SIMILAR PATTERNS OF AMINO ACIDS FOR 1X7P_B_SAMB302

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.
1b9h PROTEIN
(3-AMINO-5-HYDROXYBE
NZOIC ACID SYNTHASE)

(Amycolatopsis
mediterranei) 		PF01041
(DegT_DnrJ_EryC1) 		5 THR A 181
GLY A  62
GLY A 196
ILE A 179
ALA A  69
 None
PLP  A 389 (-3.5A)
None
None
None
 1.06A 1x7pA-1b9hA:
undetectable
1x7pB-1b9hA:
undetectable		 1x7pA-1b9hA:
24.76
1x7pB-1b9hA:
24.76
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.
1fiw BETA-ACROSIN HEAVY
CHAIN

(Ovis aries) 		PF00089
(Trypsin) 		5 THR A 190
GLY A 140
GLY A 142
ILE A 188
ALA A 158
 PBZ  A 305 (-3.9A)
None
None
None
None
 1.10A 1x7pA-1fiwA:
undetectable
1x7pB-1fiwA:
undetectable		 1x7pA-1fiwA:
23.03
1x7pB-1fiwA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fiz BETA-ACROSIN HEAVY
CHAIN

(Sus scrofa) 		PF00089
(Trypsin) 		5 THR A 190
GLY A 140
GLY A 142
ILE A 188
ALA A 158
 PBZ  A 308 (-3.4A)
None
None
None
None
 1.02A 1x7pA-1fizA:
undetectable
1x7pB-1fizA:
undetectable		 1x7pA-1fizA:
19.47
1x7pB-1fizA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fl2 ALKYL HYDROPEROXIDE
REDUCTASE SUBUNIT F

(Escherichia
coli) 		PF07992
(Pyr_redox_2) 		5 GLU A 385
GLY A 367
GLY A 364
ILE A 409
LEU A 384
 None
 1.02A 1x7pA-1fl2A:
3.1
1x7pB-1fl2A:
undetectable		 1x7pA-1fl2A:
24.63
1x7pB-1fl2A:
24.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gz0 HYPOTHETICAL
TRNA/RRNA
METHYLTRANSFERASE
YJFH

(Escherichia
coli) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		5 GLY A 196
ILE A 216
MET A 218
LEU A 225
ALA A 230
 None
 0.78A 1x7pA-1gz0A:
23.2
1x7pB-1gz0A:
23.5		 1x7pA-1gz0A:
31.44
1x7pB-1gz0A:
31.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gz0 HYPOTHETICAL
TRNA/RRNA
METHYLTRANSFERASE
YJFH

(Escherichia
coli) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		5 GLY A 199
ILE A 216
MET A 218
LEU A 225
ALA A 230
 None
 0.64A 1x7pA-1gz0A:
23.2
1x7pB-1gz0A:
23.5		 1x7pA-1gz0A:
31.44
1x7pB-1gz0A:
31.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gz0 HYPOTHETICAL
TRNA/RRNA
METHYLTRANSFERASE
YJFH

(Escherichia
coli) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		6 THR A 174
GLY A 196
GLY A 201
MET A 218
LEU A 225
ALA A 230
 None
 0.52A 1x7pA-1gz0A:
23.2
1x7pB-1gz0A:
23.5		 1x7pA-1gz0A:
31.44
1x7pB-1gz0A:
31.44
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.
1gz6 ESTRADIOL 17
BETA-DEHYDROGENASE 4

(Rattus
norvegicus) 		PF00106
(adh_short) 		5 ARG A  65
GLU A 216
GLY A  22
GLY A  20
ALA A  28
 None
None
None
NAI  A1306 (-3.4A)
None
 0.97A 1x7pA-1gz6A:
2.9
1x7pB-1gz6A:
2.2		 1x7pA-1gz6A:
22.88
1x7pB-1gz6A:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hyg L-LACTATE/MALATE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A   7
GLY A  33
ILE A  48
LEU A  29
ALA A  17
 NAP  A 900 (-2.5A)
NAP  A 900 (-3.7A)
None
None
None
 1.13A 1x7pA-1hygA:
3.8
1x7pB-1hygA:
3.7		 1x7pA-1hygA:
19.45
1x7pB-1hygA:
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.
1ibj CYSTATHIONINE
BETA-LYASE

(Arabidopsis
thaliana) 		PF01053
(Cys_Met_Meta_PP) 		5 THR A 134
ASP A 136
GLU A 139
GLY A 131
LEU A 313
 None
 1.00A 1x7pA-1ibjA:
undetectable
1x7pB-1ibjA:
undetectable		 1x7pA-1ibjA:
21.63
1x7pB-1ibjA:
21.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ipa RNA 2'-O-RIBOSE
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		5 THR A 193
GLY A 215
GLY A 220
MET A 237
LEU A 244
 None
 0.77A 1x7pA-1ipaA:
21.9
1x7pB-1ipaA:
22.3		 1x7pA-1ipaA:
31.89
1x7pB-1ipaA:
31.89
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.
1kbl PYRUVATE PHOSPHATE
DIKINASE

([Clostridium]
symbiosum) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 GLU A 369
GLY A 464
GLY A 462
ILE A 861
LEU A 373
 None
 1.15A 1x7pA-1kblA:
undetectable
1x7pB-1kblA:
2.8		 1x7pA-1kblA:
15.29
1x7pB-1kblA:
15.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ldi GLYCEROL UPTAKE
FACILITATOR PROTEIN

(Escherichia
coli) 		PF00230
(MIP) 		5 GLU A  14
GLY A  61
GLY A  64
ILE A  12
LEU A  16
 None
 1.15A 1x7pA-1ldiA:
undetectable
1x7pB-1ldiA:
undetectable		 1x7pA-1ldiA:
22.44
1x7pB-1ldiA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nl3 PREPROTEIN
TRANSLOCASE SECA 1
SUBUNIT

