SIMILAR PATTERNS OF AMINO ACIDS FOR 5CDN_G_EVPG2101_1

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.
1bwd PROTEIN
(INOSAMINE-PHOSPHATE
AMIDINOTRANSFERASE)

(Streptomyces
griseus) 		no annotation 4 SER A 245
ASP A 269
ARG A 324
GLY A 284
 None
 0.80A 5cdnA-1bwdA:
0.0
5cdnB-1bwdA:
undetectable		 5cdnA-1bwdA:
23.06
5cdnB-1bwdA:
18.05
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.
1dci DIENOYL-COA
ISOMERASE

(Rattus
norvegicus) 		PF00378
(ECH_1) 		5 SER A  56
GLU A  55
GLY A 174
ASP A 176
GLY A 116
 None
SO4  A   9 ( 4.8A)
None
None
None
 1.09A 5cdnA-1dciA:
0.0
5cdnB-1dciA:
undetectable		 5cdnA-1dciA:
20.41
5cdnB-1dciA:
23.19
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.
1e0c SULFURTRANSFERASE

(Azotobacter
vinelandii) 		PF00581
(Rhodanese) 		4 GLU A 225
GLY A  93
ARG A  97
GLY A  96
 None
 0.81A 5cdnA-1e0cA:
0.0
5cdnB-1e0cA:
3.5		 5cdnA-1e0cA:
18.46
5cdnB-1e0cA:
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.
1gk2 HISTIDINE
AMMONIA-LYASE

(Pseudomonas
putida) 		PF00221
(Lyase_aromatic) 		4 SER A 112
GLY A 144
ASP A 145
GLY A 329
 None
 0.85A 5cdnA-1gk2A:
1.5
5cdnB-1gk2A:
undetectable		 5cdnA-1gk2A:
21.56
5cdnB-1gk2A:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hfu LACCASE 1

(Coprinopsis
cinerea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 SER A 185
GLY A 122
ARG A 121
GLY A  33
 None
 0.86A 5cdnA-1hfuA:
undetectable
5cdnB-1hfuA:
undetectable		 5cdnA-1hfuA:
21.82
5cdnB-1hfuA:
17.81
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.
1io1 PHASE 1 FLAGELLIN

(Salmonella
enterica) 		PF00669
(Flagellin_N)
PF00700
(Flagellin_C)
PF08884
(Flagellin_D3) 		4 GLU A 290
GLY A 328
ASP A 330
GLY A 302
 None
 0.88A 5cdnA-1io1A:
2.4
5cdnB-1io1A:
undetectable		 5cdnA-1io1A:
21.50
5cdnB-1io1A:
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.
1jcf ROD
SHAPE-DETERMINING
PROTEIN MREB

(Thermotoga
maritima) 		PF06723
(MreB_Mbl) 		5 SER A 174
GLU A 173
GLY A  11
ASP A   9
GLY A 156
 None
 1.28A 5cdnA-1jcfA:
0.0
5cdnB-1jcfA:
undetectable		 5cdnA-1jcfA:
22.95
5cdnB-1jcfA:
20.68
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.
1jcf ROD
SHAPE-DETERMINING
PROTEIN MREB

(Thermotoga
maritima) 		PF06723
(MreB_Mbl) 		4 SER A 260
GLU A 259
GLY A 285
GLY A 287
 None
 0.83A 5cdnA-1jcfA:
0.0
5cdnB-1jcfA:
undetectable		 5cdnA-1jcfA:
22.95
5cdnB-1jcfA:
20.68
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.
1k86 CASPASE-7

(Homo sapiens) 		PF00656
(Peptidase_C14) 		5 SER A 275
GLU A 274
GLY A  89
ASP A  93
GLY A 236
 None
 1.44A 5cdnA-1k86A:
0.0
5cdnB-1k86A:
undetectable		 5cdnA-1k86A:
19.04
5cdnB-1k86A:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l1q ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Giardia
intestinalis) 		PF00156
(Pribosyltran) 		4 GLU A 141
GLY A  64
ASP A 125
ARG A  63
 None
None
9DA  A 201 ( 4.6A)
SO4  A 301 (-2.9A)
 0.79A 5cdnA-1l1qA:
undetectable
5cdnB-1l1qA:
2.4		 5cdnA-1l1qA:
16.32
5cdnB-1l1qA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n0w DNA REPAIR PROTEIN
RAD51 HOMOLOG 1

(Homo sapiens) 		PF08423
(Rad51) 		4 GLU A 154
GLY A 333
ASP A 332
GLY A 105
 EDO  A 502 (-2.9A)
None
None
None
 0.88A 5cdnA-1n0wA:
undetectable
5cdnB-1n0wA:
undetectable		 5cdnA-1n0wA:
19.63
5cdnB-1n0wA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		4 GLU A 131
GLY A 224
ARG A 222
GLY A 170
 None
None
FMN  A1730 (-2.8A)
None
 0.73A 5cdnA-1o94A:
undetectable
5cdnB-1o94A:
undetectable		 5cdnA-1o94A:
22.83
5cdnB-1o94A:
13.42
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.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		4 SER A  90
GLU A  91
GLY A  61
GLY A  31
 None
None
BMA  A 996 (-2.6A)
None
 0.77A 5cdnA-1qonA:
undetectable
5cdnB-1qonA:
undetectable		 5cdnA-1qonA:
22.73
5cdnB-1qonA:
14.76
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.
1r6z CHIMERA OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND ARGONAUTE 2

