SIMILAR PATTERNS OF AMINO ACIDS FOR 1XDS_B_SAMB9635_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.
1dl5 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01135
(PCMT) 		5 GLY A  83
GLY A  84
GLY A  85
GLU A 107
ASP A 134
 SAH  A 699 (-3.2A)
SAH  A 699 (-4.2A)
SAH  A 699 (-3.5A)
SAH  A 699 (-2.9A)
SAH  A 699 (-3.5A)
 0.72A 1xdsB-1dl5A:
6.9		 1xdsB-1dl5A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dwu RIBOSOMAL PROTEIN L1

(Methanothermococcus
thermolithotrophicus) 		PF00687
(Ribosomal_L1) 		5 GLY A 127
GLY A 124
LEU A 119
PHE A 105
ASN A 100
 None
 1.17A 1xdsB-1dwuA:
undetectable		 1xdsB-1dwuA:
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.
1e3h GUANOSINE
PENTAPHOSPHATE
SYNTHETASE

(Streptomyces
antibioticus) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03726
(PNPase) 		5 GLY A 158
GLY A 157
LEU A 101
PRO A 105
ASP A 134
 None
None
None
None
SO4  A 903 (-3.8A)
 1.00A 1xdsB-1e3hA:
undetectable		 1xdsB-1e3hA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fp2 ISOFLAVONE
O-METHYLTRANSFERASE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		7 TRP A 151
GLY A 196
GLY A 197
GLY A 198
ASP A 239
ASN A 258
TRP A 259
 SAH  A1699 ( 3.8A)
SAH  A1699 (-3.8A)
SAH  A1699 ( 4.2A)
SAH  A1699 ( 3.9A)
SAH  A1699 (-3.8A)
HMO  A2000 (-3.1A)
None
 0.58A 1xdsB-1fp2A:
29.1		 1xdsB-1fp2A:
26.97
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.
1fpq ISOLIQUIRITIGENIN
2'-O-METHYLTRANSFERA
SE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		7 GLY A 217
GLY A 218
GLY A 219
LEU A 241
ASP A 260
ASN A 279
TRP A 280
 SAM  A1699 (-3.6A)
None
None
SAM  A1699 (-4.2A)
SAM  A1699 (-3.8A)
SAM  A1699 (-4.0A)
None
 0.45A 1xdsB-1fpqA:
20.4		 1xdsB-1fpqA:
26.10
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.
1hjo PROTEIN (HEAT-SHOCK
70KD PROTEIN)

(Homo sapiens) 		PF00012
(HSP70) 		5 GLY A 230
GLY A 202
GLY A 203
LEU A 228
ASN A 235
 ADP  A 383 (-3.2A)
ADP  A 383 (-3.2A)
None
None
None
 0.93A 1xdsB-1hjoA:
undetectable		 1xdsB-1hjoA:
25.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hww ALPHA-MANNOSIDASE II

(Drosophila
melanogaster) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		5 GLY A 185
GLY A 164
GLY A 163
PRO A 197
SER A 132
 None
 0.87A 1xdsB-1hwwA:
undetectable		 1xdsB-1hwwA:
17.01
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.
1kyw CAFFEIC ACID
3-O-METHYLTRANSFERAS
E

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 208
GLY A 209
GLY A 210
LEU A 232
ASP A 251
 None
 0.30A 1xdsB-1kywA:
25.0		 1xdsB-1kywA:
25.62
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.
1lvl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 156
GLY A 155
LEU A 152
PRO A 153
ASN A 240
 None
 1.12A 1xdsB-1lvlA:
2.6		 1xdsB-1lvlA:
24.80
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.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  82
GLY A  83
GLY A  84
GLU A 104
ASP A 141
 None
 0.68A 1xdsB-1mjfA:
11.5		 1xdsB-1mjfA:
20.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qzz ACLACINOMYCIN-10-HYD
ROXYLASE

(Streptomyces
purpurascens) 		PF00891
(Methyltransf_2) 		12 TRP A 146
GLY A 190
GLY A 191
GLY A 192
GLU A 213
LEU A 214
PRO A 217
ASP A 240
PHE A 241
SER A 255
ASN A 260
TRP A 261
 SAM  A 635 (-4.2A)
SAM  A 635 (-3.8A)
SAM  A 635 ( 3.2A)
SAM  A 635 (-3.5A)
SAM  A 635 (-2.9A)
SAM  A 635 (-4.2A)
SAM  A 635 (-4.6A)
SAM  A 635 (-3.7A)
SAM  A 635 (-3.4A)
SAM  A 635 ( 2.7A)
SAM  A 635 (-3.8A)
None
 0.38A 1xdsB-1qzzA:
38.9		 1xdsB-1qzzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qzz ACLACINOMYCIN-10-HYD
ROXYLASE