(Mycobacterium
tuberculosis) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 ASP A 138
GLY A 143
ILE A 206
MET A 371
ALA A 115
 None
 1.05A 1x7pA-1nl3A:
undetectable
1x7pB-1nl3A:
undetectable		 1x7pA-1nl3A:
16.34
1x7pB-1nl3A:
16.34
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.
1on9 METHYLMALONYL-COA
CARBOXYLTRANSFERASE
12S SUBUNIT

(Propionibacterium
freudenreichii) 		PF01039
(Carboxyl_trans) 		5 ASP A 150
GLU A 147
GLY A 154
ILE A 145
ALA A 143
 None
 1.01A 1x7pA-1on9A:
undetectable
1x7pB-1on9A:
undetectable		 1x7pA-1on9A:
20.89
1x7pB-1on9A:
20.89
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.
1q56 AGRIN

(Gallus gallus) 		PF00054
(Laminin_G_1) 		5 THR A  23
GLY A  21
GLY A 162
ILE A  17
ALA A  18
 None
 1.14A 1x7pA-1q56A:
undetectable
1x7pB-1q56A:
undetectable		 1x7pA-1q56A:
21.16
1x7pB-1q56A:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qqj FUMARYLACETOACETATE
HYDROLASE

(Mus musculus) 		PF01557
(FAA_hydrolase)
PF09298
(FAA_hydrolase_N) 		5 ASP A 233
GLY A 349
ILE A 259
LEU A 345
ALA A 203
 CA  A 420 (-3.6A)
CA  A 420 ( 4.5A)
None
None
None
 0.95A 1x7pA-1qqjA:
undetectable
1x7pB-1qqjA:
undetectable		 1x7pA-1qqjA:
20.19
1x7pB-1qqjA:
20.19
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.
1sc6 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Escherichia
coli) 		PF00389
(2-Hacid_dh)
PF01842
(ACT)
PF02826
(2-Hacid_dh_C) 		5 ASP A 181
GLY A 163
GLY A 160
MET A 220
LEU A 209
 NAD  A2101 (-2.9A)
None
NAD  A2101 (-3.3A)
NAD  A2101 ( 4.2A)
None
 0.97A 1x7pA-1sc6A:
2.5
1x7pB-1sc6A:
2.0		 1x7pA-1sc6A:
22.97
1x7pB-1sc6A:
22.97
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.
1spj KALLIKREIN 1

(Homo sapiens) 		PF00089
(Trypsin) 		5 ASP A 194
GLY A 196
GLY A  43
LEU A 199
ALA A 228
 None
 1.17A 1x7pA-1spjA:
undetectable
1x7pB-1spjA:
undetectable		 1x7pA-1spjA:
21.93
1x7pB-1spjA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v2x TRNA (GM18)
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		7 THR A  99
GLY A 122
GLY A 127
ILE A 142
MET A 144
LEU A 151
ALA A 156
 SAM  A 400 (-3.2A)
SAM  A 400 (-3.2A)
SAM  A 400 (-3.8A)
SAM  A 400 (-3.6A)
SAM  A 400 (-3.3A)
SAM  A 400 (-4.0A)
SAM  A 400 (-3.5A)
 0.48A 1x7pA-1v2xA:
19.2
1x7pB-1v2xA:
19.2		 1x7pA-1v2xA:
25.34
1x7pB-1v2xA:
25.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1x7p RRNA
METHYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF00588
(SpoU_methylase) 		6 THR A 210
ASP A 211
GLU A 212
ILE A 252
MET A 254
ALA A 266
 SAM  A 301 (-3.6A)
None
SAM  A 301 (-4.8A)
SAM  A 301 (-4.0A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.4A)
 0.82A 1x7pA-1x7pA:
45.5
1x7pB-1x7pA:
33.3		 1x7pA-1x7pA:
100.00
1x7pB-1x7pA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1x7p RRNA
METHYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF00588
(SpoU_methylase) 		8 THR A 210
ASP A 211
GLY A 232
GLY A 237
ILE A 252
MET A 254
LEU A 261
ALA A 266
 SAM  A 301 (-3.6A)
None
SAM  A 301 (-3.2A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.0A)
SAM  A 301 (-3.1A)
SAM  A 301 (-4.1A)
SAM  A 301 (-3.4A)
 0.39A 1x7pA-1x7pA:
45.5
1x7pB-1x7pA:
33.3		 1x7pA-1x7pA:
100.00
1x7pB-1x7pA:
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.
1y8q UBIQUITIN-LIKE 2
ACTIVATING ENZYME
E1B

(Homo sapiens) 		PF00899
(ThiF)
PF14732
(UAE_UbL)
PF16195
(UBA2_C) 		5 ARG B 122
ASP B  48
GLY B  29
GLY B  26
ILE B  96
 None
ATP  B 802 (-2.9A)
None
ATP  B 802 (-3.5A)
ATP  B 802 (-4.2A)
 1.00A 1x7pA-1y8qB:
3.2
1x7pB-1y8qB:
3.9		 1x7pA-1y8qB:
18.60
1x7pB-1y8qB:
18.60
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.
1zjr TRNA
(GUANOSINE-2'-O-)-ME
THYLTRANSFERASE

