SIMILAR PATTERNS OF AMINO ACIDS FOR 5KC4_E_RBFE201_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.
1b4e PROTEIN
(5-AMINOLEVULINIC
ACID DEHYDRATASE)

(Escherichia
coli) 		PF00490
(ALAD) 		5 ASP A  86
GLY A  89
ASN A 146
LEU A 147
ALA A 166
 None
 1.14A 5kc4E-1b4eA:
0.0		 5kc4E-1b4eA:
20.18
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.
1bf2 ISOAMYLASE

(Pseudomonas
amyloderamosa) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ASP A 105
GLY A 108
ASN A 322
ASN A 386
ASN A 346
 None
 1.39A 5kc4E-1bf2A:
0.0		 5kc4E-1bf2A:
12.03
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.
1bw3 BARWIN, BASIC BARLEY
SEED PROTEIN

(Hordeum vulgare) 		PF00967
(Barwin) 		5 LEU A  67
ASP A  92
GLY A  90
ALA A   3
PHE A 120
 None
 1.22A 5kc4E-1bw3A:
undetectable		 5kc4E-1bw3A:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1crz TOLB PROTEIN

(Escherichia
coli) 		PF04052
(TolB_N)
PF07676
(PD40) 		5 ASP A 386
GLY A  45
ASN A  43
ALA A 141
ASN A 364
 None
 1.40A 5kc4E-1crzA:
undetectable		 5kc4E-1crzA:
20.52
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.
1ej6 LAMBDA1

(Reovirus sp.) 		no annotation 5 ASP B 616
GLY B 618
MET B 655
ASN B 654
LEU B 652
 None
 1.18A 5kc4E-1ej6B:
0.8		 5kc4E-1ej6B:
9.60
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.
1euz GLUTAMATE
DEHYDROGENASE

(Thermococcus
profundus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A 194
ASN A 344
LEU A 342
ALA A 380
LYS A  93
 None
 1.20A 5kc4E-1euzA:
1.2		 5kc4E-1euzA:
19.04
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.
1gju MALTODEXTRIN
GLYCOSYLTRANSFERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09083
(DUF1923) 		5 LEU A 175
GLY A  49
LEU A   3
ALA A 186
PHE A 178
 None
 1.24A 5kc4E-1gjuA:
undetectable		 5kc4E-1gjuA:
15.70
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.
1gz7 LIPASE 2

(Diutina rugosa) 		PF00135
(COesterase) 		5 GLU A 341
LEU A 344
ASP A 452
LEU A 442
ALA A  77
 None
 0.93A 5kc4E-1gz7A:
undetectable		 5kc4E-1gz7A:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hkg HEXOKINASE A

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 ASP A 431
GLY A 434
LEU A 133
PHE A 119
ASN A 116
 None
 1.15A 5kc4E-1hkgA:
1.8		 5kc4E-1hkgA:
16.59
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.
1ir6 EXONUCLEASE RECJ

(Thermus
thermophilus) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 LEU A 225
ASP A  84
GLY A 217
LEU A 237
ALA A 261
 None
MN  A1434 (-3.4A)
None
None
None
 1.08A 5kc4E-1ir6A:
0.9		 5kc4E-1ir6A:
17.92
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.
1mio NITROGENASE
MOLYBDENUM IRON
PROTEIN (BETA CHAIN)

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		5 GLY B  27
MET B  29
LEU B  33
ALA B  64
PHE B  60
 None
 1.20A 5kc4E-1mioB:
0.0		 5kc4E-1mioB:
17.39
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.
1n4o L2 BETA-LACTAMASE

(Stenotrophomonas
maltophilia) 		PF13354
(Beta-lactamase2) 		5 GLY A  45
ALA A 243
ASN A 245
PHE A 172
LYS A 174
 None
 1.39A 5kc4E-1n4oA:
undetectable		 5kc4E-1n4oA:
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.
1p43 ENOLASE 1

(Saccharomyces
cerevisiae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 GLU A 295
LEU A 166
GLY A 244
LEU A 154
ALA A 224
 MG  A 438 ( 2.9A)
None
None
None
None
 1.30A 5kc4E-1p43A:
undetectable		 5kc4E-1p43A:
19.60
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.
1qh4 CREATINE KINASE

(Gallus gallus) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 GLU A 232
LEU A 142
GLY A 134
ASN A 286
LEU A 287
 None
 1.15A 5kc4E-1qh4A:
undetectable		 5kc4E-1qh4A:
17.68
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.
1qk1 CREATINE KINASE,
UBIQUITOUS
MITOCHONDRIAL

(Homo sapiens) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 GLU A 227
LEU A 137
GLY A 129
ASN A 281
LEU A 282
 None
 1.33A 5kc4E-1qk1A:
undetectable		 5kc4E-1qk1A:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r4p SHIGA-LIKE TOXIN
TYPE II A SUBUNIT

