SIMILAR PATTERNS OF AMINO ACIDS FOR 1XDS_A_SAMA5635

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.
1boo PROTEIN (N-4
CYTOSINE-SPECIFIC
METHYLTRANSFERASE
PVU II)

(Proteus
vulgaris) 		PF01555
(N6_N4_Mtase) 		5 GLY A 274
GLY A 275
GLU A 294
ASP A  34
SER A  53
 None
SAH  A 401 (-3.5A)
SAH  A 401 (-2.9A)
SAH  A 401 (-4.0A)
SAH  A 401 (-3.4A)
 1.08A 1xdsA-1booA:
5.6		 1xdsA-1booA:
20.84
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.
1fi4 MEVALONATE
5-DIPHOSPHATE
DECARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N) 		5 GLY A 376
GLY A 163
LEU A  39
ASP A  43
SER A 187
 None
 1.18A 1xdsA-1fi4A:
undetectable		 1xdsA-1fi4A:
23.76
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.
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
 0.65A 1xdsA-1fp2A:
29.5		 1xdsA-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.
1fp2 ISOFLAVONE
O-METHYLTRANSFERASE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 TRP A 151
GLY A 197
ASP A 239
ASN A 258
TRP A 259
 SAH  A1699 ( 3.8A)
SAH  A1699 ( 4.2A)
SAH  A1699 (-3.8A)
HMO  A2000 (-3.1A)
None
 0.87A 1xdsA-1fp2A:
29.5		 1xdsA-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
 0.42A 1xdsA-1fpqA:
12.7		 1xdsA-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.
1fuk EUKARYOTIC
INITIATION FACTOR 4A

(Saccharomyces
cerevisiae) 		PF00271
(Helicase_C) 		5 GLY A 357
GLY A 350
GLY A 351
LEU A 330
ASN A 394
 None
 1.20A 1xdsA-1fukA:
undetectable		 1xdsA-1fukA:
16.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.95A 1xdsA-1hjoA:
undetectable		 1xdsA-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
 0.89A 1xdsA-1hwwA:
undetectable		 1xdsA-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.
1jmu PROTEIN MU-1
PROTEIN MU-1

(Reovirus sp.;
Reovirus sp.) 		PF05993
(Reovirus_M2)
PF05993
(Reovirus_M2) 		5 GLY B 246
GLY B 245
LEU B 240
PHE A  20
SER A  23
 None
None
BOG  B 709 (-4.6A)
None
None
 1.19A 1xdsA-1jmuB:
undetectable		 1xdsA-1jmuB:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.18A 1xdsA-1lvlA:
3.1		 1xdsA-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
 0.69A 1xdsA-1mjfA:
11.2		 1xdsA-1mjfA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n8p CYSTATHIONINE
GAMMA-LYASE

