SIMILAR PATTERNS OF AMINO ACIDS FOR 4HTF_A_SAMA301

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.
1aog TRYPANOTHIONE
REDUCTASE

(Trypanosoma
cruzi) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  14
GLY A  50
ALA A  20
VAL A  34
VAL A  32
 FAD  A 492 (-3.3A)
None
None
None
None
 0.99A 4htfA-1aogA:
3.7		 4htfA-1aogA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dl5 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01135
(PCMT) 		5 GLY A  83
GLY A  84
GLY A  85
SER A 109
VAL A 152
 SAH  A 699 (-3.2A)
SAH  A 699 (-4.2A)
SAH  A 699 (-3.5A)
None
SAH  A 699 (-4.1A)
 0.55A 4htfA-1dl5A:
8.8		 4htfA-1dl5A:
24.71
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.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 GLY A 244
GLY A 245
GLY A 265
SER A 176
TRP A 270
 None
None
None
PQQ  A 701 (-2.6A)
None
 0.94A 4htfA-1flgA:
undetectable		 4htfA-1flgA:
18.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fpq ISOLIQUIRITIGENIN
2'-O-METHYLTRANSFERA
SE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 219
GLY A 218
GLY A 217
HIS A 256
VAL A 244
 None
None
SAM  A1699 (-3.6A)
None
SAM  A1699 (-4.7A)
 0.87A 4htfA-1fpqA:
13.8		 4htfA-1fpqA:
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.
1fsu N-ACETYLGALACTOSAMIN
E-4-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase) 		6 GLY A 325
GLY A 324
GLY A 316
LEU A 321
GLN A  88
TRP A 319
 None
None
None
CL  A 605 ( 4.5A)
None
None
 1.21A 4htfA-1fsuA:
undetectable		 4htfA-1fsuA:
20.57
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.
1jcf ROD
SHAPE-DETERMINING
PROTEIN MREB

(Thermotoga
maritima) 		PF06723
(MreB_Mbl) 		5 GLY A 287
GLY A 286
GLY A 285
LEU A 293
VAL A 253
 None
 0.90A 4htfA-1jcfA:
undetectable		 4htfA-1jcfA:
23.16
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.
1jqe HISTAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF13489
(Methyltransf_23) 		5 GLY A  60
GLY A  61
GLY A  62
SER A  91
VAL A 148
 SAH  A 400 (-3.3A)
SAH  A 400 ( 4.1A)
SAH  A 400 (-3.2A)
SAH  A 400 (-4.7A)
SAH  A 400 ( 4.8A)
 0.54A 4htfA-1jqeA:
15.8		 4htfA-1jqeA:
22.63
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.
1mwz ZNTA

(Escherichia
coli) 		PF00403
(HMA) 		5 GLY A  12
LEU A  67
SER A  66
VAL A  22
VAL A  26
 None
 0.90A 4htfA-1mwzA:
undetectable		 4htfA-1mwzA:
15.79
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.
1qrr SULFOLIPID
BIOSYNTHESIS (SQD1)
PROTEIN

(Arabidopsis
thaliana) 		PF01370
(Epimerase) 		5 GLY A  14
GLY A   9
GLY A   8
LEU A 143
VAL A 212
 None
None
NAD  A 401 (-3.3A)
NAD  A 401 (-3.9A)
NAD  A 401 (-3.9A)
 0.97A 4htfA-1qrrA:
6.7		 4htfA-1qrrA:
20.45
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.
1uek 4-(CYTIDINE
5'-DIPHOSPHO)-2C-MET
HYL-D-ERYTHRITOL
KINASE

(Thermus
thermophilus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 ARG A 162
GLY A  94
GLY A  93
GLY A  92
ALA A  60
 None
 0.84A 4htfA-1uekA:
undetectable		 4htfA-1uekA:
22.94
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.
1x1e 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 GLY A  15
GLY A  10
GLY A   9
ALA A 211
VAL A 177
 None
 0.97A 4htfA-1x1eA:
6.6		 4htfA-1x1eA:
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.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 130
GLY A 129
GLY A 128
VAL A 156
VAL A  78
 None
 0.83A 4htfA-1xj5A:
12.3		 4htfA-1xj5A:
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.
1xpn HYPOTHETICAL PROTEIN
PA1324

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A  44
GLY A  43
GLY A  42
VAL A 158
VAL A 156
 None
 0.99A 4htfA-1xpnA:
undetectable		 4htfA-1xpnA:
23.88
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.
1zoq INTERFERON
REGULATORY FACTOR 3

(Homo sapiens) 		PF10401
(IRF-3) 		6 GLY A 271
GLY A 270
GLY A 269
LEU A 228
ALA A 273
VAL A 311
 None
 1.45A 4htfA-1zoqA:
undetectable		 4htfA-1zoqA:
20.34
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.
1zud ADENYLYLTRANSFERASE
THIF