(Drosophila
melanogaster;
Escherichia
coli) 		no annotation 4 GLU P 370
ASP P  64
ARG P  65
GLY P  68
 None
MAL  P 727 (-2.6A)
MAL  P 727 (-4.0A)
None
 0.86A 5cdnA-1r6zP:
undetectable
5cdnB-1r6zP:
undetectable		 5cdnA-1r6zP:
21.74
5cdnB-1r6zP:
19.01
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 SER B 781
GLU B 784
GLY B 457
ASP B 759
ARG B 391
 None
 1.48A 5cdnA-1t3qB:
undetectable
5cdnB-1t3qB:
undetectable		 5cdnA-1t3qB:
21.88
5cdnB-1t3qB:
13.21
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.
1te5 CONSERVED
HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF13230
(GATase_4) 		4 SER A  72
GLU A  73
GLY A  38
GLY A  77
 None
 0.83A 5cdnA-1te5A:
undetectable
5cdnB-1te5A:
undetectable		 5cdnA-1te5A:
19.57
5cdnB-1te5A:
24.05
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.
1u6r CREATINE KINASE, M
CHAIN

(Oryctolagus
cuniculus) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		4 GLU A 274
GLY A 133
ASP A 232
GLY A 289
 None
 0.88A 5cdnA-1u6rA:
1.6
5cdnB-1u6rA:
undetectable		 5cdnA-1u6rA:
22.73
5cdnB-1u6rA:
20.70
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.
1ulr PUTATIVE
ACYLPHOSPHATASE

(Thermus
thermophilus) 		PF00708
(Acylphosphatase) 		4 GLY A  40
ASP A  39
ARG A  41
GLY A  10
 None
 0.74A 5cdnA-1ulrA:
3.0
5cdnB-1ulrA:
undetectable		 5cdnA-1ulrA:
12.06
5cdnB-1ulrA:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v26 LONG-CHAIN-FATTY-ACI
D-COA SYNTHETASE

(Thermus
thermophilus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 GLU A  87
GLY A  72
ASP A  73
GLY A  96
 None
 0.88A 5cdnA-1v26A:
undetectable
5cdnB-1v26A:
undetectable		 5cdnA-1v26A:
24.27
5cdnB-1v26A:
15.87
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.
1vhh SONIC HEDGEHOG

(Mus musculus) 		PF01085
(HH_signal) 		5 SER A  71
GLU A  72
GLY A 128
ASP A 130
GLY A 144
 None
 1.46A 5cdnA-1vhhA:
undetectable
5cdnB-1vhhA:
undetectable		 5cdnA-1vhhA:
16.74
5cdnB-1vhhA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vpe PHOSPHOGLYCERATE
KINASE

(Thermotoga
maritima) 		PF00162
(PGK) 		4 GLU A 366
GLY A 147
ASP A  21
GLY A 376
 None
3PG  A 401 (-4.7A)
3PG  A 401 (-2.9A)
ANP  A 400 (-3.5A)
 0.75A 5cdnA-1vpeA:
undetectable
5cdnB-1vpeA:
undetectable		 5cdnA-1vpeA:
23.51
5cdnB-1vpeA:
19.08
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.
1wdw TRYPTOPHAN SYNTHASE
BETA CHAIN 1

(Pyrococcus
furiosus) 		PF00291
(PALP) 		4 GLY B 374
ASP B 375
ARG B 373
GLY B 372
 None
None
None
PLP  B 400 (-3.4A)
 0.80A 5cdnA-1wdwB:
undetectable
5cdnB-1wdwB:
undetectable		 5cdnA-1wdwB:
20.20
5cdnB-1wdwB:
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.
1x1q TRYPTOPHAN SYNTHASE
BETA CHAIN

(Thermus
thermophilus) 		PF00291
(PALP) 		4 GLY A 403
ASP A 404
ARG A 402
GLY A 401
 None
 0.85A 5cdnA-1x1qA:
undetectable
5cdnB-1x1qA:
undetectable		 5cdnA-1x1qA:
23.80
5cdnB-1x1qA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z45 GAL10 BIFUNCTIONAL
PROTEIN

(Saccharomyces
cerevisiae) 		PF01263
(Aldose_epim)
PF16363
(GDP_Man_Dehyd) 		4 GLU A 485
GLY A 462
ARG A 429
GLY A 428
 None
 0.88A 5cdnA-1z45A:
undetectable
5cdnB-1z45A:
2.7		 5cdnA-1z45A:
22.07
5cdnB-1z45A:
15.88
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.
2dou PROBABLE
N-SUCCINYLDIAMINOPIM
ELATE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00155
(Aminotran_1_2) 		4 GLY A 342
ASP A 325
ARG A 343
GLY A 346
 None
 0.66A 5cdnA-2douA:
1.2
5cdnB-2douA:
undetectable		 5cdnA-2douA:
22.65
5cdnB-2douA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		4 GLU A 355
GLY A 293
ASP A 294
GLY A 291
 None
 0.88A 5cdnA-2dwsA:
undetectable
5cdnB-2dwsA:
undetectable		 5cdnA-2dwsA:
22.31
5cdnB-2dwsA:
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.
2gbs HYPOTHETICAL PROTEIN
RPA0253