(Aquifex
aeolicus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		6 THR A 103
GLY A 126
ILE A 146
MET A 148
LEU A 155
ALA A 160
 GOL  A 529 (-3.0A)
GOL  A 529 (-4.0A)
None
None
None
GOL  A 529 (-3.6A)
 0.60A 1x7pA-1zjrA:
17.5
1x7pB-1zjrA:
17.6		 1x7pA-1zjrA:
21.70
1x7pB-1zjrA:
21.70
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.
2c47 CASEIN KINASE 1
GAMMA 2 ISOFORM

(Homo sapiens) 		PF00069
(Pkinase) 		5 GLU A 120
GLY A 123
GLY A 174
LEU A 119
ALA A  73
 None
None
None
5ID  A1300 ( 4.7A)
5ID  A1300 ( 3.8A)
 1.16A 1x7pA-2c47A:
undetectable
1x7pB-2c47A:
undetectable		 1x7pA-2c47A:
21.96
1x7pB-2c47A:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d5w PEPTIDE ABC
TRANSPORTER,
PEPTIDE-BINDING
PROTEIN

(Thermus
thermophilus) 		PF00496
(SBP_bac_5) 		5 ARG A  25
GLY A 573
GLY A 570
ILE A  32
ALA A  31
 None
 1.15A 1x7pA-2d5wA:
undetectable
1x7pB-2d5wA:
undetectable		 1x7pA-2d5wA:
19.34
1x7pB-2d5wA:
19.34
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.
2egw UPF0088 PROTEIN
AQ_165

(Aquifex
aeolicus) 		PF04452
(Methyltrans_RNA) 		5 ASP A 162
GLY A 185
GLY A 189
LEU A 213
ALA A 218
 None
SAH  A 300 ( 3.6A)
SAH  A 300 ( 3.6A)
SAH  A 300 ( 4.0A)
SAH  A 300 ( 3.6A)
 0.77A 1x7pA-2egwA:
11.3
1x7pB-2egwA:
11.2		 1x7pA-2egwA:
23.68
1x7pB-2egwA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eh6 ACETYLORNITHINE
AMINOTRANSFERASE

(Aquifex
aeolicus) 		PF00202
(Aminotran_3) 		5 ASP A  32
GLY A  38
GLY A  36
ILE A 358
LEU A  42
 None
 1.11A 1x7pA-2eh6A:
2.5
1x7pB-2eh6A:
2.3		 1x7pA-2eh6A:
20.72
1x7pB-2eh6A:
20.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i6d RNA
METHYLTRANSFERASE,
TRMH FAMILY

(Porphyromonas
gingivalis) 		PF00588
(SpoU_methylase) 		5 GLY A 203
GLY A 208
ILE A 223
LEU A 237
ALA A 242
 None
 0.46A 1x7pA-2i6dA:
25.9
1x7pB-2i6dA:
25.6		 1x7pA-2i6dA:
30.45
1x7pB-2i6dA:
30.45
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.
2iv0 ISOCITRATE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00180
(Iso_dh) 		5 ASP A 273
GLY A 238
ILE A 293
LEU A 295
ALA A 294
 None
 1.17A 1x7pA-2iv0A:
undetectable
1x7pB-2iv0A:
undetectable		 1x7pA-2iv0A:
23.37
1x7pB-2iv0A:
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.
2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA

(Homo sapiens) 		PF00899
(ThiF)
PF08825
(E2_bind)
PF13416
(SBP_bac_8) 		5 ARG B2151
ASP B2079
GLY B2060
GLY B2057
ILE B2127
 None
ATP  B 103 (-2.8A)
None
ATP  B 103 (-4.9A)
ATP  B 103 (-3.9A)
 0.95A 1x7pA-2nvuB:
3.8
1x7pB-2nvuB:
2.6		 1x7pA-2nvuB:
16.50
1x7pB-2nvuB:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q0f RNA URIDYLYL
TRANSFERASE

(Trypanosoma
brucei) 		PF03828
(PAP_assoc) 		5 ARG A 170
GLY A 238
GLY A 234
ILE A 332
ALA A 328
 None
 1.14A 1x7pA-2q0fA:
undetectable
1x7pB-2q0fA:
undetectable		 1x7pA-2q0fA:
23.50
1x7pB-2q0fA:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qz6 BETA-LACTAMASE

(Pseudomonas
fluorescens) 		PF00144
(Beta-lactamase) 		6 THR A 319
GLY A 321
GLY A 202
ILE A  62
LEU A 339
ALA A 324
 None
 1.47A 1x7pA-2qz6A:
undetectable
1x7pB-2qz6A:
undetectable		 1x7pA-2qz6A:
19.90
1x7pB-2qz6A:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zgh GRANZYME M

(Homo sapiens) 		PF00089
(Trypsin) 		5 ASP A 181
GLY A 183
GLY A  27
LEU A 186
ALA A 214
 None
 1.11A 1x7pA-2zghA:
undetectable
1x7pB-2zghA:
undetectable		 1x7pA-2zghA:
23.00
1x7pB-2zghA:
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.
2zux YESW PROTEIN

(Bacillus
subtilis) 		no annotation 5 ASP A 369
GLU A 377
GLY A 314
ILE A 367
ALA A 310
 CA  A 638 (-3.1A)
CA  A 638 ( 2.0A)
None
None
None
 0.95A 1x7pA-2zuxA:
undetectable
1x7pB-2zuxA:
undetectable		 1x7pA-2zuxA:
20.61
1x7pB-2zuxA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ada SARCOSINE OXIDASE
BETA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01266
(DAO) 		5 GLU B  52
GLY B  32
GLY B  29
ILE B 191
LEU B  51
 FAD  B   1 (-2.8A)
None
FAD  B   1 (-3.0A)
None
None
 1.11A 1x7pA-3adaB:
undetectable
1x7pB-3adaB:
undetectable		 1x7pA-3adaB:
21.67
1x7pB-3adaB:
21.67
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.
3btu GALACTOSE/LACTOSE
METABOLISM
REGULATORY PROTEIN
GAL80