(Streptomyces
purpurascens) 		PF00891
(Methyltransf_2) 		8 TRP A 146
GLY A 191
GLU A 213
LEU A 214
ASP A 240
PHE A 241
ASN A 260
TRP A 261
 SAM  A 635 (-4.2A)
SAM  A 635 ( 3.2A)
SAM  A 635 (-2.9A)
SAM  A 635 (-4.2A)
SAM  A 635 (-3.7A)
SAM  A 635 (-3.4A)
SAM  A 635 (-3.8A)
None
 1.00A 1xdsB-1qzzA:
38.9		 1xdsB-1qzzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qzz ACLACINOMYCIN-10-HYD
ROXYLASE

(Streptomyces
purpurascens) 		PF00891
(Methyltransf_2) 		6 TRP A 146
GLY A 191
GLU A 213
LEU A 214
PRO A 217
SER A 255
 SAM  A 635 (-4.2A)
SAM  A 635 ( 3.2A)
SAM  A 635 (-2.9A)
SAM  A 635 (-4.2A)
SAM  A 635 (-4.6A)
SAM  A 635 ( 2.7A)
 1.11A 1xdsB-1qzzA:
38.9		 1xdsB-1qzzA:
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.
1u2v ACTIN-RELATED
PROTEIN 2

(Bos taurus) 		PF00022
(Actin) 		5 GLY B 256
GLY B 255
GLU B 257
LEU B 196
PHE B 259
 None
 1.12A 1xdsB-1u2vB:
undetectable		 1xdsB-1u2vB:
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.
1u60 PROBABLE GLUTAMINASE
YBAS

(Escherichia
coli) 		PF04960
(Glutaminase) 		5 GLY A 265
GLY A 264
GLY A 263
LEU A  64
SER A 280
 None
 0.87A 1xdsB-1u60A:
undetectable		 1xdsB-1u60A:
22.34
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		5 TRP A 313
GLY A 586
GLY A 572
GLY A 588
ASP A 578
 None
 0.94A 1xdsB-1ulvA:
undetectable		 1xdsB-1ulvA:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x1b CRTF-RELATED PROTEIN

(Chlorobaculum
tepidum) 		PF00891
(Methyltransf_2) 		5 GLY A 177
GLY A 178
GLY A 179
LEU A 201
ASP A 227
 SAH  A4261 (-3.8A)
SAH  A4261 ( 4.2A)
SAH  A4261 (-3.3A)
SAH  A4261 (-4.0A)
SAH  A4261 (-2.9A)
 0.50A 1xdsB-1x1bA:
14.6		 1xdsB-1x1bA:
26.98
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.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 128
GLY A 129
GLY A 130
GLU A 151
ASP A 182
 None
 0.53A 1xdsB-1xj5A:
11.7		 1xdsB-1xj5A:
24.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zb7 NEUROTOXIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 GLY A 238
GLY A 241
PRO A 182
ASP A 173
ASN A 157
 None
 1.15A 1xdsB-1zb7A:
undetectable		 1xdsB-1zb7A:
17.66
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.
1zgj ISOFLAVANONE
4'-O-METHYLTRANSFERA
SE'

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 207
GLY A 208
GLY A 209
ASP A 250
TRP A 270
 SAH  A3994 (-3.9A)
SAH  A3994 ( 4.3A)
SAH  A3994 ( 4.0A)
SAH  A3994 (-3.4A)
None
 0.47A 1xdsB-1zgjA:
4.0		 1xdsB-1zgjA:
29.08
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.
2bmy RIPENING-ASSOCIATED
PROTEIN

(Musa acuminata) 		PF01419
(Jacalin) 		5 GLY A 128
GLY A  15
GLY A  14
ASP A  19
PHE A  18
 None
 1.16A 1xdsB-2bmyA:
undetectable		 1xdsB-2bmyA:
17.40
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.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		5 GLY B 557
GLY B 558
GLY B 559
ASN B 660
TRP B 662
 None
 0.84A 1xdsB-2fffB:
undetectable		 1xdsB-2fffB:
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.
2ip2 PROBABLE
PHENAZINE-SPECIFIC
METHYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 GLY A 175
GLY A 176
GLY A 177
ASP A 225
SER A 240
 None
 0.43A 1xdsB-2ip2A:
24.9		 1xdsB-2ip2A:
28.11
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.
2j3t TRAFFICKING PROTEIN
PARTICLE COMPLEX
SUBUNIT 6A

(Homo sapiens) 		PF04051
(TRAPP) 		5 GLY B  39
GLY B  41
GLY B 125
GLU B  38
ASP B  22
 None
 1.16A 1xdsB-2j3tB:
undetectable		 1xdsB-2j3tB:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jch PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		5 GLY A 557
GLY A 558
GLY A 559
ASN A 660
TRP A 662
 None
 1.00A 1xdsB-2jchA:
undetectable		 1xdsB-2jchA:
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.
2jgr YEGS