(Rhodopseudomonas
palustris) 		PF01878
(EVE) 		4 SER A   8
GLU A   9
GLY A  25
ASP A  85
 None
 0.79A 5cdnA-2gbsA:
undetectable
5cdnB-2gbsA:
undetectable		 5cdnA-2gbsA:
14.78
5cdnB-2gbsA:
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.
2gf1 INSULIN-LIKE GROWTH
FACTOR I

(Homo sapiens) 		PF00049
(Insulin) 		4 GLU A   9
GLY A  22
ARG A  21
GLY A  19
 None
 0.74A 5cdnA-2gf1A:
undetectable
5cdnB-2gf1A:
undetectable		 5cdnA-2gf1A:
9.44
5cdnB-2gf1A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hk0 D-PSICOSE
3-EPIMERASE

(Agrobacterium
tumefaciens) 		PF01261
(AP_endonuc_2) 		4 SER A   8
GLU A  11
GLY A 106
GLY A  67
 SER  A   8 ( 0.0A)
GLU  A  11 ( 0.6A)
GLY  A 106 ( 0.0A)
GLY  A  67 ( 0.0A)
 0.82A 5cdnA-2hk0A:
undetectable
5cdnB-2hk0A:
undetectable		 5cdnA-2hk0A:
23.31
5cdnB-2hk0A:
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.
2i58 SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF13416
(SBP_bac_8) 		4 GLU A  16
GLY A 236
ASP A 237
ARG A 235
 None
 0.87A 5cdnA-2i58A:
undetectable
5cdnB-2i58A:
undetectable		 5cdnA-2i58A:
20.36
5cdnB-2i58A:
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.
2ihm DNA POLYMERASE MU

(Mus musculus) 		PF10391
(DNA_pol_lambd_f)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb)
PF14792
(DNA_pol_B_palm) 		4 GLU A 445
GLY A 324
ARG A 322
GLY A 320
 None
None
None
D3T  A 538 (-3.7A)
 0.83A 5cdnA-2ihmA:
2.1
5cdnB-2ihmA:
undetectable		 5cdnA-2ihmA:
20.95
5cdnB-2ihmA:
17.78
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.
2inv INSULIN
FRUCTOTRANSFERASE

(Bacillus sp.
snu-7) 		no annotation 4 SER A 133
GLY A 271
ASP A 270
GLY A 293
 FRU  A   1 (-2.7A)
None
None
None
 0.88A 5cdnA-2invA:
undetectable
5cdnB-2invA:
undetectable		 5cdnA-2invA:
22.49
5cdnB-2invA:
19.20
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.
2ip2 PROBABLE
PHENAZINE-SPECIFIC
METHYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		4 GLU A 217
GLY A 176
ASP A 198
GLY A 179
 None
 0.89A 5cdnA-2ip2A:
0.9
5cdnB-2ip2A:
undetectable		 5cdnA-2ip2A:
25.00
5cdnB-2ip2A:
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.
2jbh PHOSPHORIBOSYLTRANSF
ERASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00156
(Pribosyltran) 		4 SER A 155
GLY A 180
ASP A 179
GLY A 147
 None
None
None
5GP  A1230 (-3.5A)
 0.86A 5cdnA-2jbhA:
undetectable
5cdnB-2jbhA:
2.7		 5cdnA-2jbhA:
19.27
5cdnB-2jbhA:
19.40
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.
2kd7 PUTATIVE CHITOBIASE

(Bacteroides
thetaiotaomicron) 		PF00754
(F5_F8_type_C) 		4 GLY A  76
ASP A 109
ARG A  77
GLY A  78
 None
 0.84A 5cdnA-2kd7A:
undetectable
5cdnB-2kd7A:
undetectable		 5cdnA-2kd7A:
15.22
5cdnB-2kd7A:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o7r CXE CARBOXYLESTERASE

(Actinidia
eriantha) 		PF07859
(Abhydrolase_3) 		4 GLU A 201
ASP A 295
ARG A 267
GLY A 196
 None
 0.84A 5cdnA-2o7rA:
undetectable
5cdnB-2o7rA:
3.4		 5cdnA-2o7rA:
21.30
5cdnB-2o7rA:
20.71
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.
2oga TRANSAMINASE

(Streptomyces
venezuelae) 		PF01041
(DegT_DnrJ_EryC1) 		4 GLU A  46
GLY A  67
ASP A  69
GLY A 201
 None
PGU  A1020 (-3.4A)
None
None
 0.88A 5cdnA-2ogaA:
0.8
5cdnB-2ogaA:
undetectable		 5cdnA-2ogaA:
21.65
5cdnB-2ogaA:
17.00
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.
2pod MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME

(Burkholderia
pseudomallei) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 301
GLU A 302
GLY A  30
GLY A  32
 None
 0.88A 5cdnA-2podA:
undetectable
5cdnB-2podA:
undetectable		 5cdnA-2podA:
21.69
5cdnB-2podA:
20.35
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 4 SER A 231
GLU A 199
GLY A 181
GLY A 185
 None
 0.69A 5cdnA-2quaA:
undetectable
5cdnB-2quaA:
undetectable		 5cdnA-2quaA:
22.20
5cdnB-2quaA:
16.94
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.
2vre DELTA(3,5)-DELTA(2,4
)-DIENOYL-COA
ISOMERASE

(Homo sapiens) 		PF00378
(ECH_1) 		5 SER A  31
GLU A  30
GLY A 149
ASP A 151
GLY A  91
 None
 1.13A 5cdnA-2vreA:
undetectable
5cdnB-2vreA:
undetectable		 5cdnA-2vreA:
21.95
5cdnB-2vreA:
21.59
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.
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus) 		PF13088
(BNR_2) 		4 SER A 140
GLY A 247
ARG A 265
GLY A 250
 None
None
KDM  A 500 (-2.7A)
None
 0.84A 5cdnA-2xziA:
undetectable
5cdnB-2xziA:
undetectable		 5cdnA-2xziA:
21.84
5cdnB-2xziA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 SER A 821
GLU A 820
GLY A 877
GLY A 840
 None
 0.63A 5cdnA-2yd0A:
2.1
5cdnB-2yd0A:
undetectable		 5cdnA-2yd0A:
19.04
5cdnB-2yd0A:
11.50
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.
3b5q PUTATIVE SULFATASE
YIDJ

(Bacteroides
thetaiotaomicron) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 SER A 373
GLU A 374
GLY A 287
ASP A 286
 None
 0.64A 5cdnA-3b5qA:
undetectable
5cdnB-3b5qA:
undetectable		 5cdnA-3b5qA:
22.46
5cdnB-3b5qA:
16.84
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.
3cia COLD-ACTIVE
AMINOPEPTIDASE

(Colwellia
psychrerythraea) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 GLY A 622
ASP A 625
ARG A 613
GLY A 618
 None
 0.81A 5cdnA-3ciaA:
2.5
5cdnB-3ciaA:
undetectable		 5cdnA-3ciaA:
22.19
5cdnB-3ciaA:
15.71
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.
3dy5 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 SER A 749
GLU A 748
GLY A 819
ASP A 812
GLY A 821
 None
 1.12A 5cdnA-3dy5A:
undetectable
5cdnB-3dy5A:
undetectable		 5cdnA-3dy5A:
18.63
5cdnB-3dy5A:
11.99
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.
3fah ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		4 SER A 692
GLU A 633
GLY A 656
GLY A 660
 None
None
PCD  A 921 (-3.2A)
PCD  A 921 (-3.1A)
 0.76A 5cdnA-3fahA:
undetectable
5cdnB-3fahA:
undetectable		 5cdnA-3fahA:
20.05
5cdnB-3fahA:
12.70
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.
3god CAS1

(Pseudomonas
aeruginosa) 		PF01867
(Cas_Cas1) 		4 GLU A 189
GLY A 261
ARG A 258
GLY A 255
 None
 0.84A 5cdnA-3godA:
undetectable
5cdnB-3godA:
undetectable		 5cdnA-3godA:
21.77
5cdnB-3godA:
20.60
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.
3h8l NADH OXIDASE

(Acidianus
ambivalens) 		PF07992
(Pyr_redox_2) 		4 GLU A  75
GLY A 306
ASP A 307
GLY A  12
 PO4  A2001 (-2.5A)
FAD  A1001 (-3.2A)
FAD  A1001 (-3.2A)
FAD  A1001 (-3.8A)
 0.76A 5cdnA-3h8lA:
undetectable
5cdnB-3h8lA:
2.3		 5cdnA-3h8lA:
21.57
5cdnB-3h8lA:
18.16
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.
3i3w PHOSPHOGLUCOSAMINE
MUTASE

(Francisella
tularensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 GLU A  13
GLY A 216
ARG A 244
GLY A 240
 None
None
SEP  A 101 ( 4.1A)
SEP  A 101 ( 3.3A)
 0.84A 5cdnA-3i3wA:
2.5
5cdnB-3i3wA:
undetectable		 5cdnA-3i3wA:
23.52
5cdnB-3i3wA:
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1

(Thermus
thermophilus) 		PF01512
(Complex1_51K)
PF10531
(SLBB)
PF10589
(NADH_4Fe-4S) 		4 SER 1 413
GLY 1 379
ASP 1 383
GLY 1 375
 None
 0.87A 5cdnA-3i9v1:
undetectable
5cdnB-3i9v1:
2.0		 5cdnA-3i9v1:
22.01
5cdnB-3i9v1:
20.99
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.
3kgy BIFUNCTIONAL
DEAMINASE-REDUCTASE
DOMAIN PROTEIN