(Escherichia
coli) 		PF00899
(ThiF) 		5 ARG 1 132
GLY 1  38
GLY 1  37
GLY 1  40
VAL 1 194
 None
 0.98A 4htfA-1zud1:
5.4		 4htfA-1zud1:
22.82
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.
2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN

(Thermotoga
maritima) 		PF08241
(Methyltransf_11) 		6 GLY A  50
GLY A  51
GLY A  52
SER A  73
ALA A  93
VAL A 112
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.8A)
SAI  A1300 (-3.5A)
SAI  A1300 (-4.7A)
SAI  A1300 (-3.5A)
SAI  A1300 (-3.9A)
 0.54A 4htfA-2avnA:
24.2		 4htfA-2avnA:
25.59
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.
2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN

(Thermotoga
maritima) 		PF08241
(Methyltransf_11) 		6 GLY A  50
GLY A  51
GLY A  52
SER A  73
VAL A 112
VAL A 116
 SAI  A1300 (-3.5A)
SAI  A1300 (-3.8A)
SAI  A1300 (-3.5A)
SAI  A1300 (-4.7A)
SAI  A1300 (-3.9A)
SAI  A1300 ( 4.0A)
 0.56A 4htfA-2avnA:
24.2		 4htfA-2avnA:
25.59
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.
2bwm PSATHYRELLA VELUTINA
LECTIN PVL

(Lacrymaria
velutina) 		PF13517
(VCBS) 		6 ARG A 167
GLY A 138
GLY A 137
LEU A 157
HIS A 116
VAL A 186
 None
None
None
None
SNG  A1404 (-3.9A)
None
 1.46A 4htfA-2bwmA:
undetectable		 4htfA-2bwmA:
19.65
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.
2c3d 2-OXOPROPYL-COM
REDUCTASE

(Xanthobacter
autotrophicus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  50
GLY A  51
GLY A  55
LEU A 180
VAL A 166
 FAD  A1524 (-3.4A)
FAD  A1524 ( 4.8A)
None
None
None
 0.97A 4htfA-2c3dA:
3.0		 4htfA-2c3dA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cgj L-RHAMNULOSE KINASE

(Escherichia
coli) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A 401
GLY A 402
GLY A 403
SER A 261
ALA A 241
 ADP  A1482 ( 3.9A)
ADP  A1482 (-3.2A)
ADP  A1482 (-3.9A)
None
None
 0.92A 4htfA-2cgjA:
undetectable		 4htfA-2cgjA:
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.
2eek TRYPSIN-1

(Gadus morhua) 		PF00089
(Trypsin) 		5 GLY A  18
GLY A  19
LEU A 160
SER A 159
VAL A 213
 None
 0.96A 4htfA-2eekA:
undetectable		 4htfA-2eekA:
21.55
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.
2ejv L-THREONINE
3-DEHYDROGENASE

(Thermus
thermophilus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 GLY A 120
GLY A  62
GLY A 114
LEU A  87
SER A  89
VAL A 125
 None
 1.39A 4htfA-2ejvA:
7.1		 4htfA-2ejvA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ewm (S)-1-PHENYLETHANOL
DEHYDROGENASE

(Azoarcus) 		PF13561
(adh_short_C2) 		5 GLY A  20
GLY A  15
GLY A  14
LEU A 139
VAL A 187
 None
None
NAD  A 257 (-3.3A)
NAD  A 257 ( 4.6A)
NAD  A 257 (-4.1A)
 0.93A 4htfA-2ewmA:
8.0		 4htfA-2ewmA:
18.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f9z CHEMOTAXIS PROTEIN
CHEC

(Thermotoga
maritima) 		PF04509
(CheC) 		5 GLY A  15
GLY A  18
LEU A 125
VAL A 168
VAL A 166
 None
 0.92A 4htfA-2f9zA:
undetectable		 4htfA-2f9zA:
19.51
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.
2fx5 LIPASE

(Pseudomonas
mendocina) 		no annotation 6 GLY A  55
GLY A 128
GLY A 131
LEU A  53
ALA A  81
HIS A 125
 None
 1.10A 4htfA-2fx5A:
undetectable		 4htfA-2fx5A:
20.07
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.
2jnv NIFU-LIKE PROTEIN 1,
CHLOROPLAST

(Oryza sativa) 		PF01106
(NifU) 		5 GLY A  96
GLY A  95
LEU A 112
ALA A  99
VAL A 147
 None
 0.97A 4htfA-2jnvA:
undetectable		 4htfA-2jnvA:
13.98
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.
2w1p AQUAPORIN PIP2-7
7