(Saccharomyces
cerevisiae) 		PF01053
(Cys_Met_Meta_PP) 		5 GLY A 306
GLY A 305
GLY A 304
LEU A 152
PRO A 284
 None
 1.15A 1xdsA-1n8pA:
undetectable		 1xdsA-1n8pA:
21.77
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) 		11 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 (-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
 0.37A 1xdsA-1qzzA:
39.2		 1xdsA-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 GLY A 192
GLU A 213
LEU A 214
ASP A 240
PHE A 241
SER A 255
ASN A 260
TRP A 261
 SAM  A 635 (-3.5A)
SAM  A 635 (-2.9A)
SAM  A 635 (-4.2A)
SAM  A 635 (-3.7A)
SAM  A 635 (-3.4A)
SAM  A 635 ( 2.7A)
SAM  A 635 (-3.8A)
None
 0.94A 1xdsA-1qzzA:
39.2		 1xdsA-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 190
GLU A 213
PRO A 217
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 (-2.9A)
SAM  A 635 (-4.6A)
SAM  A 635 (-3.4A)
SAM  A 635 ( 2.7A)
SAM  A 635 (-3.8A)
None
 0.75A 1xdsA-1qzzA:
39.2		 1xdsA-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
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 (-3.4A)
SAM  A 635 (-3.8A)
None
 1.20A 1xdsA-1qzzA:
39.2		 1xdsA-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
PRO A 217
SER A 255
ASN A 260
 SAM  A 635 (-4.2A)
SAM  A 635 ( 3.2A)
SAM  A 635 (-2.9A)
SAM  A 635 (-4.6A)
SAM  A 635 ( 2.7A)
SAM  A 635 (-3.8A)
 1.25A 1xdsA-1qzzA:
39.2		 1xdsA-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.
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
 0.89A 1xdsA-1u60A:
undetectable		 1xdsA-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.
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)
 0.46A 1xdsA-1x1bA:
5.4		 1xdsA-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 1xdsA-1xj5A:
5.3		 1xdsA-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.
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
 0.45A 1xdsA-1zgjA:
9.6		 1xdsA-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.
2amg 1,4-ALPHA-D-GLUCAN
MALTOTETRAHYDROLASE

(Pseudomonas
stutzeri) 		PF00128
(Alpha-amylase)
PF09081
(DUF1921) 		5 GLY A  73
GLY A  74
GLU A  76
ASP A 294
SER A  67
 None
 1.19A 1xdsA-2amgA:
undetectable		 1xdsA-2amgA:
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.
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
 1.20A 1xdsA-2bmyA:
undetectable		 1xdsA-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
 0.91A 1xdsA-2fffB:
undetectable		 1xdsA-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
 0.38A 1xdsA-2ip2A:
22.3		 1xdsA-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.
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
 1.04A 1xdsA-2jchA:
undetectable		 1xdsA-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.
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
 1.09A 1xdsA-2lt3A:
undetectable		 1xdsA-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.
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 1xdsA-2p1rA:
2.0		 1xdsA-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)
 0.82A 1xdsA-2pt6A:
11.2		 1xdsA-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)
 1.17A 1xdsA-2q7vA:
3.3		 1xdsA-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
 0.37A 1xdsA-2qyoA:
12.4		 1xdsA-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.
2rc5 FERREDOXIN-NADP
REDUCTASE

(Leptospira
interrogans) 		PF00175
(NAD_binding_1) 		5 GLY A 267
GLY A 266
GLY A 265
SER A 165
ASN A 198
 None
 0.82A 1xdsA-2rc5A:
4.3		 1xdsA-2rc5A:
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.
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
 0.97A 1xdsA-2vhdA:
undetectable		 1xdsA-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.
2wtb FATTY ACID
MULTIFUNCTIONAL
PROTEIN (ATMFP2)

(Arabidopsis
thaliana) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLY A 117
GLY A 116
GLY A 115
LEU A 135
SER A  30
 None
 1.21A 1xdsA-2wtbA:
7.8		 1xdsA-2wtbA:
20.36
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.
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
 0.76A 1xdsA-2zsuA:
11.3		 1xdsA-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
 1.13A 1xdsA-3bgfL:
undetectable		 1xdsA-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
 0.97A 1xdsA-3bkwA:
15.3		 1xdsA-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)
 0.61A 1xdsA-3c6mA:
6.7		 1xdsA-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.
3dgt ENDO-1,3-BETA-GLUCAN
ASE

(Streptomyces
sioyaensis) 		PF00722
(Glyco_hydro_16) 		5 TRP A 197
GLY A 141
GLY A 127
LEU A 143
TRP A 228
 None
 0.98A 1xdsA-3dgtA:
undetectable		 1xdsA-3dgtA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.89A 1xdsA-3fe1A:
undetectable		 1xdsA-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
 0.22A 1xdsA-3gxoA:
34.2		 1xdsA-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) 		5 GLY B   9
GLY B  52
ASP B 128
SER B  74
ASN B 119
 None
 1.08A 1xdsA-3hstB:
2.2		 1xdsA-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
 0.28A 1xdsA-3i58A:
31.3		 1xdsA-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
 0.91A 1xdsA-3l4iA:
undetectable		 1xdsA-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
 0.36A 1xdsA-3lstA:
16.3		 1xdsA-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)
 1.12A 1xdsA-3m6xA:
10.5		 1xdsA-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.
3n2z LYSOSOMAL PRO-X
CARBOXYPEPTIDASE