(Chloroflexus
aurantiacus) 		PF01872
(RibD_C) 		4 GLU A  19
GLY A  93
ARG A  92
GLY A  89
 None
None
None
EDO  A 215 (-3.3A)
 0.76A 5cdnA-3kgyA:
undetectable
5cdnB-3kgyA:
undetectable		 5cdnA-3kgyA:
20.30
5cdnB-3kgyA:
21.10
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.
3l9d PUTATIVE GTP
PYROPHOSPHOKINASE

(Streptococcus
mutans) 		PF04607
(RelA_SpoT) 		5 SER A  49
GLU A  52
GLY A  42
ARG A  75
GLY A  73
 None
 1.07A 5cdnA-3l9dA:
1.8
5cdnB-3l9dA:
undetectable		 5cdnA-3l9dA:
20.43
5cdnB-3l9dA:
22.47
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.
3lda DNA REPAIR PROTEIN
RAD51

(Saccharomyces
cerevisiae) 		PF08423
(Rad51)
PF14520
(HHH_5) 		4 GLU A 212
GLY A 391
ASP A 390
GLY A 163
 None
 0.86A 5cdnA-3ldaA:
undetectable
5cdnB-3ldaA:
undetectable		 5cdnA-3ldaA:
21.72
5cdnB-3ldaA:
19.75
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.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465

(Oleispira
antarctica) 		PF01979
(Amidohydro_1) 		4 SER A 141
GLY A  89
ASP A 148
GLY A 332
 None
 0.86A 5cdnA-3lnpA:
undetectable
5cdnB-3lnpA:
undetectable		 5cdnA-3lnpA:
22.45
5cdnB-3lnpA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n11 CHITINASE A

(Bacillus cereus) 		PF00704
(Glyco_hydro_18) 		4 SER A 146
GLU A 145
GLY A  71
ASP A  72
 None
 0.89A 5cdnA-3n11A:
undetectable
5cdnB-3n11A:
undetectable		 5cdnA-3n11A:
20.56
5cdnB-3n11A:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nre ALDOSE 1-EPIMERASE

(Escherichia
coli) 		PF01263
(Aldose_epim) 		4 SER A 281
GLU A 282
GLY A  84
GLY A  86
 None
 0.89A 5cdnA-3nreA:
undetectable
5cdnB-3nreA:
undetectable		 5cdnA-3nreA:
18.89
5cdnB-3nreA:
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.
3ptw MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Clostridium
perfringens) 		PF00698
(Acyl_transf_1) 		4 SER A  37
GLU A  38
GLY A  17
GLY A  19
 None
 0.75A 5cdnA-3ptwA:
3.0
5cdnB-3ptwA:
undetectable		 5cdnA-3ptwA:
22.25
5cdnB-3ptwA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pve AGRIN, AGRIN PROTEIN

(Mus musculus) 		PF00054
(Laminin_G_1) 		4 GLU A1486
GLY A1493
ASP A1606
ARG A1492
 None
 0.88A 5cdnA-3pveA:
undetectable
5cdnB-3pveA:
undetectable		 5cdnA-3pveA:
17.76
5cdnB-3pveA:
22.89
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.
3r9j SEPTUM
SITE-DETERMINING
PROTEIN MIND

(Escherichia
coli) 		PF01656
(CbiA) 		4 GLU A 225
GLY A  13
ARG A 182
GLY A  15
 None
ADP  A 261 (-3.4A)
ADP  A 261 (-3.5A)
ADP  A 261 (-3.2A)
 0.84A 5cdnA-3r9jA:
undetectable
5cdnB-3r9jA:
3.2		 5cdnA-3r9jA:
21.58
5cdnB-3r9jA:
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.
3r9p ACKA

(Mycobacterium
avium) 		PF00871
(Acetate_kinase) 		4 SER A 216
GLU A 223
GLY A 321
GLY A 199
 None
None
None
PGE  A 390 ( 4.4A)
 0.84A 5cdnA-3r9pA:
undetectable
5cdnB-3r9pA:
undetectable		 5cdnA-3r9pA:
23.90
5cdnB-3r9pA:
19.08
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.
3rcy MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Roseovarius sp.
TM1035) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLU A  48
GLY A 285
ARG A 286
GLY A  92
 None
 0.78A 5cdnA-3rcyA:
undetectable
5cdnB-3rcyA:
undetectable		 5cdnA-3rcyA:
21.73
5cdnB-3rcyA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s29 SUCROSE SYNTHASE 1

(Arabidopsis
thaliana) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		4 GLU A 235
GLY A 327
ASP A 244
GLY A 241
 None
 0.88A 5cdnA-3s29A:
undetectable
5cdnB-3s29A:
2.1		 5cdnA-3s29A:
20.39
5cdnB-3s29A:
12.58
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.
3stb MP18 RNA EDITING
COMPLEX PROTEIN

(Trypanosoma
brucei) 		PF00436
(SSB) 		4 GLU D  77
GLY D  97
ARG D  98
GLY D 125
 None
 0.88A 5cdnA-3stbD:
undetectable
5cdnB-3stbD:
undetectable		 5cdnA-3stbD:
13.36
5cdnB-3stbD:
20.11
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.
3tc8 LEUCINE
AMINOPEPTIDASE