(Komagataella
pastoris) 		PF00230
(MIP) 		5 GLY A 163
GLY A 164
GLY A 165
SER A 167
ALA A 161
 None
None
None
BOG  A1275 (-2.6A)
None
 0.98A 4htfA-2w1pA:
undetectable		 4htfA-2w1pA:
20.58
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.
2wba TRYPANOTHIONE
REDUCTASE

(Trypanosoma
brucei) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  13
GLY A  49
ALA A  19
VAL A  33
VAL A  31
 FAD  A1491 (-3.3A)
None
None
None
None
 0.95A 4htfA-2wbaA:
2.5		 4htfA-2wbaA:
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.
3a77 INTERFERON
REGULATORY FACTOR 3

(Homo sapiens) 		PF10401
(IRF-3) 		6 GLY A 271
GLY A 270
GLY A 269
LEU A 228
ALA A 273
VAL A 311
 None
None
None
None
MPD  A3002 (-3.6A)
None
 1.34A 4htfA-3a77A:
undetectable		 4htfA-3a77A:
20.27
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.
3ak4 NADH-DEPENDENT
QUINUCLIDINONE
REDUCTASE

(Agrobacterium
tumefaciens) 		PF13561
(adh_short_C2) 		5 GLY A  22
GLY A  17
GLY A  16
ALA A 232
VAL A 189
 None
None
NAD  A 901 (-3.6A)
None
NAD  A 901 (-4.0A)
 0.91A 4htfA-3ak4A:
2.4		 4htfA-3ak4A:
22.62
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.
3cj1 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 2

(Rattus
norvegicus) 		PF01150
(GDA1_CD39) 		5 GLY A  81
GLY A  80
GLY A  79
ALA A  46
VAL A 143
 None
 0.91A 4htfA-3cj1A:
undetectable		 4htfA-3cj1A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g5t TRANS-ACONITATE
3-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF13847
(Methyltransf_31) 		5 GLY A  44
GLY A  46
LEU A  69
SER A  70
TRP A 125
 SAH  A 308 (-3.6A)
SAH  A 308 (-3.6A)
SAH  A 308 (-4.1A)
SAH  A 308 (-4.8A)
T8N  A 309 (-3.9A)
 0.56A 4htfA-3g5tA:
14.0		 4htfA-3g5tA:
22.63
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.
3gjy SPERMIDINE SYNTHASE

(Corynebacterium
glutamicum) 		no annotation 5 GLY A  94
GLY A  95
GLY A  96
LEU A 118
ALA A 145
 None
FMT  A 315 (-4.3A)
FMT  A 315 ( 4.2A)
None
None
 0.78A 4htfA-3gjyA:
12.8		 4htfA-3gjyA:
21.17
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.
3hfs ANTHOCYANIDIN
REDUCTASE

(Vitis vinifera) 		PF01370
(Epimerase) 		5 GLY A  16
GLY A  17
GLY A  19
ALA A  66
VAL A 113
 None
None
CL  A 339 ( 4.3A)
None
None
 0.98A 4htfA-3hfsA:
6.2		 4htfA-3hfsA:
20.34
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.
3hra ANKYRIN REPEAT
FAMILY PROTEIN

(Enterococcus
faecalis) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		5 GLY A 107
GLY A 106
SER A  72
ALA A  81
GLN A  82
 CL  A 202 (-3.5A)
None
None
None
None
 0.91A 4htfA-3hraA:
undetectable		 4htfA-3hraA:
23.45
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.
3htx HEN1

(Arabidopsis
thaliana) 		PF13847
(Methyltransf_31) 		5 ARG A 701
GLY A 721
GLY A 723
SER A 747
VAL A 797
 G  B  22 (-3.9A)
SAH  A 951 (-4.3A)
SAH  A 951 (-3.7A)
U  C   1 (-2.6A)
SAH  A 951 (-3.9A)
 0.49A 4htfA-3htxA:
16.0		 4htfA-3htxA:
14.44
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.
3iuu PUTATIVE
METALLOPEPTIDASE

(Chelativorans
sp. BNC1) 		PF07171
(MlrC_C)
PF07364
(DUF1485) 		5 GLY A  15
GLY A  72
GLY A  73
ALA A 106
VAL A 238
 None
 0.92A 4htfA-3iuuA:
3.3		 4htfA-3iuuA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kom TRANSKETOLASE

(Francisella
tularensis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY A 432
GLY A 433
LEU A 519
SER A 461
VAL A 364
 None
 0.97A 4htfA-3komA:
undetectable		 4htfA-3komA:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lda DNA REPAIR PROTEIN
RAD51

(Saccharomyces
cerevisiae) 		PF08423
(Rad51)
PF14520
(HHH_5) 		5 ARG A 154
GLY A 174
GLY A 173
GLY A 172
LEU A 167
 None
 0.91A 4htfA-3ldaA:
4.1		 4htfA-3ldaA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lda DNA REPAIR PROTEIN
RAD51