(Escherichia
coli) 		PF00161
(RIP) 		5 GLU A 277
LEU A 209
GLY A 203
ASN A 201
LEU A 198
 None
 1.34A 5kc4E-1r4pA:
undetectable		 5kc4E-1r4pA:
20.40
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.
1thg LIPASE 2

(Galactomyces
candidus) 		PF00135
(COesterase) 		5 LEU A  91
ASP A  65
GLY A  67
LEU A  73
ALA A 357
 None
 1.39A 5kc4E-1thgA:
undetectable		 5kc4E-1thgA:
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.
1u0m PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ASP A 190
GLY A 189
ASN A 303
ASN A 185
PHE A 233
 None
None
None
GOL  A2000 ( 2.9A)
15P  A1000 (-4.1A)
 1.28A 5kc4E-1u0mA:
undetectable		 5kc4E-1u0mA:
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.
1u6r CREATINE KINASE, M
CHAIN

(Oryctolagus
cuniculus) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 GLU A 231
LEU A 141
GLY A 133
ASN A 285
LEU A 286
 None
 1.15A 5kc4E-1u6rA:
undetectable		 5kc4E-1u6rA:
18.06
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.
1v1p EXOTOXIN 1

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB) 		5 GLU A  72
LEU A  67
ASP A 194
GLY A 193
LEU A  64
 None
 1.38A 5kc4E-1v1pA:
undetectable		 5kc4E-1v1pA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yga HYPOTHETICAL 37.9
KDA PROTEIN IN
BIO3-HXT17
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF01263
(Aldose_epim) 		5 LEU A 232
GLY A 303
ASN A 180
LEU A 181
ALA A 268
 None
 1.18A 5kc4E-1ygaA:
undetectable		 5kc4E-1ygaA:
22.52
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.
1z45 GAL10 BIFUNCTIONAL
PROTEIN

(Saccharomyces
cerevisiae) 		PF01263
(Aldose_epim)
PF16363
(GDP_Man_Dehyd) 		5 LEU A 591
GLY A 661
ASN A 541
LEU A 542
ALA A 626
 None
 1.19A 5kc4E-1z45A:
undetectable		 5kc4E-1z45A:
14.61
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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 LEU A 259
GLY A 265
LEU A 268
ALA A 286
PHE A 164
 None
 1.18A 5kc4E-1z8lA:
undetectable		 5kc4E-1z8lA:
15.41
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.
1zxo CONSERVED
HYPOTHETICAL PROTEIN
Q8A1P1

(Bacteroides
thetaiotaomicron) 		no annotation 5 GLY A 136
ASN A 191
ALA A  66
PHE A  35
ASN A  32
 None
 1.16A 5kc4E-1zxoA:
undetectable		 5kc4E-1zxoA:
24.31
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.
1zy2 TRANSCRIPTIONAL
REGULATOR NTRC1

(Aquifex
aeolicus) 		PF00072
(Response_reg) 		5 GLU A  61
LEU A  50
ASP A  56
GLY A  33
LEU A  40
 None
PHD  A  51 ( 3.8A)
None
None
None
 1.34A 5kc4E-1zy2A:
1.8		 5kc4E-1zy2A:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2chr CHLOROMUCONATE
CYCLOISOMERASE

(Cupriavidus
necator) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLU A  58
GLY A 274
ASN A 272
LEU A 248
ALA A 254
 None
 1.26A 5kc4E-2chrA:
undetectable		 5kc4E-2chrA:
18.97
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.
2ef0 ORNITHINE
CARBAMOYLTRANSFERASE

(Thermus
thermophilus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ASP A 162
GLY A 163
ASN A 168
LEU A 171
ALA A 201
 None
 1.31A 5kc4E-2ef0A:
undetectable		 5kc4E-2ef0A:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2l4v CYSTATIN

(Ananas comosus) 		PF16845
(SQAPI) 		5 LEU A  62
GLY A  56
ASN A  53
LEU A  51
ALA A  86
 None
 1.34A 5kc4E-2l4vA:
undetectable		 5kc4E-2l4vA:
19.13
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.
2o04 PECTATE LYASE

(Bacillus
subtilis) 		PF00544
(Pec_lyase_C) 		5 GLY A 394
ASN A 240
ASN A 202
PHE A 159
ASN A 185
 None
 1.22A 5kc4E-2o04A:
undetectable		 5kc4E-2o04A:
18.53
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.
2qgh DIAMINOPIMELATE
DECARBOXYLASE