(Parabacteroides
distasonis) 		PF04389
(Peptidase_M28) 		4 GLU A 313
GLY A 148
ASP A 147
GLY A 151
 None
None
ZN  A 350 ( 2.3A)
None
 0.81A 5cdnA-3tc8A:
undetectable
5cdnB-3tc8A:
2.6		 5cdnA-3tc8A:
20.83
5cdnB-3tc8A:
20.13
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.
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima) 		PF13458
(Peripla_BP_6) 		5 SER A  68
GLU A  69
GLY A 242
ASP A 241
GLY A 216
 None
None
PHE  A 400 ( 4.2A)
PHE  A 400 (-2.7A)
None
 1.35A 5cdnA-3td9A:
undetectable
5cdnB-3td9A:
4.2		 5cdnA-3td9A:
20.12
5cdnB-3td9A:
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.
3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE

(Pyrococcus
horikoshii) 		no annotation 4 SER A 215
GLU A 242
GLY A 302
GLY A 226
 None
 0.81A 5cdnA-3u4gA:
undetectable
5cdnB-3u4gA:
undetectable		 5cdnA-3u4gA:
21.82
5cdnB-3u4gA:
18.71
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.
3v8u TRANSFERRIN
BINDING-PROTEIN B

(Neisseria
meningitidis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		4 GLU A 577
GLY A 531
ASP A 386
ARG A 533
 None
 0.88A 5cdnA-3v8uA:
undetectable
5cdnB-3v8uA:
undetectable		 5cdnA-3v8uA:
21.27
5cdnB-3v8uA:
13.59
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.
3vtf UDP-GLUCOSE
6-DEHYDROGENASE

(Pyrobaculum
islandicum) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 SER A 367
GLY A 320
ASP A 353
GLY A 335
 None
 0.83A 5cdnA-3vtfA:
undetectable
5cdnB-3vtfA:
undetectable		 5cdnA-3vtfA:
22.67
5cdnB-3vtfA:
17.00
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.
3wgk CELL DIVISION
PROTEIN FTSZ

(Staphylococcus
aureus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		4 SER A 245
GLY A 196
ARG A 191
GLY A 193
 None
 0.73A 5cdnA-3wgkA:
undetectable
5cdnB-3wgkA:
4.1		 5cdnA-3wgkA:
21.13
5cdnB-3wgkA:
17.09
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.
3x1b LACCASE

(Lentinus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 SER A 115
GLY A  59
ASP A  63
GLY A  24
 None
 0.83A 5cdnA-3x1bA:
undetectable
5cdnB-3x1bA:
undetectable		 5cdnA-3x1bA:
23.60
5cdnB-3x1bA:
15.53
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 GLU A 107
GLY A1044
ARG A 798
GLY A 118
 None
MTE  A3003 (-3.8A)
None
FES  A3001 (-4.4A)
 0.89A 5cdnA-3zyvA:
undetectable
5cdnB-3zyvA:
undetectable		 5cdnA-3zyvA:
16.60
5cdnB-3zyvA:
9.01
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.
4a0k DNA DAMAGE-BINDING
PROTEIN 2

(Danio rerio) 		PF00400
(WD40) 		4 GLU D 324
GLY D 391
ASP D 407
ARG D 392
 None
 0.74A 5cdnA-4a0kD:
undetectable
5cdnB-4a0kD:
undetectable		 5cdnA-4a0kD:
19.59
5cdnB-4a0kD:
17.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a0u TAIL FIBER PROTEIN

(Escherichia
virus T7) 		PF12604
(gp37_C) 		4 GLY A 513
ASP A 512
ARG A 491
GLY A 510
 None
 0.88A 5cdnA-4a0uA:
undetectable
5cdnB-4a0uA:
undetectable		 5cdnA-4a0uA:
17.21
5cdnB-4a0uA:
19.83
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.
4acz ENDO-ALPHA-MANNOSIDA
SE

(Bacteroides
thetaiotaomicron) 		PF16317
(Glyco_hydro_99) 		4 SER B 121
GLY B 244
ASP B 243
GLY B 226
 None
 0.74A 5cdnA-4aczB:
undetectable
5cdnB-4aczB:
undetectable		 5cdnA-4aczB:
21.83
5cdnB-4aczB:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4be9 STEROL ESTERASE

(Ophiostoma
piceae) 		PF00135
(COesterase) 		4 SER A 105
GLU A 106
GLY A  67
GLY A  37
 None
None
NO3  A1557 (-3.2A)
NO3  A1557 ( 4.1A)
 0.83A 5cdnA-4be9A:
undetectable
5cdnB-4be9A:
3.1		 5cdnA-4be9A:
22.07
5cdnB-4be9A:
15.06
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.
4dok SIMILARITY TO
CHALCONE-FLAVONONE
ISOMERASE

(Arabidopsis
thaliana) 		PF02431
(Chalcone) 		4 SER A  81
GLY A 191
ARG A 190
GLY A 188
 None
 0.88A 5cdnA-4dokA:
undetectable
5cdnB-4dokA:
undetectable		 5cdnA-4dokA:
18.92
5cdnB-4dokA:
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.
4dx3 MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 299
GLU A 300
GLY A  30
GLY A  32
 None
 0.89A 5cdnA-4dx3A:
undetectable
5cdnB-4dx3A:
undetectable		 5cdnA-4dx3A:
23.50
5cdnB-4dx3A:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fff LEVAN
FRUCTOTRANSFERASE