(Saccharomyces
cerevisiae) 		PF08423
(Rad51)
PF14520
(HHH_5) 		5 ARG A 154
GLY A 174
GLY A 173
GLY A 172
VAL A 322
 None
 0.81A 4htfA-3ldaA:
4.1		 4htfA-3ldaA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ljp CHOLINE OXIDASE

(Arthrobacter
globiformis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A  25
GLY A  22
SER A 211
VAL A  18
VAL A  40
 None
FDA  A 547 (-3.1A)
None
None
None
 0.87A 4htfA-3ljpA:
2.7		 4htfA-3ljpA:
19.51
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.
3p9c CAFFEIC ACID
O-METHYLTRANSFERASE

(Lolium perenne) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 207
GLY A 206
GLY A 205
HIS A 244
VAL A 232
 SAH  A 401 (-3.6A)
SAH  A 401 ( 4.0A)
SAH  A 401 (-3.8A)
None
None
 0.83A 4htfA-3p9cA:
14.3		 4htfA-3p9cA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u44 ATP-DEPENDENT
HELICASE/DEOXYRIBONU
CLEASE SUBUNIT B

(Bacillus
subtilis) 		PF12705
(PDDEXK_1) 		5 ARG B 253
GLY B 642
GLY B 643
LEU B 624
SER B 625
 None
 0.99A 4htfA-3u44B:
2.3		 4htfA-3u44B:
12.84
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.
3ugk SACCHAROPINE
DEHYDROGENASE [NAD+,
L-LYSINE-FORMING]

(Saccharomyces
cerevisiae) 		PF05222
(AlaDh_PNT_N) 		5 GLY A 136
SER A 207
ALA A 142
VAL A 278
VAL A 276
 None
 0.95A 4htfA-3ugkA:
2.6		 4htfA-3ugkA:
21.28
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.
3vc1 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E

(Streptomyces
coelicolor) 		PF08241
(Methyltransf_11) 		5 GLY A 105
GLY A 107
LEU A 128
SER A 129
VAL A 178
 SAH  A 302 (-3.4A)
SAH  A 302 (-3.3A)
SAH  A 302 (-4.1A)
None
None
 0.73A 4htfA-3vc1A:
16.7		 4htfA-3vc1A:
26.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a27 SYNAPTIC VESICLE
MEMBRANE PROTEIN
VAT-1 HOMOLOG-LIKE

(Homo sapiens) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 GLY A 194
GLY A 191
GLY A 190
VAL A 186
VAL A 184
 None
EDO  A1390 (-3.8A)
EDO  A1390 (-3.4A)
None
None
 0.90A 4htfA-4a27A:
6.3		 4htfA-4a27A:
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.
4b46 CELL DIVISION
PROTEIN FTSZ

(Haloferax
volcanii) 		PF00091
(Tubulin) 		5 GLY A  75
GLY A 114
GLY A 115
VAL A  68
VAL A  63
 None
 0.98A 4htfA-4b46A:
3.8		 4htfA-4b46A:
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.
4b67 L-ORNITHINE N5
MONOOXYGENASE

(Aspergillus
fumigatus) 		PF13434
(K_oxygenase) 		5 GLY A 211
GLY A 212
SER A 466
ALA A 209
TRP A  90
 FAD  A1492 (-3.1A)
None
None
FAD  A1492 (-4.8A)
FAD  A1492 (-4.4A)
 0.86A 4htfA-4b67A:
2.7		 4htfA-4b67A:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dpg LYSINE--TRNA LIGASE

(Homo sapiens) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ARG A 241
GLY A 130
LEU A 206
SER A 207
VAL A 101
 None
 0.98A 4htfA-4dpgA:
undetectable		 4htfA-4dpgA:
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.
4dvj PUTATIVE
ZINC-DEPENDENT
ALCOHOL
DEHYDROGENASE
PROTEIN

(Rhizobium etli) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 GLY A 185
GLY A 180
GLY A 179
SER A 245
ALA A 154
 None
 0.93A 4htfA-4dvjA:
8.7		 4htfA-4dvjA:
26.52
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.
4e4y SHORT CHAIN
DEHYDROGENASE FAMILY
PROTEIN

(Francisella
tularensis) 		PF13561
(adh_short_C2) 		5 GLY A  14
GLY A   9
GLY A   8
ALA A 213
VAL A 170
 None
 0.88A 4htfA-4e4yA:
4.3		 4htfA-4e4yA:
22.53
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.
4f0l AMIDOHYDROLASE

(Brucella
abortus) 		PF01979
(Amidohydro_1) 		6 ARG A 436
GLY A 433
GLY A 432
LEU A 394
HIS A 435
VAL A 422
 None
 1.25A 4htfA-4f0lA:
undetectable		 4htfA-4f0lA:
21.49
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.
4f85 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E