(Escherichia
coli) 		PF00781
(DAGK_cat) 		5 GLY A 205
GLY A 206
GLY A 207
LEU A 210
ASN A 137
 None
 1.16A 1xdsB-2jgrA:
undetectable		 1xdsB-2jgrA:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lt3 TRANSCRIPTIONAL
REGULATOR, CARD
FAMILY

(Myxococcus
xanthus) 		no annotation 5 GLY A  75
GLU A  76
LEU A  66
ASP A  62
ASN A  38
 None
 1.11A 1xdsB-2lt3A:
undetectable		 1xdsB-2lt3A:
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.
2lwj TRANSCRIPTIONAL
REGULATOR, CARD
FAMILY

(Myxococcus
xanthus) 		PF02559
(CarD_CdnL_TRCF) 		5 GLY A 129
GLU A 130
LEU A 120
ASP A 116
ASN A  92
 None
 1.17A 1xdsB-2lwjA:
undetectable		 1xdsB-2lwjA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p1r LIPID KINASE YEGS

(Salmonella
enterica) 		PF00781
(DAGK_cat) 		5 GLY A 205
GLY A 206
GLY A 207
LEU A 210
ASN A 137
 None
 1.10A 1xdsB-2p1rA:
2.0		 1xdsB-2p1rA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 124
GLY A 125
GLY A 126
GLU A 147
ASP A 178
 S4M  A 501 (-3.4A)
S4M  A 501 (-4.2A)
S4M  A 501 ( 4.4A)
S4M  A 501 (-2.7A)
S4M  A 501 (-3.3A)
 0.80A 1xdsB-2pt6A:
7.0		 1xdsB-2pt6A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q7v THIOREDOXIN
REDUCTASE

(Deinococcus
radiodurans) 		PF07992
(Pyr_redox_2) 		5 GLY A  15
GLY A  16
GLU A  38
ASP A  85
ASN A 250
 FAD  A 348 (-3.3A)
FAD  A 348 ( 4.9A)
FAD  A 348 (-2.7A)
None
FAD  A 348 ( 4.1A)
 1.09A 1xdsB-2q7vA:
3.1		 1xdsB-2q7vA:
25.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qyo O-METHYLTRANSFERASE

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 201
GLY A 202
GLY A 203
ASP A 244
TRP A 264
 SAH  A 601 (-3.7A)
SAH  A 601 ( 4.3A)
SAH  A 601 ( 3.8A)
SAH  A 601 (-3.5A)
None
 0.30A 1xdsB-2qyoA:
22.0		 1xdsB-2qyoA:
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.
2vhd CYTOCHROME C551
PEROXIDASE

(Pseudomonas
aeruginosa) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		5 GLY A  61
GLY A  60
LEU A 163
PRO A 304
ASN A  52
 None
 0.91A 1xdsB-2vhdA:
undetectable		 1xdsB-2vhdA:
24.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  84
GLY A  85
GLY A  86
GLU A 107
ASP A 144
 None
AG3  A1001 ( 4.9A)
None
None
None
 0.75A 1xdsB-2zsuA:
11.8		 1xdsB-2zsuA:
20.66
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.
3bgf F26G19 FAB
F26G19 FAB

(Mus musculus;
Mus musculus) 		no annotation
no annotation 		5 GLY L 101
GLY L 100
GLY L  99
LEU H  45
SER L   7
 None
 1.12A 1xdsB-3bgfL:
undetectable		 1xdsB-3bgfL:
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.
3bkw S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE

(Mesorhizobium
japonicum) 		PF08241
(Methyltransf_11) 		5 GLY A  50
GLY A  52
LEU A  73
ASP A  96
SER A 113
 None
 0.93A 1xdsB-3bkwA:
15.8		 1xdsB-3bkwA:
21.90
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.
3c6m SPERMINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 198
GLY A 199
GLY A 200
GLU A 220
ASP A 255
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.9A)
MTA  A 401 (-3.7A)
MTA  A 401 (-2.5A)
MTA  A 401 (-3.6A)
 0.60A 1xdsB-3c6mA:
13.8		 1xdsB-3c6mA:
25.79
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.
3fe1 HEAT SHOCK 70 KDA
PROTEIN 6