(Saccharomyces
cerevisiae) 		PF01408
(GFO_IDH_MocA) 		5 GLY A 310
GLY A 180
ILE A 158
MET A 221
LEU A 305
 None
 0.97A 1x7pA-3btuA:
undetectable
1x7pB-3btuA:
2.5		 1x7pA-3btuA:
22.05
1x7pB-3btuA:
22.05
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.
3c75 METHYLAMINE
DEHYDROGENASE HEAVY
CHAIN

(Paracoccus
versutus) 		PF06433
(Me-amine-dh_H) 		5 ASP H 373
GLY H 415
GLY H 391
ILE H 419
LEU H 395
 None
 1.13A 1x7pA-3c75H:
undetectable
1x7pB-3c75H:
undetectable		 1x7pA-3c75H:
22.59
1x7pB-3c75H:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cze SUCROSE HYDROLASE

(Xanthomonas
citri) 		PF00128
(Alpha-amylase) 		5 ASP A 570
GLY A 365
ILE A 600
LEU A 585
ALA A 575
 None
 1.12A 1x7pA-3czeA:
2.3
1x7pB-3czeA:
2.2		 1x7pA-3czeA:
18.83
1x7pB-3czeA:
18.83
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.
3dcm UNCHARACTERIZED
PROTEIN TM_1570

(Thermotoga
maritima) 		PF09936
(Methyltrn_RNA_4) 		6 THR X 111
GLY X 141
GLY X 145
ILE X 161
LEU X 170
ALA X 175
 SAM  X5452 (-3.9A)
SAM  X5452 (-3.1A)
SAM  X5452 (-3.7A)
SAM  X5452 (-3.7A)
SAM  X5452 (-4.2A)
SAM  X5452 (-3.3A)
 0.29A 1x7pA-3dcmX:
14.3
1x7pB-3dcmX:
14.5		 1x7pA-3dcmX:
22.57
1x7pB-3dcmX:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fbg PUTATIVE ARGINATE
LYASE

(Staphylococcus
haemolyticus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 THR A 189
GLY A 159
GLY A 329
ILE A 186
ALA A 180
 None
 1.10A 1x7pA-3fbgA:
2.8
1x7pB-3fbgA:
3.0		 1x7pA-3fbgA:
23.14
1x7pB-3fbgA:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gyq RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE

(Streptomyces
cyaneus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		5 GLY A 218
GLY A 223
ILE A 238
MET A 240
LEU A 247
 SAM  A 270 (-2.9A)
None
SAM  A 270 (-3.5A)
SAM  A 270 (-3.5A)
SAM  A 270 (-4.4A)
 0.78A 1x7pA-3gyqA:
20.9
1x7pB-3gyqA:
22.8		 1x7pA-3gyqA:
27.99
1x7pB-3gyqA:
27.99
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.
3hea ARYLESTERASE

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		5 THR A 214
GLU A 242
GLY A 240
LEU A 243
ALA A 235
 None
 0.98A 1x7pA-3heaA:
2.3
1x7pB-3heaA:
undetectable		 1x7pA-3heaA:
24.15
1x7pB-3heaA:
24.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ife PEPTIDASE T

(Bacillus
anthracis) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLU A 149
GLY A 200
ILE A 150
LEU A 147
ALA A  78
 None
 1.00A 1x7pA-3ifeA:
undetectable
1x7pB-3ifeA:
undetectable		 1x7pA-3ifeA:
20.37
1x7pB-3ifeA:
20.37
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.
3ilk UNCHARACTERIZED
TRNA/RRNA
METHYLTRANSFERASE
HI0380

(Haemophilus
influenzae) 		PF00588
(SpoU_methylase) 		6 THR A  78
GLY A 111
GLY A 116
ILE A 131
LEU A 140
ALA A 145
 EDO  A 242 (-3.4A)
EDO  A 242 (-4.6A)
None
EDO  A 243 (-4.0A)
None
EDO  A 242 ( 3.7A)
 0.74A 1x7pA-3ilkA:
17.1
1x7pB-3ilkA:
17.3		 1x7pA-3ilkA:
22.15
1x7pB-3ilkA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j1e CHAPERONIN BETA
SUBUNIT

(Acidianus
tengchongensis) 		PF00118
(Cpn60_TCP1) 		5 THR A 220
ASP A 219
GLY A 385
GLY A 215
ALA A 177
 None
 0.90A 1x7pA-3j1eA:
undetectable
1x7pB-3j1eA:
undetectable		 1x7pA-3j1eA:
21.84
1x7pB-3j1eA:
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.
3k8k ALPHA-AMYLASE, SUSG

(Bacteroides
thetaiotaomicron) 		PF00128
(Alpha-amylase) 		5 THR A 502
GLY A 536
ILE A 462
LEU A 515
ALA A 516
 None
 1.02A 1x7pA-3k8kA:
undetectable
1x7pB-3k8kA:
3.4		 1x7pA-3k8kA:
16.69
1x7pB-3k8kA:
16.69
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.
3kh5 PROTEIN MJ1225

(Methanocaldococcus
jannaschii) 		PF00571
(CBS) 		6 ASP A 274
GLY A 268
ILE A 245
MET A 249
LEU A 257
ALA A 236
 ADP  A 284 (-2.8A)
None
None
None
AMP  A 282 ( 4.8A)
None
 1.36A 1x7pA-3kh5A:
undetectable
1x7pB-3kh5A:
undetectable		 1x7pA-3kh5A:
22.26
1x7pB-3kh5A:
22.26
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.
3kts GLYCEROL UPTAKE
OPERON
ANTITERMINATOR
REGULATORY PROTEIN