(Streptomyces
lasaliensis) 		PF02353
(CMAS) 		5 GLY A 113
GLY A 115
LEU A 136
SER A 137
VAL A 186
 None
 0.79A 4htfA-4f85A:
17.6		 4htfA-4f85A:
23.61
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.
4gvx 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Burkholderia
multivorans) 		PF13561
(adh_short_C2) 		5 GLY A  20
GLY A  15
GLY A  14
ALA A 225
VAL A 186
 None
None
NAP  A 301 (-3.2A)
None
NAP  A 301 (-3.8A)
 0.88A 4htfA-4gvxA:
7.4		 4htfA-4gvxA:
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.
4h0n DNMT2

(Spodoptera
frugiperda) 		PF00145
(DNA_methylase) 		6 GLY A  14
GLY A  13
GLY A  11
LEU A  73
ALA A  18
VAL A 318
 SAH  A 401 (-3.7A)
SAH  A 401 ( 4.4A)
SAH  A 401 (-3.3A)
None
None
SAH  A 401 (-4.4A)
 1.18A 4htfA-4h0nA:
8.2		 4htfA-4h0nA:
21.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4htf S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		12 ARG B  26
GLY B  52
GLY B  53
GLY B  54
LEU B  74
SER B  75
ALA B 102
GLN B 103
HIS B 119
VAL B 121
TRP B 124
VAL B 125
 SO4  B 302 ( 4.1A)
SAM  B 301 (-3.5A)
SAM  B 301 (-3.8A)
SAM  B 301 (-3.4A)
SAM  B 301 (-4.2A)
SAM  B 301 (-4.7A)
SAM  B 301 (-3.7A)
SAM  B 301 (-3.3A)
None
SAM  B 301 ( 4.3A)
None
None
 0.27A 4htfA-4htfB:
37.9		 4htfA-4htfB:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4htf S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		8 ARG B  26
GLY B  53
LEU B  74
SER B  75
GLN B 103
VAL B 121
TRP B 124
VAL B 125
 SO4  B 302 ( 4.1A)
SAM  B 301 (-3.8A)
SAM  B 301 (-4.2A)
SAM  B 301 (-4.7A)
SAM  B 301 (-3.3A)
SAM  B 301 ( 4.3A)
None
None
 1.08A 4htfA-4htfB:
37.9		 4htfA-4htfB:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4htf S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		8 ARG B  26
GLY B  54
LEU B  74
ALA B 102
GLN B 103
VAL B 121
TRP B 124
VAL B 125
 SO4  B 302 ( 4.1A)
SAM  B 301 (-3.4A)
SAM  B 301 (-4.2A)
SAM  B 301 (-3.7A)
SAM  B 301 (-3.3A)
SAM  B 301 ( 4.3A)
None
None
 0.94A 4htfA-4htfB:
37.9		 4htfA-4htfB:
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.
4i6j F-BOX/LRR-REPEAT
PROTEIN 3

(Homo sapiens) 		PF12937
(F-box-like) 		6 GLY B 384
GLY B 385
LEU B 361
SER B 362
ALA B 355
HIS B 415
 None
 1.33A 4htfA-4i6jB:
undetectable		 4htfA-4i6jB:
19.68
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		5 GLY A 232
GLY A 234
LEU A 255
SER A 256
ALA A 282
 SAH  A 501 (-3.6A)
SAH  A 501 (-3.6A)
SAH  A 501 (-4.3A)
SAH  A 501 (-4.5A)
SAH  A 501 (-3.6A)
 0.84A 4htfA-4ineA:
17.3		 4htfA-4ineA:
22.44
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.
4is2 BILE ACID 3-ALPHA
HYDROXYSTEROID
DEHYDROGENASE

([Clostridium]
scindens) 		PF00106
(adh_short) 		5 GLY A  19
GLY A  14
GLY A  13
ALA A 222
VAL A 190
 None
 0.89A 4htfA-4is2A:
7.1		 4htfA-4is2A:
24.93
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.
4j5u SERINE
HYDROXYMETHYLTRANSFE
RASE

(Rickettsia
rickettsii) 		PF00464
(SHMT) 		5 GLY A 340
LEU A 336
SER A 335
VAL A 409
VAL A 381
 None
 0.92A 4htfA-4j5uA:
undetectable		 4htfA-4j5uA:
23.63
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.
4kk2 MONOTERPENE SYNTHASE
FDS-5, CHLOROPLASTIC
- FARNESYL
DIPHOSPHATE SYNTHASE
1 CHIMERA