(Homo sapiens) 		PF00012
(HSP70) 		5 GLY A 232
GLY A 204
GLY A 205
LEU A 230
ASN A 237
 ADP  A 386 (-3.3A)
ADP  A 386 (-3.2A)
None
None
None
 0.85A 1xdsB-3fe1A:
undetectable		 1xdsB-3fe1A:
25.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		8 TRP A 146
GLY A 190
GLY A 191
GLY A 192
GLU A 213
ASP A 240
PHE A 241
TRP A 261
 SAH  A 350 ( 4.0A)
SAH  A 350 (-4.1A)
SAH  A 350 (-3.6A)
SAH  A 350 (-3.6A)
SAH  A 350 (-2.9A)
SAH  A 350 (-3.4A)
SAH  A 350 (-3.6A)
None
 0.59A 1xdsB-3gxoA:
30.8		 1xdsB-3gxoA:
32.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		6 TRP A 146
GLY A 192
GLU A 213
ASP A 240
PHE A 241
TRP A 261
 SAH  A 350 ( 4.0A)
SAH  A 350 (-3.6A)
SAH  A 350 (-2.9A)
SAH  A 350 (-3.4A)
SAH  A 350 (-3.6A)
None
 1.06A 1xdsB-3gxoA:
30.8		 1xdsB-3gxoA:
32.24
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.
3hst PROTEIN
RV2228C/MT2287

(Mycobacterium
tuberculosis) 		PF13456
(RVT_3) 		6 GLY B   9
GLY B  52
LEU B 125
ASP B 128
SER B  74
ASN B 119
 None
 1.32A 1xdsB-3hstB:
undetectable		 1xdsB-3hstB:
17.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		9 TRP A 133
GLY A 177
GLY A 178
GLY A 179
LEU A 201
PRO A 204
PHE A 228
SER A 242
TRP A 248
 SAH  A 401 (-3.8A)
SAH  A 401 (-3.9A)
SAH  A 401 (-3.6A)
SAH  A 401 (-3.6A)
SAH  A 401 (-4.4A)
SAH  A 401 ( 4.7A)
SAH  A 401 (-3.4A)
SAH  A 401 (-2.8A)
None
 0.49A 1xdsB-3i58A:
30.9		 1xdsB-3i58A:
43.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		5 TRP A 133
GLY A 179
LEU A 201
PHE A 228
TRP A 248
 SAH  A 401 (-3.8A)
SAH  A 401 (-3.6A)
SAH  A 401 (-4.4A)
SAH  A 401 (-3.4A)
None
 1.01A 1xdsB-3i58A:
30.9		 1xdsB-3i58A:
43.13
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.
3l4i HEAT SHOCK 70
(HSP70) PROTEIN

(Cryptosporidium
parvum) 		PF00012
(HSP70) 		5 GLY A 246
GLY A 218
GLY A 219
LEU A 244
ASN A 251
 ADP  A 401 (-3.3A)
ADP  A 401 (-3.3A)
None
None
None
 0.88A 1xdsB-3l4iA:
undetectable		 1xdsB-3l4iA:
24.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lst CALO1
METHYLTRANSFERASE

(Micromonospora
echinospora) 		PF00891
(Methyltransf_2) 		7 GLY A 189
GLY A 190
GLY A 191
ASP A 237
PHE A 238
ASN A 256
TRP A 257
 SAH  A 346 (-4.0A)
SAH  A 346 (-3.6A)
SAH  A 346 ( 3.7A)
SAH  A 346 (-3.6A)
SAH  A 346 (-3.4A)
None
None
 0.41A 1xdsB-3lstA:
24.5		 1xdsB-3lstA:
34.37
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.
3m6x RRNA METHYLASE

(Thermus
thermophilus) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI) 		5 GLY A 184
GLY A 291
LEU A  25
PRO A 284
PHE A 186
 None
None
None
None
CXM  A   1 ( 4.9A)
 1.14A 1xdsB-3m6xA:
10.8		 1xdsB-3m6xA:
24.12
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.
3noq THIJ/PFPI FAMILY
PROTEIN

(Pseudomonas
fluorescens) 		PF01965
(DJ-1_PfpI) 		5 GLY A  73
GLY A  71
GLY A  70
ASP A  80
SER A  46
 None
NHE  A 501 (-2.7A)
NHE  A 501 ( 4.7A)
None
None
 0.91A 1xdsB-3noqA:
3.1		 1xdsB-3noqA:
23.24
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.
3noq THIJ/PFPI FAMILY
PROTEIN

(Pseudomonas
fluorescens) 		PF01965
(DJ-1_PfpI) 		5 GLY A  73
GLY A  71
GLY A  70
PRO A  69
ASP A  80
 None
NHE  A 501 (-2.7A)
NHE  A 501 ( 4.7A)
None
None
 1.17A 1xdsB-3noqA:
3.1		 1xdsB-3noqA:
23.24
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.
3o4f SPERMIDINE SYNTHASE

(Escherichia
coli) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  85
GLY A  86
GLY A  87
GLU A 108
ASP A 139
 None
 1.05A 1xdsB-3o4fA:
12.0		 1xdsB-3o4fA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o4f SPERMIDINE SYNTHASE