(Homo sapiens) 		PF05577
(Peptidase_S28) 		5 GLY B 178
GLY B 181
GLY B 182
LEU B 200
ASN B 426
 None
 1.06A 1xdsA-3n2zB:
undetectable		 1xdsA-3n2zB:
20.94
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.
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 1xdsA-3noqA:
3.0		 1xdsA-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.
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 1xdsA-3o4rA:
8.2		 1xdsA-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
 0.32A 1xdsA-3p9cA:
25.2		 1xdsA-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 1xdsA-3rkoM:
undetectable		 1xdsA-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 1xdsA-3rw9A:
10.4		 1xdsA-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.
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)
 0.79A 1xdsA-3u9wA:
undetectable		 1xdsA-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)
 1.18A 1xdsA-3vovA:
undetectable		 1xdsA-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
 0.59A 1xdsA-4a6eA:
30.0		 1xdsA-4a6eA:
26.58
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.
4aby DNA REPAIR PROTEIN
RECN

(Deinococcus
radiodurans) 		PF02463
(SMC_N) 		5 GLY A  53
GLY A  54
GLY A  55
LEU A 500
TRP A 100
 None
 1.16A 1xdsA-4abyA:
undetectable		 1xdsA-4abyA:
26.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		5 GLY A 193
GLY A 194
GLY A 195
LEU A 562
SER A 604
 None
 1.19A 1xdsA-4av6A:
undetectable		 1xdsA-4av6A:
19.70
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
 1.43A 1xdsA-4d7kA:
6.4		 1xdsA-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.
4dzg PLIG

(Aeromonas
hydrophila) 		no annotation 5 GLY A  67
GLY A  68
LEU A 129
SER A  70
ASN A  73
 None
None
MLY  A  65 ( 4.5A)
CL  A 201 (-3.2A)
None
 1.20A 1xdsA-4dzgA:
2.3		 1xdsA-4dzgA:
17.74
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.
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)
 0.85A 1xdsA-4er6A:
10.2		 1xdsA-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)
 0.86A 1xdsA-4er6A:
10.2		 1xdsA-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
 0.36A 1xdsA-4eviA:
28.1		 1xdsA-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.
4giz MALTOSE-BINDING
PERIPLASMIC PROTEIN,
UBIQUITIN LIGASE
EA6P: CHIMERIC
PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF01547
(SBP_bac_1) 		5 GLY A 188
GLY A 166
GLY A 167
LEU A 362
ASP A 359
 None
 1.04A 1xdsA-4gizA:
undetectable		 1xdsA-4gizA:
22.54
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.
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
 0.90A 1xdsA-4j8fA:
undetectable		 1xdsA-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)
 1.19A 1xdsA-4j9vA:
6.3		 1xdsA-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.
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
 1.00A 1xdsA-4kvfA:
2.4		 1xdsA-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.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT C

(Vibrio cholerae) 		PF04205
(FMN_bind) 		5 GLY C 220
GLY C 208
GLY C 209
SER C 222
ASN C 182
 None
 1.18A 1xdsA-4p6vC:
undetectable		 1xdsA-4p6vC:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.41A 1xdsA-4pghA:
25.0		 1xdsA-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
 0.55A 1xdsA-4qvgA:
7.8		 1xdsA-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
 1.20A 1xdsA-4r70A:
undetectable		 1xdsA-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.
4rmx PHI92_GP150