(Paenarthrobacter
ureafaciens) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 SER A 334
GLY A 494
ASP A 495
ARG A 421
 None
 0.88A 5cdnA-4fffA:
undetectable
5cdnB-4fffA:
undetectable		 5cdnA-4fffA:
22.28
5cdnB-4fffA:
15.65
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.
4g25 PENTATRICOPEPTIDE
REPEAT-CONTAINING
PROTEIN AT2G32230,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF16953
(PRORP)
PF17177
(PPR_long) 		4 SER A 108
GLY A 160
ARG A 159
GLY A 156
 None
 0.75A 5cdnA-4g25A:
undetectable
5cdnB-4g25A:
undetectable		 5cdnA-4g25A:
22.74
5cdnB-4g25A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE

(Saccharomyces
cerevisiae) 		PF07992
(Pyr_redox_2) 		5 SER A  83
GLU A 126
GLY A 382
ASP A 383
GLY A  64
 SER  A  83 (-0.0A)
GLU  A 126 ( 0.5A)
GLY  A 382 (-0.0A)
ASP  A 383 (-0.5A)
GLY  A  64 (-0.0A)
 1.05A 5cdnA-4g9kA:
undetectable
5cdnB-4g9kA:
2.2		 5cdnA-4g9kA:
22.75
5cdnB-4g9kA:
16.74
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.
4gnr ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN-BRANCHED
CHAIN AMINO ACID
TRANSPORT

(Streptococcus
pneumoniae) 		PF13458
(Peripla_BP_6) 		5 SER A  91
GLU A  92
GLY A 263
ASP A 262
GLY A 237
 None
None
ILE  A 401 (-3.6A)
ILE  A 401 (-2.8A)
None
 1.37A 5cdnA-4gnrA:
undetectable
5cdnB-4gnrA:
2.5		 5cdnA-4gnrA:
19.65
5cdnB-4gnrA:
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.
4gxr MALONYL COA
SYNTHETASE,
BENZOATE-COA LIGASE
CHIMERIC PROTEIN

(Paraburkholderia
xenovorans;
Rhodopseudomonas
palustris) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLU A 145
GLY A 129
ASP A 131
ARG A 133
GLY A 134
 None
 1.07A 5cdnA-4gxrA:
undetectable
5cdnB-4gxrA:
undetectable		 5cdnA-4gxrA:
22.24
5cdnB-4gxrA:
16.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gz7 DIHYDROPYRIMIDINASE

(Tetraodon
nigroviridis) 		PF01979
(Amidohydro_1) 		4 GLU A 446
GLY A  58
ASP A 398
GLY A  90
 None
 0.83A 5cdnA-4gz7A:
undetectable
5cdnB-4gz7A:
undetectable		 5cdnA-4gz7A:
22.06
5cdnB-4gz7A:
17.89
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.
4hpn PUTATIVE
UNCHARACTERIZED
PROTEIN

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 277
GLU A 278
GLY A  44
GLY A  46
 None
 0.88A 5cdnA-4hpnA:
undetectable
5cdnB-4hpnA:
undetectable		 5cdnA-4hpnA:
22.76
5cdnB-4hpnA:
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.
4hqf THROMBOSPONDIN-RELAT
ED ANONYMOUS
PROTEIN, TRAP

(Plasmodium
falciparum) 		PF00092
(VWA) 		4 SER A 171
GLU A 174
GLY A  57
GLY A  55
 CL  A 401 ( 3.9A)
None
None
None
 0.63A 5cdnA-4hqfA:
undetectable
5cdnB-4hqfA:
undetectable		 5cdnA-4hqfA:
19.21
5cdnB-4hqfA:
21.79
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.
4i70 INOSINE-ADENOSINE-GU
ANOSINE-NUCLEOSIDE
HYDROLASE

(Trypanosoma
brucei) 		PF01156
(IU_nuc_hydro) 		4 GLY A 181
ASP A 180
ARG A 293
GLY A 171
 None
 0.82A 5cdnA-4i70A:
undetectable
5cdnB-4i70A:
undetectable		 5cdnA-4i70A:
21.91
5cdnB-4i70A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ijn ACETATE KINASE

(Mycolicibacterium
smegmatis) 		PF00871
(Acetate_kinase) 		4 SER A 208
GLU A 215
GLY A 313
GLY A 191
 None
None
None
AMP  A 402 (-3.4A)
 0.86A 5cdnA-4ijnA:
undetectable
5cdnB-4ijnA:
undetectable		 5cdnA-4ijnA:
23.90
5cdnB-4ijnA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j6o METALLOPHOSPHOESTERA
SE