(Escherichia
coli) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  85
GLY A  86
GLY A  87
GLU A 108
ASP A 140
 None
 0.80A 1xdsB-3o4fA:
12.0		 1xdsB-3o4fA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o4r DEHYDROGENASE/REDUCT
ASE SDR FAMILY
MEMBER 4

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 GLY A 213
GLY A 271
GLY A 272
LEU A 242
SER A 276
 NAP  A 601 (-4.9A)
None
None
None
None
 1.04A 1xdsB-3o4rA:
8.1		 1xdsB-3o4rA:
23.81
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.
3p9c CAFFEIC ACID
O-METHYLTRANSFERASE

(Lolium perenne) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		6 GLY A 205
GLY A 206
GLY A 207
LEU A 229
ASP A 248
TRP A 268
 SAH  A 401 (-3.8A)
SAH  A 401 ( 4.0A)
SAH  A 401 (-3.6A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.6A)
None
 0.27A 1xdsB-3p9cA:
24.7		 1xdsB-3p9cA:
27.12
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT M

(Escherichia
coli) 		no annotation 5 GLY M 129
GLY M 126
GLY M 125
LEU M   6
PRO M  10
 None
 0.99A 1xdsB-3rkoM:
undetectable		 1xdsB-3rkoM:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 101
GLY A 102
GLY A 103
GLU A 124
ASP A 155
 DSH  A 303 (-3.4A)
DSH  A 303 ( 4.7A)
DSH  A 303 (-3.5A)
DSH  A 303 (-2.6A)
DSH  A 303 (-3.5A)
 0.79A 1xdsB-3rw9A:
11.1		 1xdsB-3rw9A:
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.
3tt0 BASIC FIBROBLAST
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 GLY A 697
GLY A 698
GLU A 692
LEU A 689
ASN A 568
 None
SO4  A   2 (-3.3A)
None
None
None
 1.09A 1xdsB-3tt0A:
undetectable		 1xdsB-3tt0A:
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.
3u9w LEUKOTRIENE A-4
HYDROLASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 GLY A1344
GLY A1345
GLY A1347
PHE A1340
ASN A1500
 IMD  A2009 (-4.1A)
None
IMD  A2009 (-3.5A)
None
IMD  A2010 (-3.7A)
 0.81A 1xdsB-3u9wA:
undetectable		 1xdsB-3u9wA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vov GLUCOKINASE

(Thermus
thermophilus) 		PF00480
(ROK) 		5 GLY A 175
GLY A 166
GLY A 165
GLU A 174
LEU A 173
 None
None
None
None
ZN  A 401 ( 4.9A)
 1.16A 1xdsB-3vovA:
undetectable		 1xdsB-3vovA:
25.58
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.
4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		6 GLY A 187
GLY A 188
GLY A 189
ASP A 236
PHE A 237
TRP A 257
 SAM  A1349 (-3.6A)
SAM  A1349 ( 4.0A)
SAM  A1349 ( 3.8A)
SAM  A1349 (-3.5A)
SAM  A1349 (-3.5A)
None
 0.61A 1xdsB-4a6eA:
28.5		 1xdsB-4a6eA:
26.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4d7k SAM-DEPENDENT
METHYLTRANSFERASES

(Streptomyces
davaonensis) 		PF00891
(Methyltransf_2) 		6 GLY A 186
GLY A 187
GLY A 188
ASP A 236
PHE A 237
TRP A 257
 None
 1.39A 1xdsB-4d7kA:
22.0		 1xdsB-4d7kA:
32.11
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.
4e9x MULTICOPPER OXIDASE

(uncultured
bacterium) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A1262
GLY A1263
ASP A1253
PHE A1168
SER A1149
 None
 1.05A 1xdsB-4e9xA:
undetectable		 1xdsB-4e9xA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4er6 HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		5 GLY A 163
GLY A 165
GLU A 186
ASP A 222
PHE A 223
 AW2  A 502 (-3.2A)
AW2  A 502 (-3.5A)
AW2  A 502 (-2.6A)
AW2  A 502 (-3.5A)
AW2  A 502 (-3.4A)
 0.82A 1xdsB-4er6A:
10.9		 1xdsB-4er6A:
24.78
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.
4er6 HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		5 GLY A 163
GLY A 165
GLU A 186
PRO A 191
ASP A 222
 AW2  A 502 (-3.2A)
AW2  A 502 (-3.5A)
AW2  A 502 (-2.6A)
AW2  A 502 ( 4.8A)
AW2  A 502 (-3.5A)
 0.82A 1xdsB-4er6A:
10.9		 1xdsB-4er6A:
24.78
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.
4evi CONIFERYL ALCOHOL
9-O-METHYLTRANSFERAS
E

