SIMILAR PATTERNS OF AMINO ACIDS FOR 3DOU_A_SAMA1_0

List of similar pattern of amino acids derived from ASSAM search

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

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