(Artemisia
spiciformis) 		PF00348
(polyprenyl_synt) 		6 ARG A 107
GLY A  56
LEU A  82
SER A  80
TRP A  88
VAL A 133
 None
 1.39A 4htfA-4kk2A:
undetectable		 4htfA-4kk2A:
24.00
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 GLY A 228
GLY A 230
LEU A 251
SER A 252
ALA A 278
 SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.4A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.7A)
 0.64A 4htfA-4kriA:
17.5		 4htfA-4kriA:
21.87
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.
4mgg MUCONATE LACTONIZING
ENZYME

(Labrenzia
aggregata) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 167
GLY A 168
ALA A 192
VAL A 206
VAL A 210
 None
 0.94A 4htfA-4mggA:
2.8		 4htfA-4mggA:
21.47
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.
4nec PUTATIVE
SAM-DEPENDENT
METHYLTRANSFERASE

(Streptomyces
lasaliensis) 		PF13649
(Methyltransf_25) 		5 GLY A  47
GLY A  49
LEU A  69
SER A  70
ALA A  95
 SAH  A 401 (-3.9A)
SAH  A 401 (-3.6A)
SAH  A 401 (-3.7A)
SAH  A 401 ( 4.8A)
SAH  A 401 (-3.2A)
 0.43A 4htfA-4necA:
16.1		 4htfA-4necA:
26.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4npc SORBITOL
DEHYDROGENASE

(Brucella suis) 		PF13561
(adh_short_C2) 		5 GLY A  29
GLY A  24
GLY A  23
LEU A 148
VAL A 196
 None
None
None
ACT  A 301 (-4.2A)
None
 0.89A 4htfA-4npcA:
7.2		 4htfA-4npcA:
23.57
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.
4nsy LYSYL ENDOPEPTIDASE

(Lysobacter
enzymogenes) 		PF13365
(Trypsin_2) 		5 GLY A 237
GLY A 238
LEU A 244
SER A 245
GLN A 208
 None
 0.88A 4htfA-4nsyA:
undetectable		 4htfA-4nsyA:
21.66
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.
4opu CONSERVED ARCHAEAL
PROTEIN

(Sulfolobus
acidocaldarius) 		PF01266
(DAO) 		5 GLY A  17
LEU A  24
ALA A 311
VAL A 154
VAL A 152
 None
 0.97A 4htfA-4opuA:
2.8		 4htfA-4opuA:
20.27
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.
4pgh CAFFEIC ACID
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 208
GLY A 207
GLY A 206
HIS A 245
VAL A 233
 SAM  A 401 ( 4.1A)
SAM  A 401 ( 3.9A)
SAM  A 401 (-3.8A)
None
SAM  A 401 ( 4.9A)
 0.92A 4htfA-4pghA:
15.3		 4htfA-4pghA:
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.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE

(Methylovorus
sp. MP688) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A  12
GLY A  13
GLY A  17
LEU A 264
VAL A 246
 FAD  A 700 (-3.2A)
FAD  A 700 ( 4.8A)
None
None
None
 0.90A 4htfA-4udrA:
undetectable		 4htfA-4udrA:
19.62
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.
4y4m PUTATIVE RIBOSE
1,5-BISPHOSPHATE
ISOMERASE

(Methanocaldococcus
jannaschii) 		PF01946
(Thi4) 		5 GLY A  72
GLY A  73
GLY A  74
SER A 114
ALA A 122
 None
48F  A 301 (-3.1A)
48F  A 301 (-3.9A)
None
None
 0.92A 4htfA-4y4mA:
undetectable		 4htfA-4y4mA:
25.16
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.
4y4n PUTATIVE RIBOSE
1,5-BISPHOSPHATE
ISOMERASE

(Methanotorris
igneus) 		PF01946
(Thi4) 		5 GLY A  65
GLY A  66
GLY A  67
SER A 109
ALA A 117
 None
48H  A 302 (-2.8A)
48H  A 302 (-3.8A)
None
None
 0.97A 4htfA-4y4nA:
2.7		 4htfA-4y4nA:
27.36
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.
4yzf BAND 3 ANION
TRANSPORT PROTEIN

(Homo sapiens) 		PF00955
(HCO3_cotransp) 		6 GLY A 711
GLY A 714
GLY A 713
LEU A 708
VAL A 501
VAL A 505
 None
 1.32A 4htfA-4yzfA:
undetectable		 4htfA-4yzfA:
14.12
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.
4z3k SEPIAPTERIN
REDUCTASE

(Homo sapiens) 		PF00106
(adh_short) 		5 GLY A  72
LEU A 131
SER A 127
VAL A  63
VAL A  35
 None
 0.97A 4htfA-4z3kA:
5.3		 4htfA-4z3kA:
26.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cm2 TRNA
METHYLTRANSFERASE

(Yarrowia
lipolytica) 		PF08241
(Methyltransf_11) 		5 GLY Z  64
GLY Z  66
SER Z  85
ALA Z 106
VAL Z 124
 None
 0.76A 4htfA-5cm2Z:
16.1		 4htfA-5cm2Z:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cvv (ISO)EUGENOL
O-METHYLTRANSFERASE