(Listeria
monocytogenes) 		PF04309
(G3P_antiterm) 		5 GLU A 130
GLY A 134
GLY A 155
ILE A 129
LEU A 106
 UNL  A 191 ( 4.9A)
None
UNL  A 191 ( 3.4A)
None
None
 1.16A 1x7pA-3ktsA:
undetectable
1x7pB-3ktsA:
undetectable		 1x7pA-3ktsA:
20.34
1x7pB-3ktsA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kty PROBABLE
METHYLTRANSFERASE

(Bordetella
pertussis) 		PF00588
(SpoU_methylase) 		5 GLY A 123
GLY A 128
ILE A 143
LEU A 152
ALA A 157
 None
 0.84A 1x7pA-3ktyA:
18.5
1x7pB-3ktyA:
18.6		 1x7pA-3ktyA:
24.65
1x7pB-3ktyA:
24.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kyd SUMO-ACTIVATING
ENZYME SUBUNIT 2

(Homo sapiens) 		PF00899
(ThiF)
PF14732
(UAE_UbL) 		5 ARG B 122
ASP B  48
GLY B  29
GLY B  26
ILE B  96
 None
 0.78A 1x7pA-3kydB:
4.1
1x7pB-3kydB:
3.9		 1x7pA-3kydB:
19.61
1x7pB-3kydB:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mhu DIHYDROOROTATE
DEHYDROGENASE

(Leishmania
major) 		PF01180
(DHO_dh) 		5 GLU A 277
GLY A 223
GLY A  65
ILE A 282
LEU A 275
 None
FMN  A 313 (-3.3A)
None
None
None
 1.14A 1x7pA-3mhuA:
undetectable
1x7pB-3mhuA:
undetectable		 1x7pA-3mhuA:
21.35
1x7pB-3mhuA:
21.35
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.
3n4k RNA
METHYLTRANSFERASE

(Yersinia pestis) 		PF00588
(SpoU_methylase) 		5 GLY A 105
GLY A 110
ILE A 127
MET A 129
ALA A 141
 SAH  A 201 (-3.1A)
SAH  A 201 (-3.4A)
SAH  A 201 (-3.8A)
SAH  A 201 (-3.4A)
SAH  A 201 ( 4.0A)
 0.46A 1x7pA-3n4kA:
16.7
1x7pB-3n4kA:
17.0		 1x7pA-3n4kA:
20.21
1x7pB-3n4kA:
20.21
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.
3n6r PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT

(Roseobacter
denitrificans) 		PF01039
(Carboxyl_trans) 		5 ASP B 171
GLU B 168
GLY B 175
ILE B 166
ALA B 164
 None
 1.01A 1x7pA-3n6rB:
undetectable
1x7pB-3n6rB:
undetectable		 1x7pA-3n6rB:
21.90
1x7pB-3n6rB:
21.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nk7 23S RRNA
METHYLTRANSFERASE

(Streptomyces
actuosus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		6 ASP A 196
GLY A 218
GLY A 223
ILE A 238
MET A 240
LEU A 247
 None
SAM  A 770 (-3.0A)
SAM  A 770 (-3.4A)
SAM  A 770 (-3.8A)
SAM  A 770 (-3.3A)
SAM  A 770 (-4.5A)
 0.51A 1x7pA-3nk7A:
24.1
1x7pB-3nk7A:
24.4		 1x7pA-3nk7A:
30.52
1x7pB-3nk7A:
30.52
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.
3nx3 ACETYLORNITHINE
AMINOTRANSFERASE

(Campylobacter
jejuni) 		PF00202
(Aminotran_3) 		5 ASP A  40
GLY A  46
GLY A  44
ILE A 375
LEU A  50
 None
 1.12A 1x7pA-3nx3A:
2.3
1x7pB-3nx3A:
2.2		 1x7pA-3nx3A:
22.67
1x7pB-3nx3A:
22.67
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.
3r31 BETAINE ALDEHYDE
DEHYDROGENASE

(Agrobacterium
fabrum) 		PF00171
(Aldedh) 		5 GLY A  77
GLY A 125
ILE A  86
MET A  87
ALA A 203
 None
 1.14A 1x7pA-3r31A:
2.7
1x7pB-3r31A:
undetectable		 1x7pA-3r31A:
20.83
1x7pB-3r31A:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r5t FERRIC VIBRIOBACTIN
ABC TRANSPORTER,
PERIPLASMIC FERRIC
VIBRIOBACTIN-BINDING
PROTEIN

(Vibrio cholerae) 		PF01497
(Peripla_BP_2) 		5 THR A 257
GLU A 226
GLY A 191
ILE A 195
LEU A 225
 None
 1.10A 1x7pA-3r5tA:
2.5
1x7pB-3r5tA:
2.4		 1x7pA-3r5tA:
25.00
1x7pB-3r5tA:
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.
3sfz APOPTOTIC PEPTIDASE
ACTIVATING FACTOR 1

(Mus musculus) 		PF00400
(WD40)
PF00931
(NB-ARC)
PF12894
(ANAPC4_WD40) 		5 THR A1182
GLY A1179
GLY A1149
ILE A1224
LEU A1200
 None
 0.95A 1x7pA-3sfzA:
undetectable
1x7pB-3sfzA:
undetectable		 1x7pA-3sfzA:
13.04
1x7pB-3sfzA:
13.04
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.
3vsv XYLOSIDASE