(Ruminiclostridium
thermocellum) 		PF00149
(Metallophos) 		4 GLU A 340
GLY A 186
ASP A 392
GLY A 232
 None
None
MN  A 508 ( 4.7A)
None
 0.85A 5cdnA-4j6oA:
undetectable
5cdnB-4j6oA:
undetectable		 5cdnA-4j6oA:
19.63
5cdnB-4j6oA:
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.
4j8b COATOMER ALPHA
SUBUNIT

(Schizosaccharomyces
pombe) 		PF00400
(WD40) 		4 GLY A  72
ASP A  73
ARG A  57
GLY A  58
 None
 0.69A 5cdnA-4j8bA:
undetectable
5cdnB-4j8bA:
undetectable		 5cdnA-4j8bA:
18.88
5cdnB-4j8bA:
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.
4jlv C-TERMINAL FRAGMENT
OF MEMBRANE PROTEIN
CAPA1, PUTATIVE
UNCHARACTERIZED
PROTEIN CAPB1

(Staphylococcus
aureus) 		PF13614
(AAA_31) 		4 SER A1203
GLU A1199
GLY A1078
ASP A1157
 None
None
None
MG  A1302 ( 4.7A)
 0.84A 5cdnA-4jlvA:
undetectable
5cdnB-4jlvA:
undetectable		 5cdnA-4jlvA:
19.50
5cdnB-4jlvA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jn7 ENOLASE

(Agrobacterium
tumefaciens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 273
GLU A 274
GLY A  31
GLY A  33
 None
 0.73A 5cdnA-4jn7A:
undetectable
5cdnB-4jn7A:
undetectable		 5cdnA-4jn7A:
21.15
5cdnB-4jn7A:
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.
4kw7 ARSENIC
METHYLTRANSFERASE

(Cyanidioschyzon
sp. 5508) 		PF13847
(Methyltransf_31) 		4 SER A 272
ASP A  97
ARG A  96
GLY A  71
 None
 0.88A 5cdnA-4kw7A:
undetectable
5cdnB-4kw7A:
undetectable		 5cdnA-4kw7A:
21.74
5cdnB-4kw7A:
21.29
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.
4mco TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Rhodoferax
ferrireducens) 		PF03480
(DctP) 		4 GLU A 226
GLY A 234
ASP A 283
GLY A 155
 None
 0.54A 5cdnA-4mcoA:
undetectable
5cdnB-4mcoA:
undetectable		 5cdnA-4mcoA:
20.73
5cdnB-4mcoA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o7m TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Shewanella
loihica) 		PF03480
(DctP) 		4 SER A 236
GLU A 235
ARG A 176
GLY A 213
 None
None
LMR  A 401 (-2.9A)
None
 0.77A 5cdnA-4o7mA:
undetectable
5cdnB-4o7mA:
undetectable		 5cdnA-4o7mA:
20.97
5cdnB-4o7mA:
18.40
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.
4o94 TRAP DICARBOXYLATE
TRANSPORTER DCTP
SUBUNIT

(Rhodopseudomonas
palustris) 		PF03480
(DctP) 		4 SER A 229
GLU A 228
ARG A 169
GLY A 206
 None
None
SIN  A 403 (-3.0A)
None
 0.80A 5cdnA-4o94A:
0.8
5cdnB-4o94A:
undetectable		 5cdnA-4o94A:
20.33
5cdnB-4o94A:
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.
4oht SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00171
(Aldedh) 		4 SER A 439
GLU A 440
GLY A 389
GLY A 428
 None
 0.89A 5cdnA-4ohtA:
undetectable
5cdnB-4ohtA:
undetectable		 5cdnA-4ohtA:
22.20
5cdnB-4ohtA:
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.
4qb9 ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN

(Mycolicibacterium
smegmatis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 SER A 121
GLU A 122
GLY A 130
ARG A 128
GLY A 127
 PAR  A 500 (-3.0A)
None
None
None
None
 1.49A 5cdnA-4qb9A:
undetectable
5cdnB-4qb9A:
undetectable		 5cdnA-4qb9A:
21.00
5cdnB-4qb9A:
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.
4rmx PHI92_GP150

(Enterobacteria
phage phi92) 		no annotation 4 GLY A 658
ASP A 657
ARG A 662
GLY A 660
 None
 0.84A 5cdnA-4rmxA:
undetectable
5cdnB-4rmxA:
undetectable		 5cdnA-4rmxA:
20.72
5cdnB-4rmxA:
14.68
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.
4s38 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF04551
(GcpE) 		4 SER A  52
GLU A  53
ARG A 110
GLY A  86
 None
None
None
KCX  A 108 ( 4.0A)
 0.87A 5cdnA-4s38A:
undetectable
5cdnB-4s38A:
undetectable		 5cdnA-4s38A:
23.06
5cdnB-4s38A:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u7l LEUCINE-RICH REPEATS
AND
IMMUNOGLOBULIN-LIKE
DOMAINS PROTEIN 1

(Homo sapiens) 		PF01463
(LRRCT)
PF13855
(LRR_8) 		4 GLU A 271
GLY A 340
ASP A 342
GLY A 313
 None
 0.81A 5cdnA-4u7lA:
undetectable
5cdnB-4u7lA:
undetectable		 5cdnA-4u7lA:
22.00
5cdnB-4u7lA:
17.17