(Clarkia breweri) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 213
GLY A 212
GLY A 211
HIS A 250
VAL A 238
 SAH  A 401 ( 3.7A)
SAH  A 401 ( 4.2A)
SAH  A 401 (-3.8A)
None
None
 0.82A 4htfA-5cvvA:
13.6		 4htfA-5cvvA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5doo PROTEIN LYSINE
METHYLTRANSFERASE 2

(Rickettsia
typhi) 		PF10119
(MethyTransf_Reg)
PF13847
(Methyltransf_31) 		7 GLY A  51
GLY A  53
LEU A  75
SER A  76
HIS A 118
VAL A 120
VAL A 124
 None
 1.33A 4htfA-5dooA:
15.7		 4htfA-5dooA:
17.76
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.
5dpd PROTEIN LYSINE
METHYLTRANSFERASE 1

(Rickettsia
prowazekii) 		PF10119
(MethyTransf_Reg)
PF13847
(Methyltransf_31) 		6 GLY A  79
LEU A 103
SER A 104
HIS A 146
VAL A 148
VAL A 152
 SAM  A 601 (-3.8A)
SAM  A 601 (-4.2A)
SAM  A 601 (-4.9A)
SAM  A 601 (-3.8A)
None
None
 1.18A 4htfA-5dpdA:
15.7		 4htfA-5dpdA:
17.86
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.
5epe SAM-DEPENDENT
METHYLTRANSFERASE

(Thiobacillus
denitrificans) 		PF13847
(Methyltransf_31) 		5 GLY A  44
GLY A  46
LEU A  67
SER A  68
ALA A  95
 SAH  A 301 (-3.6A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.8A)
SAH  A 301 (-3.6A)
 0.52A 4htfA-5epeA:
13.0		 4htfA-5epeA:
26.60
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.
5fnu KELCH-LIKE
ECH-ASSOCIATED
PROTEIN 1

(Mus musculus) 		PF01344
(Kelch_1) 		5 GLY A 378
GLY A 379
SER A 431
ALA A 427
VAL A 465
 None
 0.97A 4htfA-5fnuA:
undetectable		 4htfA-5fnuA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jem INTERFERON
REGULATORY FACTOR 3

(Homo sapiens) 		PF10401
(IRF-3) 		6 GLY A 271
GLY A 270
GLY A 269
LEU A 228
ALA A 273
VAL A 311
 None
 1.44A 4htfA-5jemA:
undetectable		 4htfA-5jemA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kre LYSOPHOSPHOLIPASE-LI
KE PROTEIN 1

(Homo sapiens) 		PF02230
(Abhydrolase_2) 		6 GLY A 121
GLY A 122
GLY A 127
LEU A 133
VAL A 144
VAL A 141
 None
 1.48A 4htfA-5kreA:
undetectable		 4htfA-5kreA:
22.65
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.
5l2r FUMARATE HYDRATASE

(Leishmania
major) 		PF05681
(Fumerase)
PF05683
(Fumerase_C) 		5 GLY A 216
GLY A 215
GLY A 214
SER A 345
ALA A 250
 LMR  A 601 (-3.1A)
LMR  A 601 ( 4.3A)
SF4  A 608 (-3.4A)
None
LMR  A 602 ( 3.8A)
 0.97A 4htfA-5l2rA:
undetectable		 4htfA-5l2rA:
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.
5m58 C-METHYLTRANSFERASE
COUO

(Streptomyces
rishiriensis) 		PF13649
(Methyltransf_25) 		5 GLY A  49
LEU A  71
SER A  72
ALA A  97
GLN A  98
 SAH  A 301 (-3.3A)
SAH  A 301 (-3.9A)
SAH  A 301 (-4.6A)
SAH  A 301 (-3.8A)
SAH  A 301 ( 4.2A)
 0.74A 4htfA-5m58A:
15.7		 4htfA-5m58A:
22.68
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.
5mgz 8-DEMETHYLNOVOBIOCIC
ACID
C(8)-METHYLTRANSFERA
SE

(Streptomyces
niveus) 		PF13649
(Methyltransf_25) 		5 GLY A  49
LEU A  71
SER A  72
ALA A  97
GLN A  98
 SAH  A 301 (-3.4A)
SAH  A 301 (-3.8A)
SAH  A 301 (-4.6A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.1A)
 0.75A 4htfA-5mgzA:
15.7		 4htfA-5mgzA:
23.28
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.
5nd4 TUBULIN ALPHA CHAIN