(Linum
nodiflorum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 GLY A 208
GLY A 209
GLY A 210
LEU A 232
TRP A 273
 SAH  A 401 (-3.6A)
SAH  A 401 ( 3.9A)
SAH  A 401 ( 3.8A)
SAH  A 401 ( 4.4A)
None
 0.43A 1xdsB-4eviA:
26.8		 1xdsB-4eviA:
26.13
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.
4j8f HEAT SHOCK 70 KDA
PROTEIN 1A/1B,
HSC70-INTERACTING
PROTEIN

(Homo sapiens;
Rattus
norvegicus) 		PF00012
(HSP70) 		5 GLY A 230
GLY A 202
GLY A 203
LEU A 228
ASN A 235
 ADP  A 601 (-3.4A)
ADP  A 601 (-3.4A)
None
None
None
 0.88A 1xdsB-4j8fA:
undetectable		 1xdsB-4j8fA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j9v POTASSIUM UPTAKE
PROTEIN TRKA

(Vibrio
parahaemolyticus) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 GLY A 239
GLY A 240
GLU A 261
ASP A 283
ASN A 306
 AGS  A 502 (-3.3A)
AGS  A 502 ( 4.9A)
AGS  A 502 (-2.4A)
AGS  A 502 (-2.9A)
AGS  A 502 (-2.8A)
 1.08A 1xdsB-4j9vA:
7.4		 1xdsB-4j9vA:
26.07
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.
4kpu ELECTRON TRANSFER
FLAVOPROTEIN
ALPHA/BETA-SUBUNIT

(Acidaminococcus
fermentans) 		PF01012
(ETF) 		5 GLY B 218
LEU B 211
PHE B  89
SER B  98
ASN B 103
 None
 1.01A 1xdsB-4kpuB:
undetectable		 1xdsB-4kpuB:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kvf RHAMNOSE ABC
TRANSPORTER,
PERIPLASMIC
RHAMNOSE-BINDING
PROTEIN

(Kribbella
flavida) 		PF13407
(Peripla_BP_4) 		5 GLY A 306
GLY A  82
GLY A  80
ASP A 149
ASN A 301
 None
 1.01A 1xdsB-4kvfA:
2.9		 1xdsB-4kvfA:
21.83
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.
4n7w TRANSPORTER,
SODIUM/BILE ACID
SYMPORTER FAMILY

(Yersinia
frederiksenii) 		PF01758
(SBF) 		5 GLY A 238
GLY A 237
GLY A 234
ASP A 244
PHE A 243
 None
 1.15A 1xdsB-4n7wA:
undetectable		 1xdsB-4n7wA:
23.37
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 GLY A 429
GLY A 428
GLY A 402
ASP A 432
ASN A 476
 None
 1.16A 1xdsB-4om9A:
undetectable		 1xdsB-4om9A:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pgh CAFFEIC ACID
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		6 GLY A 206
GLY A 207
GLY A 208
LEU A 230
ASP A 249
TRP A 269
 SAM  A 401 (-3.8A)
SAM  A 401 ( 3.9A)
SAM  A 401 ( 4.1A)
SAM  A 401 (-4.3A)
SAM  A 401 (-3.2A)
None
 0.42A 1xdsB-4pghA:
24.8		 1xdsB-4pghA:
27.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qvg SIBL

(Streptosporangium
sibiricum) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 GLY A 178
GLY A 179
GLY A 180
ASP A 228
TRP A 250
 None
 0.51A 1xdsB-4qvgA:
23.1		 1xdsB-4qvgA:
30.40
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.
4r70 BACTERIOPHYTOCHROME
(LIGHT-REGULATED
SIGNAL TRANSDUCTION
HISTIDINE KINASE),
PHYB2

(Rhodopseudomonas
palustris) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		5 GLY A 462
GLY A 463
ASP A 209
PHE A 210
SER A 483
 None
 1.16A 1xdsB-4r70A:
undetectable		 1xdsB-4r70A:
23.66
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.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 124
GLY A 125
GLY A 126
GLU A 147
ASP A 178
 MTA  A 401 (-3.5A)
MTA  A 401 (-3.8A)
MTA  A 401 ( 4.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
 0.76A 1xdsB-4uoeA:
10.9		 1xdsB-4uoeA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y6o NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2

(Homo sapiens) 		PF02146
(SIR2) 		5 GLY A 305
GLY A 304
ASP A 310
PHE A 309
ASN A 286
 None
 0.91A 1xdsB-4y6oA:
4.4		 1xdsB-4y6oA:
21.09
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.
4z42 UREASE SUBUNIT BETA
UREASE SUBUNIT ALPHA

(Yersinia
enterocolitica;
Yersinia
enterocolitica) 		PF00699
(Urease_beta)
PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 GLY B  39
GLY B  38
ASP C 401
PHE C  29
ASN B  34
 None
 1.16A 1xdsB-4z42B:
undetectable		 1xdsB-4z42B:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cvv (ISO)EUGENOL
O-METHYLTRANSFERASE

