA-3tduA:
24.66
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.
3tos CALS11

(Micromonospora
echinospora) 		PF05711
(TylF) 		3 ASP A 107
ASP A 166
ASP A 189
 SAH  A 258 (-2.7A)
SAH  A 258 (-3.4A)
SAH  A 258 ( 3.6A)
 0.42A 3douA-3tosA:
9.6		 3douA-3tosA:
22.46
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.
3txo PROTEIN KINASE C ETA
TYPE

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		3 ASP A 440
ASP A 497
ASP A 645
 07U  A   1 (-3.9A)
07U  A   1 (-3.6A)
None
 0.76A 3douA-3txoA:
undetectable		 3douA-3txoA:
18.98
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.
3ulp SINGLE-STRAND
BINDING PROTEIN

(Plasmodium
falciparum) 		PF00436
(SSB) 		3 ASP A 138
ASP A 189
ASP A 143
 None
 0.66A 3douA-3ulpA:
undetectable		 3douA-3ulpA:
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.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L

(Escherichia
coli) 		PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM) 		3 ASP A 568
ASP A 597
ASP A 615
 SAM  A 802 (-2.9A)
SAM  A 802 (-3.5A)
None
 0.78A 3douA-3v8vA:
11.1		 3douA-3v8vA:
14.84
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.
3vse PUTATIVE
UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF10672
(Methyltrans_SAM) 		3 ASP A 243
ASP A 272
ASP A 293
 SAH  A 401 (-2.7A)
SAH  A 401 (-3.0A)
SAH  A 401 (-3.2A)
 0.73A 3douA-3vseA:
13.8		 3douA-3vseA:
17.33
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.
4aco CENTROMERE
DNA-BINDING PROTEIN
COMPLEX CBF3 SUBUNIT
A

(Saccharomyces
cerevisiae) 		PF16787
(NDC10_II) 		3 ASP A 312
ASP A 320
ASP A 456
 None
 0.75A 3douA-4acoA:
undetectable		 3douA-4acoA:
10.89
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.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		3 ASP A 231
ASP A 267
ASP A 255
 None
 0.72A 3douA-4c30A:
2.6		 3douA-4c30A:
15.49
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.
4crs SERINE/THREONINE-PRO
TEIN KINASE N2

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		3 ASP A 744
ASP A 800
ASP A 947
 AGS  A1985 (-4.0A)
AGS  A1985 ( 3.3A)
None
 0.77A 3douA-4crsA:
undetectable		 3douA-4crsA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ej0 ADP-L-GLYCERO-D-MANN
O-HEPTOSE-6-EPIMERAS
E

(Burkholderia
thailandensis) 		PF01370
(Epimerase) 		3 ASP A 214
ASP A 299
ASP A 220
 None
 0.78A 3douA-4ej0A:
5.9		 3douA-4ej0A:
20.63
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.
4fzv PUTATIVE
METHYLTRANSFERASE
NSUN4

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		3 ASP A 204
ASP A 237
ASP A 255
 SAM  A 401 (-2.9A)
SAM  A 401 (-3.5A)
SAM  A 401 (-3.7A)
 0.52A 3douA-4fzvA:
8.4		 3douA-4fzvA:
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.
4gao DCN1-LIKE PROTEIN 2

(Homo sapiens) 		PF03556
(Cullin_binding) 		3 ASP A  91
ASP A  96
ASP A  84
 None
 0.54A 3douA-4gaoA:
undetectable		 3douA-4gaoA:
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.
4gpg PROTEASE 1

(Achromobacter
lyticus) 		PF00089
(Trypsin) 		3 ASP A 259
ASP A  20
ASP A 135
 None
 0.76A 3douA-4gpgA:
undetectable		 3douA-4gpgA:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ife GENE 2 PROTEIN

(Shigella virus
Sf6) 		PF04466
(Terminase_3)
PF17288
(Terminase_3C) 		3 ASP A 244
ASP A 251
ASP A 298
 None
 0.69A 3douA-4ifeA:
4.1		 3douA-4ifeA:
17.00
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.
4mq0 PARKIA BIGLOBOSA
LECTIN (PBL)

(Parkia
biglobosa) 		PF01419
(Jacalin) 		3 ASP A 431
ASP A 311
ASP A 385
 MMA  A 502 (-3.1A)
None
None
 0.72A 3douA-4mq0A:
undetectable		 3douA-4mq0A:
16.59
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.
4n0n REPLICASE
POLYPROTEIN 1AB

(Equine
arteritis virus) 		PF01443
(Viral_helicase1) 		3 ASP A  80
ASP A 136
ASP A  73
 None
MG  A 509 (-2.8A)
None
 0.76A 3douA-4n0nA:
undetectable		 3douA-4n0nA:
15.57
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.
4qnl TAIL FIBER PROTEIN

(Escherichia
virus G7C) 		no annotation 3 ASP A 297
ASP A 358
ASP A 350
 None
 0.75A 3douA-4qnlA:
undetectable		 3douA-4qnlA:
12.43
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.
4qxd 3'(2'),5'-BISPHOSPHA
TE NUCLEOTIDASE,
PUTATIVE

(Entamoeba
histolytica) 		PF00459
(Inositol_P) 		3 ASP A  45
ASP A  70
ASP A 109
 PO4  A 301 ( 4.9A)
None
MG  A 304 ( 3.2A)
 0.77A 3douA-4qxdA:
undetectable		 3douA-4qxdA:
22.11
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.
4rl1 TYPE I POLYKETIDE
SYNTHASE AVES 1

(Streptomyces
avermitilis) 		PF00698
(Acyl_transf_1) 		3 ASP A  89
ASP A  86
ASP A  69
 None
 0.74A 3douA-4rl1A:
undetectable		 3douA-4rl1A:
18.04
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.
4trr PUTATIVE
D-BETA-HYDROXYBUTYRA
TE DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		3 ASP A  37
ASP A  41
ASP A  63
 None
 0.78A 3douA-4trrA:
9.4		 3douA-4trrA:
22.22
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.
4v1r ALPHA-1,6-MANNANASE

(Bacteroides
thetaiotaomicron) 		PF03663
(Glyco_hydro_76) 		3 ASP A 328
ASP A 330
ASP A 321
 None
 0.76A 3douA-4v1rA:
undetectable		 3douA-4v1rA:
18.45
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.
4wiw GLYCOSIDE HYDROLASE
FAMILY 18

(Desulfitobacterium
hafniense) 		PF00704
(Glyco_hydro_18) 		3 ASP A 464
ASP A 478
ASP A 467
 None
 0.66A 3douA-4wiwA:
undetectable		 3douA-4wiwA:
20.62
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.
4x4w CCA TRNA
NUCLEOTIDYLTRANSFERA
SE 1, MITOCHONDRIAL

(Homo sapiens) 		PF01743
(PolyA_pol)
PF12627
(PolyA_pol_RNAbd) 		3 ASP A 102
ASP A 121
ASP A 168
 None
 0.78A 3douA-4x4wA:
undetectable		 3douA-4x4wA:
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.
4xgn 3-HYDROXYACYL-COA
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00106
(adh_short) 		3 ASP A  36
ASP A  40
ASP A  57
 NAD  A 300 (-2.7A)
None
NAD  A 300 (-3.5A)
 0.79A 3douA-4xgnA:
8.8		 3douA-4xgnA:
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.
4xmv AMINOPEPTIDASE N

(Escherichia
coli) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		3 ASP A 427
ASP A 432
ASP A 420
 None
 0.53A 3douA-4xmvA:
undetectable		 3douA-4xmvA:
12.36