(Bos taurus) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		6 GLY A 146
GLY A 144
GLY A 143
SER A 187
VAL A   9
VAL A 137
 GTP  A 500 ( 4.4A)
GTP  A 500 (-2.9A)
GTP  A 500 (-3.0A)
None
None
None
 1.25A 4htfA-5nd4A:
3.3		 4htfA-5nd4A:
21.96
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.
5nmw FLAVIN-CONTAINING
MONOOXYGENASE

(Zonocerus
variegatus) 		no annotation 5 GLY A  13
GLY A  10
LEU A 105
VAL A   6
VAL A  27
 None
FAD  A 500 (-3.3A)
None
None
None
 0.96A 4htfA-5nmwA:
3.0		 4htfA-5nmwA:
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.
5o3z SORBITOL-6-PHOSPHATE
DEHYDROGENASE

(Erwinia
amylovora) 		no annotation 5 GLY A   9
GLY A  10
GLY A  11
LEU A  34
ALA A  62
 None
 0.77A 4htfA-5o3zA:
2.3		 4htfA-5o3zA:
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.
5oc1 ARYL-ALCOHOL OXIDASE

(Pleurotus
eryngii) 		no annotation 5 GLY A  14
GLY A  11
SER A 210
VAL A   7
VAL A  29
 None
FAD  A 602 (-3.3A)
None
None
None
 0.87A 4htfA-5oc1A:
2.4		 4htfA-5oc1A:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5szr PROTEIN PCDHGB2

(Mus musculus) 		PF00028
(Cadherin) 		6 GLY A 594
GLY A 590
LEU A 574
SER A 575
VAL A 561
VAL A 532
 None
 1.47A 4htfA-5szrA:
undetectable		 4htfA-5szrA:
21.41
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.
5szr PROTEIN PCDHGB2

(Mus musculus) 		PF00028
(Cadherin) 		6 GLY A 594
GLY A 590
LEU A 574
SER A 575
VAL A 561
VAL A 532
 None
 1.50A 4htfA-5szrA:
undetectable		 4htfA-5szrA:
21.41
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.
5v57 SMOOTHENED
HOMOLOG,FLAVODOXIN,S
MOOTHENED HOMOLOG

(Desulfovibrio
vulgaris;
Homo sapiens) 		PF00258
(Flavodoxin_1)
PF01392
(Fz)
PF01534
(Frizzled) 		5 GLY A1045
GLY A1044
LEU A1078
SER A1077
ALA A1083
 None
 0.97A 4htfA-5v57A:
undetectable		 4htfA-5v57A:
17.15
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.
5vn5 2,2',3-TRIHYDROXY-3'
-METHOXY-5,5'-DICARB
OXYBIPHENYL
META-CLEAVAGE
COMPOUND HYDROLASE

(Sphingobium sp.
SYK-6) 		PF04909
(Amidohydro_2) 		5 GLY A 226
ALA A 201
HIS A 223
VAL A 221
VAL A 219
 None
 0.86A 4htfA-5vn5A:
undetectable		 4htfA-5vn5A:
20.17
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.
5wgc DAUNORUBICIN-DOXORUB
ICIN POLYKETIDE
SYNTHASE

(Streptomyces
peucetius) 		no annotation 5 GLY A 268
LEU A 264
ALA A 275
GLN A 241
VAL A 327
 None
None
AFY  A 401 (-3.6A)
None
AFY  A 401 ( 4.6A)
 0.97A 4htfA-5wgcA:
undetectable		 4htfA-5wgcA:
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.
5wmm NRPS

(Micromonospora
sp. ML1) 		no annotation 5 GLY A 542
GLY A 544
SER A 565
ALA A 593
VAL A 612
 SAH  A1002 (-3.7A)
SAH  A1002 (-3.4A)
SAH  A1002 ( 4.9A)
SAH  A1002 (-3.6A)
SAH  A1002 (-4.3A)
 0.55A 4htfA-5wmmA:
15.7		 4htfA-5wmmA:
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.
5wva SHORT-CHAIN
DEHYDROGENASE

(Serratia
marcescens) 		no annotation 5 GLY A  22
GLY A  17
GLY A  16
ALA A 222
VAL A 191
 None
 0.93A 4htfA-5wvaA:
2.6		 4htfA-5wvaA:
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT

(Komagataella
phaffii) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 GLY A 629
GLY A 628
GLY A 627
SER A 625
VAL A 618
 None
 0.83A 4htfA-5xogA:
undetectable		 4htfA-5xogA:
9.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6chd LYSINE--TRNA LIGASE

(Homo sapiens) 		no annotation 5 ARG A 241
GLY A 130
LEU A 206
SER A 207
VAL A 101
 None
 0.93A 4htfA-6chdA:
undetectable		 4htfA-6chdA:
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 GLY A 378
GLY A 379
SER A 431
ALA A 427
VAL A 465
 None
 0.98A 4htfA-6fmqA:
undetectable		 4htfA-6fmqA:
undetectable