(Clarkia breweri) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		7 TRP A 166
GLY A 211
GLY A 212
GLY A 213
LEU A 235
ASP A 254
TRP A 274
 SAH  A 401 ( 3.6A)
SAH  A 401 (-3.8A)
SAH  A 401 ( 4.2A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.5A)
None
 0.51A 1xdsB-5cvvA:
26.8		 1xdsB-5cvvA:
25.00
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.
5di0 NATTERIN-LIKE
PROTEIN

(Danio rerio) 		PF03318
(ETX_MTX2) 		5 GLY A 130
GLY A  15
GLY A  14
PHE A  18
SER A 132
 PEG  A 406 (-3.5A)
PGE  A 413 ( 4.9A)
None
PEG  A 406 (-4.9A)
PGE  A 413 (-3.5A)
 1.09A 1xdsB-5di0A:
undetectable		 1xdsB-5di0A:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		5 GLY A 163
GLY A 165
GLU A 186
ASP A 222
PHE A 223
 None
 0.78A 1xdsB-5dtrA:
10.7		 1xdsB-5dtrA:
24.46
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.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		5 GLY A 163
GLY A 165
GLU A 186
PRO A 191
ASP A 222
 None
 0.75A 1xdsB-5dtrA:
10.7		 1xdsB-5dtrA:
24.46
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.
5ee7 GLUCAGON
RECEPTOR,ENDOLYSIN,G
LUCAGON RECEPTOR

(Homo sapiens;
Escherichia
virus T4) 		PF00002
(7tm_2)
PF00959
(Phage_lysozyme) 		5 GLY A 164
GLY A 165
LEU A 160
SER A 167
ASN A 174
 None
None
OLA  A1207 ( 4.0A)
None
None
 1.06A 1xdsB-5ee7A:
undetectable		 1xdsB-5ee7A:
22.86
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.
5fif CARBOXYLASE

(Deinococcus
radiodurans) 		PF01039
(Carboxyl_trans) 		5 GLY A 160
GLY A 159
GLY A 158
LEU A 206
ASN A 134
 None
 1.07A 1xdsB-5fifA:
undetectable		 1xdsB-5fifA:
25.69
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.
5fpn HEAT SHOCK-RELATED
70 KDA PROTEIN 2

(Homo sapiens) 		PF00012
(HSP70) 		5 GLY A 232
GLY A 204
GLY A 205
LEU A 230
ASN A 237
 None
 0.94A 1xdsB-5fpnA:
undetectable		 1xdsB-5fpnA:
19.94
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.
5i2h O-METHYLTRANSFERASE
FAMILY 2

(Planctopirus
limnophila) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 GLY A 202
GLY A 203
ASP A 251
SER A 266
TRP A 272
 None
None
EDO  A 504 (-3.8A)
None
None
 0.68A 1xdsB-5i2hA:
14.0		 1xdsB-5i2hA:
26.54
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.
5ic7 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		no annotation 5 GLY A 473
GLY A 479
GLY A 478
LEU A 500
ASP A 499
 None
 1.16A 1xdsB-5ic7A:
undetectable		 1xdsB-5ic7A:
23.04
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.
5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF02395
(Peptidase_S6) 		5 GLY A 147
GLY A 148
GLY A 149
LEU A 231
ASN A 204
 None
 1.11A 1xdsB-5j44A:
undetectable		 1xdsB-5j44A:
17.66
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.
5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF02395
(Peptidase_S6) 		5 GLY A 326
GLY A 347
GLY A 346
ASP A 258
SER A 113
 None
 0.77A 1xdsB-5j44A:
undetectable		 1xdsB-5j44A:
17.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jr3 CARMINOMYCIN
4-O-METHYLTRANSFERAS
E DNRK

(Streptomyces
peucetius) 		PF00891
(Methyltransf_2) 		9 GLY A 187
GLY A 188
GLY A 189
GLU A 210
ASP A 237
PHE A 238
SER A 252
ASN A 257
TRP A 258
 SAH  A 401 (-3.9A)
SAH  A 401 ( 3.7A)
SAH  A 401 ( 3.8A)
SAH  A 401 (-2.8A)
SAH  A 401 (-3.7A)
SAH  A 401 (-3.4A)
SAH  A 401 (-2.6A)
SAH  A 401 (-4.2A)
None
 0.33A 1xdsB-5jr3A:
34.5		 1xdsB-5jr3A:
53.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jr3 CARMINOMYCIN
4-O-METHYLTRANSFERAS
E DNRK

(Streptomyces
peucetius) 		PF00891
(Methyltransf_2) 		6 GLY A 188
GLU A 210
ASP A 237
PHE A 238
ASN A 257
TRP A 258
 SAH  A 401 ( 3.7A)
SAH  A 401 (-2.8A)
SAH  A 401 (-3.7A)
SAH  A 401 (-3.4A)
SAH  A 401 (-4.2A)
None
 1.03A 1xdsB-5jr3A:
34.5		 1xdsB-5jr3A:
53.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o3z SORBITOL-6-PHOSPHATE
DEHYDROGENASE