(Thermoanaerobacterium
saccharolyticum) 		PF13229
(Beta_helix) 		5 ASP A 318
GLY A 320
ILE A 256
LEU A 240
ALA A 263
 None
 1.07A 1x7pA-3vsvA:
undetectable
1x7pB-3vsvA:
undetectable		 1x7pA-3vsvA:
19.71
1x7pB-3vsvA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wz2 UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF09754
(PAC2) 		5 GLY A  27
GLY A 180
ILE A 153
LEU A 175
ALA A 114
 None
 0.84A 1x7pA-3wz2A:
2.2
1x7pB-3wz2A:
undetectable		 1x7pA-3wz2A:
21.40
1x7pB-3wz2A:
21.40
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.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 ASP A 244
GLY A 306
ILE A 180
LEU A 214
ALA A 178
 None
 1.15A 1x7pA-3zu0A:
undetectable
1x7pB-3zu0A:
undetectable		 1x7pA-3zu0A:
20.20
1x7pB-3zu0A:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		5 THR A 732
ASP A 731
GLY A 245
GLY A 286
ALA A 251
 None
2PN  A1773 (-3.9A)
None
None
None
 1.10A 1x7pA-4a01A:
undetectable
1x7pB-4a01A:
undetectable		 1x7pA-4a01A:
16.16
1x7pB-4a01A:
16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cng SPOU RRNA METHYLASE

(Sulfolobus
acidocaldarius) 		PF00588
(SpoU_methylase) 		6 THR A  77
GLY A 111
GLY A 116
ILE A 131
LEU A 140
ALA A 145
 SAH  A1157 (-3.6A)
SAH  A1157 (-3.1A)
SAH  A1157 ( 3.2A)
SAH  A1157 (-3.6A)
SAH  A1157 (-3.8A)
SAH  A1157 ( 3.7A)
 0.49A 1x7pA-4cngA:
18.0
1x7pB-4cngA:
17.8		 1x7pA-4cngA:
21.38
1x7pB-4cngA:
21.38
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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		5 GLU A  33
GLY A  15
GLY A  12
ILE A 129
LEU A  32
 FAD  A1392 (-2.7A)
None
FAD  A1392 (-3.4A)
None
None
 1.02A 1x7pA-4cnkA:
3.0
1x7pB-4cnkA:
3.0		 1x7pA-4cnkA:
22.25
1x7pB-4cnkA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f6l AUSA REDUCTASE
DOMAIN PROTEIN

(Staphylococcus
aureus) 		no annotation 5 GLY B2238
ILE B2061
MET B2103
LEU B2091
ALA B2058
 None
 1.06A 1x7pA-4f6lB:
2.5
1x7pB-4f6lB:
2.2		 1x7pA-4f6lB:
19.69
1x7pB-4f6lB:
19.69
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.
4h19 MANDELATE RACEMASE

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A  58
GLY A  50
GLY A  31
ILE A  65
ALA A 109
 None
 0.99A 1x7pA-4h19A:
undetectable
1x7pB-4h19A:
undetectable		 1x7pA-4h19A:
23.29
1x7pB-4h19A:
23.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j07 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

(Mycobacterium
leprae) 		PF00885
(DMRL_synthase) 		5 ASP A  45
GLY A  12
ILE A  48
LEU A 147
ALA A  15
 None
 1.09A 1x7pA-4j07A:
2.5
1x7pB-4j07A:
undetectable		 1x7pA-4j07A:
20.42
1x7pB-4j07A:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kdz TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Escherichia
coli) 		PF00588
(SpoU_methylase) 		5 GLY A 100
GLY A 105
ILE A 122
MET A 124
ALA A 136
 None
 0.65A 1x7pA-4kdzA:
18.1
1x7pB-4kdzA:
18.4		 1x7pA-4kdzA:
18.09
1x7pB-4kdzA:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mco TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Rhodoferax
ferrireducens) 		PF03480
(DctP) 		5 ASP A 319
GLU A 180
GLY A 321
ILE A 184
ALA A 312
 None
 1.11A 1x7pA-4mcoA:
undetectable
1x7pB-4mcoA:
undetectable		 1x7pA-4mcoA:
20.56
1x7pB-4mcoA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mow GLUCOSE
1-DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 GLY A 131
GLY A 133
ILE A  10
LEU A  88
ALA A 126
 None
 1.08A 1x7pA-4mowA:
3.1
1x7pB-4mowA:
3.1		 1x7pA-4mowA:
22.90
1x7pB-4mowA:
22.90
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.
4obw 2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01209
(Ubie_methyltran) 		5 ASP A 117
GLY A 128
ILE A 193
LEU A 101
ALA A 103
 None
 1.17A 1x7pA-4obwA:
2.8
1x7pB-4obwA:
2.8		 1x7pA-4obwA:
21.50
1x7pB-4obwA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pzk TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Bacillus
anthracis) 		PF00588
(SpoU_methylase) 		5 GLY A 104
GLY A 109
ILE A 125
MET A 127
LEU A 134
 SAH  A 201 (-3.1A)
SAH  A 201 (-3.3A)
SAH  A 201 (-3.9A)
SAH  A 201 (-3.3A)
SAH  A 201 (-4.2A)
 0.61A 1x7pA-4pzkA:
17.4
1x7pB-4pzkA:
17.7		 1x7pA-4pzkA:
21.26
1x7pB-4pzkA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rg1 C9ORF114

(Homo sapiens) 		PF02598
(Methyltrn_RNA_3) 		5 THR A 289
GLU A 291
GLY A 312
GLY A 316
ALA A 356
 SAH  A 401 (-3.8A)
UNX  A 405 (-4.1A)
SAH  A 401 (-3.1A)
SAH  A 401 (-3.3A)
SAH  A 401 (-3.4A)
 0.96A 1x7pA-4rg1A:
11.3
1x7pB-4rg1A:
11.1		 1x7pA-4rg1A:
24.70
1x7pB-4rg1A:
24.70
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.
4wyr ACETYL-COA
ACETYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 THR A  94
GLY A 114
GLY A 351
ILE A 387
LEU A 358
 None
 1.15A 1x7pA-4wyrA:
undetectable
1x7pB-4wyrA:
undetectable		 1x7pA-4wyrA:
22.71
1x7pB-4wyrA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wzh DIHYDROOROTATE
DEHYDROGENASE