(Enterobacteria
phage phi92) 		no annotation 5 GLY A 319
GLY A 318
LEU A 348
ASP A 349
SER A 280
 None
 1.18A 1xdsA-4rmxA:
undetectable		 1xdsA-4rmxA:
20.25
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.
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)
 0.78A 1xdsA-4uoeA:
10.3		 1xdsA-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.
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
 1.19A 1xdsA-4z42B:
undetectable		 1xdsA-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
 0.56A 1xdsA-5cvvA:
27.7		 1xdsA-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.
5cvv (ISO)EUGENOL
O-METHYLTRANSFERASE

(Clarkia breweri) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 TRP A 166
GLY A 212
LEU A 235
ASP A 254
TRP A 274
 SAH  A 401 ( 3.6A)
SAH  A 401 ( 4.2A)
SAH  A 401 (-4.3A)
SAH  A 401 (-3.5A)
None
 0.80A 1xdsA-5cvvA:
27.7		 1xdsA-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.
5dgt BENZOYLFORMATE
DECARBOXYLASE

(Pseudomonas
putida) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 274
GLY A 208
PRO A 241
ASP A 219
SER A 297
 None
 1.21A 1xdsA-5dgtA:
undetectable		 1xdsA-5dgtA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 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)
 1.11A 1xdsA-5di0A:
undetectable		 1xdsA-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
 0.82A 1xdsA-5dtrA:
10.1		 1xdsA-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
 0.80A 1xdsA-5dtrA:
10.1		 1xdsA-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
 1.08A 1xdsA-5ee7A:
undetectable		 1xdsA-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
 1.06A 1xdsA-5fifA:
undetectable		 1xdsA-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
 0.95A 1xdsA-5fpnA:
undetectable		 1xdsA-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
 0.75A 1xdsA-5i2hA:
19.3		 1xdsA-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.
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
 0.75A 1xdsA-5j44A:
undetectable		 1xdsA-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 TRP A 272
GLY A 326
GLY A 347
LEU A 306
ASP A 258
 None
 1.08A 1xdsA-5j44A:
undetectable		 1xdsA-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.
5j6q CELL WALL BINDING
PROTEIN CWP8

(Clostridioides
difficile) 		PF04122
(CW_binding_2) 		5 GLY A 429
GLY A 431
ASP A 405
PHE A 407
ASN A 454
 None
 1.12A 1xdsA-5j6qA:
undetectable		 1xdsA-5j6qA:
21.86
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
 0.29A 1xdsA-5jr3A:
42.1		 1xdsA-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) 		7 GLY A 188
GLU A 210
ASP A 237
PHE A 238
SER A 252
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 (-2.6A)
SAH  A 401 (-4.2A)
None
 1.12A 1xdsA-5jr3A:
42.1		 1xdsA-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
 0.98A 1xdsA-5o3zA:
7.3		 1xdsA-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
 0.91A 1xdsA-5obuA:
undetectable		 1xdsA-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
 0.93A 1xdsA-5obwA:
undetectable		 1xdsA-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
 0.87A 1xdsA-5t57A:
5.3		 1xdsA-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
 1.11A 1xdsA-5tchB:
undetectable		 1xdsA-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
 1.04A 1xdsA-5w3lG:
undetectable		 1xdsA-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
 1.10A 1xdsA-5wcjA:
11.7		 1xdsA-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.
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
 0.29A 1xdsA-5xohA:
26.0		 1xdsA-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
 1.20A 1xdsA-5yy5D:
undetectable		 1xdsA-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
 0.31A 1xdsA-6c5bA:
29.4		 1xdsA-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
 1.01A 1xdsA-6gunA:
undetectable		 1xdsA-6gunA:
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
PRO A  51
ASP A 298
SER A  73
 None
 1.20A 1xdsA-6gunA:
undetectable		 1xdsA-6gunA:
undetectable