(Erwinia
amylovora) 		no annotation 5 GLY A   9
GLY A  10
GLY A  11
LEU A  34
ASP A  61
 None
 0.91A 1xdsB-5o3zA:
7.0		 1xdsB-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.
5obu CHAPERONE PROTEIN
DNAK

(Mycoplasma
genitalium) 		no annotation 5 GLY A 208
GLY A 180
GLY A 181
LEU A 206
ASN A 213
 ANP  A 602 (-3.3A)
ANP  A 602 (-3.4A)
ANP  A 602 (-3.5A)
None
None
 0.85A 1xdsB-5obuA:
undetectable		 1xdsB-5obuA:
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.
5obw CHAPERONE PROTEIN
DNAK

(Mycoplasma
genitalium) 		no annotation 5 GLY A 208
GLY A 180
GLY A 181
LEU A 206
ASN A 213
 ADP  A 402 (-3.3A)
ADP  A 402 (-3.5A)
None
None
None
 0.89A 1xdsB-5obwA:
undetectable		 1xdsB-5obwA:
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.
5t57 SEMIALDEHYDE
DEHYDROGENASE
NAD-BINDING PROTEIN

(Cupriavidus
necator) 		PF03807
(F420_oxidored)
PF16896
(PGDH_C) 		5 GLY A 137
GLY A 136
GLY A 135
PRO A 118
ASP A 126
 None
 0.93A 1xdsB-5t57A:
5.6		 1xdsB-5t57A:
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.
5tch TRYPTOPHAN SYNTHASE
BETA CHAIN

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		5 GLY B  17
GLY B  27
GLY B  26
PRO B 325
ASP B  12
 None
 1.06A 1xdsB-5tchB:
undetectable		 1xdsB-5tchB:
25.39
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.
5w3l C5 ANTIBODY VARIABLE
HEAVY DOMAIN
C5 ANTIBODY VARIABLE
LIGHT DOMAIN

(Mus musculus;
Mus musculus) 		PF07686
(V-set)
PF07686
(V-set) 		5 GLY G 101
GLY G 100
GLY G  99
LEU E  45
SER G   7
 None
 1.03A 1xdsB-5w3lG:
undetectable		 1xdsB-5w3lG:
15.51
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.
5wcj METHYLTRANSFERASE-LI
KE PROTEIN 13

(Homo sapiens) 		PF01564
(Spermine_synth) 		5 GLY A 505
GLY A 504
GLY A 503
LEU A 530
PHE A 539
 None
None
SAH  A 705 (-3.6A)
None
None
 1.08A 1xdsB-5wcjA:
12.2		 1xdsB-5wcjA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xez GLUCAGON
RECEPTOR,ENDOLYSIN,G
LUCAGON RECEPTOR

(Homo sapiens;
Escherichia
virus T4) 		PF00002
(7tm_2)
PF00959
(Phage_lysozyme)
PF02793
(HRM) 		5 GLY A 164
GLY A 165
LEU A 160
SER A 167
ASN A 174
 None
 1.09A 1xdsB-5xezA:
undetectable		 1xdsB-5xezA:
21.08
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.
5xoh BERGAPTOL
O-METHYLTRANSFERASE

(Peucedanum
praeruptorum) 		no annotation 6 GLY A 203
GLY A 204
GLY A 205
LEU A 227
ASP A 246
TRP A 266
 SAH  A 401 (-3.4A)
SAH  A 401 ( 3.9A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-4.1A)
SAH  A 401 (-3.7A)
None
 0.33A 1xdsB-5xohA:
24.5		 1xdsB-5xohA:
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.
5yy5


(;
) 		no annotation
no annotation 		5 GLY D 104
GLY D 103
GLY D 102
LEU C  45
SER D   7
 None
 1.16A 1xdsB-5yy5D:
undetectable		 1xdsB-5yy5D:
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.
6c5b METHYLTRANSFERASE

(Lysobacter
antibioticus) 		no annotation 6 GLY A 182
GLY A 184
ASP A 232
PHE A 233
SER A 247
TRP A 253
 SAH  A 501 (-4.0A)
SAH  A 501 (-3.3A)
SAH  A 501 (-3.5A)
SAH  A 501 (-3.5A)
SAH  A 501 (-2.8A)
None
 0.25A 1xdsB-6c5bA:
29.6		 1xdsB-6c5bA:
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.
6gun -

(-) 		no annotation 5 GLY A  80
GLY A  81
GLY A  82
PRO A  51
SER A  73
 None
 1.05A 1xdsB-6gunA:
undetectable		 1xdsB-6gunA:
undetectable