(Leishmania
braziliensis) 		PF01180
(DHO_dh) 		5 GLU A 277
GLY A 223
GLY A  65
ILE A 282
LEU A 275
 None
FMN  A 401 (-3.3A)
None
None
None
 1.03A 1x7pA-4wzhA:
undetectable
1x7pB-4wzhA:
undetectable		 1x7pA-4wzhA:
21.39
1x7pB-4wzhA:
21.39
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.
4x68 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00144
(Beta-lactamase) 		6 THR A 346
GLY A 348
GLY A 229
ILE A  88
LEU A 366
ALA A 351
 None
 1.49A 1x7pA-4x68A:
undetectable
1x7pB-4x68A:
undetectable		 1x7pA-4x68A:
21.11
1x7pB-4x68A:
21.11
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.
4xbo TRNA
(CYTIDINE/URIDINE-2'
-O-)-METHYLTRANSFERA
SE TRMJ

(Escherichia
coli) 		PF00588
(SpoU_methylase) 		6 THR A  79
GLY A 114
GLY A 119
ILE A 134
LEU A 143
ALA A 148
 SAH  A 301 (-3.4A)
SAH  A 301 (-2.9A)
SAH  A 301 (-3.2A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.8A)
SAH  A 301 (-3.6A)
 0.51A 1x7pA-4xboA:
16.8
1x7pB-4xboA:
16.9		 1x7pA-4xboA:
24.20
1x7pB-4xboA:
24.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xvg ALKYL HYDROPEROXIDE
REDUCTASE SUBUNIT F

(Escherichia
coli) 		PF07992
(Pyr_redox_2)
PF13192
(Thioredoxin_3) 		5 GLU A 385
GLY A 367
GLY A 364
ILE A 409
LEU A 384
 None
 1.03A 1x7pA-4xvgA:
undetectable
1x7pB-4xvgA:
2.3		 1x7pA-4xvgA:
20.34
1x7pB-4xvgA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 6 GLY B 101
GLY B 106
ILE B 120
MET B 122
LEU B 129
ALA B 134
 MTA  B 401 (-3.2A)
MTA  B 401 (-3.2A)
MTA  B 401 (-3.7A)
MTA  B 401 (-3.4A)
MTA  B 401 (-4.3A)
MTA  B 401 (-3.5A)
 0.56A 1x7pA-5co4B:
19.4
1x7pB-5co4B:
19.6		 1x7pA-5co4B:
26.07
1x7pB-5co4B:
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.
5egn ESTERASE

(uncultured
bacterium) 		PF12697
(Abhydrolase_6) 		5 THR A 206
GLU A 233
GLY A 231
LEU A 234
ALA A 226
 None
 0.98A 1x7pA-5egnA:
undetectable
1x7pB-5egnA:
2.1		 1x7pA-5egnA:
21.85
1x7pB-5egnA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5elp NRPS/PKS PROTEIN

(Bacillus
amyloliquefaciens) 		no annotation 5 GLY C 249
GLY C 207
ILE C 107
LEU C 252
ALA C 106
 None
 1.14A 1x7pA-5elpC:
undetectable
1x7pB-5elpC:
undetectable		 1x7pA-5elpC:
17.94
1x7pB-5elpC:
17.94
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.
5gmb TRNA
(CYTIDINE/URIDINE-2'
-O-)-METHYLTRANSFERA
SE TRMJ

(Pseudomonas
aeruginosa) 		PF00588
(SpoU_methylase) 		6 THR A  79
GLY A 115
GLY A 120
ILE A 135
LEU A 144
ALA A 149
 None
 0.72A 1x7pA-5gmbA:
18.4
1x7pB-5gmbA:
18.6		 1x7pA-5gmbA:
22.34
1x7pB-5gmbA:
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.
5hfj ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA)

(Helicobacter
pylori) 		PF01555
(N6_N4_Mtase) 		5 ASP A 193
GLY A 199
GLY A 197
ILE A 181
ALA A 204
 None
None
SAM  A 301 (-3.4A)
None
None
 0.99A 1x7pA-5hfjA:
undetectable
1x7pB-5hfjA:
undetectable		 1x7pA-5hfjA:
20.07
1x7pB-5hfjA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i5d INNER MEMBRANE
PROTEIN YEJM

(Salmonella
enterica) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		5 THR A 266
GLY A 450
GLY A 269
ILE A 446
LEU A 473
 None
 1.17A 1x7pA-5i5dA:
undetectable
1x7pB-5i5dA:
undetectable		 1x7pA-5i5dA:
20.77
1x7pB-5i5dA:
20.77
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.
5i5h INNER MEMBRANE
PROTEIN YEJM

(Escherichia
coli) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		5 THR A 266
GLY A 450
GLY A 269
ILE A 446
LEU A 473
 None
 1.17A 1x7pA-5i5hA:
undetectable
1x7pB-5i5hA:
undetectable		 1x7pA-5i5hA:
19.66
1x7pB-5i5hA:
19.66
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.
5k69 L,D-TRANSPEPTIDASE 2

(Mycobacterium
tuberculosis) 		PF03734
(YkuD) 		5 ARG A 139
ASP A  85
GLY A 135
LEU A  62
ALA A 130
 None
 1.16A 1x7pA-5k69A:
undetectable
1x7pB-5k69A:
undetectable		 1x7pA-5k69A:
22.52
1x7pB-5k69A:
22.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l0z PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY

(Sinorhizobium
meliloti) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		6 THR A 212
GLY A 235
GLY A 240
ILE A 255
LEU A 264
ALA A 269
 SAM  A 304 (-3.7A)
SAM  A 304 (-3.2A)
SAM  A 304 (-3.4A)
SAM  A 304 (-3.9A)
SAM  A 304 (-3.8A)
SAM  A 304 (-3.6A)
 0.38A 1x7pA-5l0zA:
29.3
1x7pB-5l0zA:
29.5		 1x7pA-5l0zA:
32.67
1x7pB-5l0zA:
32.67
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.
5l25 BORON TRANSPORTER 1

(Arabidopsis
thaliana) 		PF00955
(HCO3_cotransp) 		5 ASP A 237
GLY A 239
ILE A  43
MET A 363
ALA A  46
 None
 1.16A 1x7pA-5l25A:
undetectable
1x7pB-5l25A:
undetectable		 1x7pA-5l25A:
19.82
1x7pB-5l25A:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l38 MSM0272 - RMM
MICROCOMPARTMENT
SHELL PROTEIN

(Mycolicibacterium
smegmatis) 		PF00936
(BMC) 		5 GLY A  13
GLY A  41
ILE A   9
LEU A  71
ALA A  65
 None
 1.06A 1x7pA-5l38A:
undetectable
1x7pB-5l38A:
undetectable		 1x7pA-5l38A:
16.03
1x7pB-5l38A:
16.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lh9 OMEGA TRANSAMINASE

(Pseudomonas sp.) 		PF00202
(Aminotran_3) 		5 ASP A 255
GLY A 155
GLY A 150
ILE A 279
ALA A 122
 PLP  A1001 (-2.4A)
None
PLP  A1001 (-3.1A)
None
None
 1.09A 1x7pA-5lh9A:
2.1
1x7pB-5lh9A:
undetectable		 1x7pA-5lh9A:
22.06
1x7pB-5lh9A:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n4c PROLYL
OLIGOPEPTIDASE

(Galerina
marginata) 		no annotation 5 GLY A 569
GLY A 596
ILE A 521
LEU A 560
ALA A 566
 None
 1.12A 1x7pA-5n4cA:
2.0
1x7pB-5n4cA:
undetectable		 1x7pA-5n4cA:
18.42
1x7pB-5n4cA:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5obu CHAPERONE PROTEIN
DNAK

(Mycoplasma
genitalium) 		no annotation 5 ASP A 471
GLY A 441
GLY A 442
ILE A 455
LEU A 522
 None
 1.16A 1x7pA-5obuA:
undetectable
1x7pB-5obuA:
undetectable		 1x7pA-5obuA:
undetectable
1x7pB-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.
5vbf NAD-DEPENDENT
SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Burkholderia
vietnamiensis) 		PF00171
(Aldedh) 		5 THR A  96
GLU A 105
GLY A 322
GLY A 330
ILE A 107
 None
 1.00A 1x7pA-5vbfA:
undetectable
1x7pB-5vbfA:
2.8		 1x7pA-5vbfA:
21.54
1x7pB-5vbfA:
21.54
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 THR A 268
ASP A 272
GLY A 265
GLY A 304
ILE A 348
 None
None
None
ZN  A 401 ( 4.2A)
EDO  A 408 (-3.9A)
 1.09A 1x7pA-5vi6A:
undetectable
1x7pB-5vi6A:
undetectable		 1x7pA-5vi6A:
20.88
1x7pB-5vi6A:
20.88
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.
5vmk BIFUNCTIONAL PROTEIN
GLMU

(Acinetobacter
baumannii) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3)
PF14602
(Hexapep_2) 		5 GLU A  72
GLY A  55
ILE A  51
MET A  85
ALA A  10
 None
 1.13A 1x7pA-5vmkA:
2.9
1x7pB-5vmkA:
undetectable		 1x7pA-5vmkA:
22.00
1x7pB-5vmkA:
22.00
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.
5xex POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Staphylococcus
aureus) 		no annotation 5 GLY A 501
GLY A 467
ILE A 461
MET A 455
ALA A 463
 None
 1.13A 1x7pA-5xexA:
undetectable
1x7pB-5xexA:
undetectable		 1x7pA-5xexA:
18.25
1x7pB-5xexA:
18.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xn8 GLYCEROL
DEHYDROGENASE

(unidentified) 		PF00465
(Fe-ADH) 		5 THR A 120
GLY A 272
GLY A 170
ILE A 117
LEU A 164
 None
 1.11A 1x7pA-5xn8A:
undetectable
1x7pB-5xn8A:
undetectable		 1x7pA-5xn8A:
23.10
1x7pB-5xn8A:
23.10
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.
5xrf SNAKE VENOM SERINE
PROTEASE DA-36

(Deinagkistrodon
acutus) 		no annotation 5 THR A 201
GLY A 148
GLY A 150
ILE A 199
ALA A 166
 None
 1.03A 1x7pA-5xrfA:
undetectable
1x7pB-5xrfA:
undetectable		 1x7pA-5xrfA:
undetectable
1x7pB-5xrfA:
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.
5za2 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 6 THR A 318
GLY A 320
GLY A 202
ILE A  62
LEU A 338
ALA A 323
 EPE  A 405 (-4.1A)
None
None
None
None
None
 1.48A 1x7pA-5za2A:
undetectable
1x7pB-5za2A:
undetectable		 1x7pA-5za2A:
undetectable
1x7pB-5za2A:
undetectable