(Helicobacter
pylori) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 GLU A 259
GLY A  89
ASN A 109
LEU A 108
ALA A 100
 PLP  A 406 (-3.7A)
None
None
GOL  A1003 (-4.1A)
None
 1.39A 5kc4E-2qghA:
undetectable		 5kc4E-2qghA:
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.
2r4j AEROBIC
GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF01266
(DAO)
PF16901
(DAO_C) 		5 LEU A 451
ASP A 441
GLY A 443
LEU A 467
ALA A 463
 None
 1.39A 5kc4E-2r4jA:
undetectable		 5kc4E-2r4jA:
17.34
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.
2y35 LD22664P

(Drosophila
melanogaster) 		PF03159
(XRN_N) 		5 GLU A 852
ASP A1111
GLY A1080
LEU A1136
ALA A1135
 None
 1.28A 5kc4E-2y35A:
undetectable		 5kc4E-2y35A:
10.87
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.
3azq AMINOPEPTIDASE

(Streptomyces
morookaense) 		PF00326
(Peptidase_S9) 		5 GLU A 248
LEU A 195
ASP A 134
GLY A 192
ALA A 222
 None
 1.21A 5kc4E-3azqA:
undetectable		 5kc4E-3azqA:
13.09
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.
3dip ENOLASE

(unidentified) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 292
ASP A 244
GLY A 268
LEU A 282
ALA A 310
 None
 1.07A 5kc4E-3dipA:
undetectable		 5kc4E-3dipA:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e5z PUTATIVE
GLUCONOLACTONASE

(Deinococcus
radiodurans) 		PF08450
(SGL) 		5 GLU A 248
LEU A   3
ASP A 237
GLY A 238
LEU A 271
 None
 1.30A 5kc4E-3e5zA:
undetectable		 5kc4E-3e5zA:
19.93
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.
3f3z CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		5 GLY A 211
MET A 214
LEU A 218
ALA A 255
PHE A 243
 None
 1.37A 5kc4E-3f3zA:
undetectable		 5kc4E-3f3zA:
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.
3g85 TRANSCRIPTIONAL
REGULATOR (LACI
FAMILY)

(Clostridium
acetobutylicum) 		PF13377
(Peripla_BP_3) 		5 ASP A 251
GLY A 278
ALA A 195
PHE A 151
ASN A 152
 None
None
GOL  A 401 ( 4.4A)
None
GOL  A 401 (-4.6A)
 1.29A 5kc4E-3g85A:
undetectable		 5kc4E-3g85A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g85 TRANSCRIPTIONAL
REGULATOR (LACI
FAMILY)

(Clostridium
acetobutylicum) 		PF13377
(Peripla_BP_3) 		5 GLU A 300
GLY A 278
ALA A 195
PHE A 151
ASN A 152
 None
None
GOL  A 401 ( 4.4A)
None
GOL  A 401 (-4.6A)
 1.10A 5kc4E-3g85A:
undetectable		 5kc4E-3g85A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gd9 LAMINARIPENTAOSE-PRO
DUCING
BETA-1,3-GULUASE
(LPHASE)

(Streptomyces
matensis) 		PF16483
(Glyco_hydro_64) 		5 LEU A 157
GLY A  76
ASN A  59
LEU A  43
ALA A 393
 None
 1.35A 5kc4E-3gd9A:
undetectable		 5kc4E-3gd9A:
19.11
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.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii) 		PF00294
(PfkB) 		5 LEU A  67
GLY A 284
ALA A 276
ASN A 299
ASN A  63
 None
 1.40A 5kc4E-3hj6A:
undetectable		 5kc4E-3hj6A:
20.44
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.
3hq0 CATECHOL
2,3-DIOXYGENASE

(Pseudomonas
alkylphenolica) 		PF00903
(Glyoxalase) 		5 GLY A  22
ASN A  18
LEU A  17
ALA A  64
ASN A 264
 None
 1.40A 5kc4E-3hq0A:
undetectable		 5kc4E-3hq0A:
16.93
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.
3jzj ACARBOSE/MALTOSE
BINDING PROTEIN GACH

(Streptomyces
glaucescens) 		PF13416
(SBP_bac_8) 		5 ASP A 179
GLY A 233
MET A 237
ASN A 235
ASN A 251
 None
 0.96A 5kc4E-3jzjA:
undetectable		 5kc4E-3jzjA:
19.85
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.
3ltm ALPHA-REP4

(synthetic
construct) 		PF02985
(HEAT)
PF03130
(HEAT_PBS)
PF13646
(HEAT_2) 		5 GLU A  80
LEU A  86
GLY A  78
LEU A  55
ALA A  70
 None
 1.23A 5kc4E-3ltmA:
undetectable		 5kc4E-3ltmA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lub PUTATIVE CREATININE
AMIDOHYDROLASE

(Bacteroides
fragilis) 		PF02633
(Creatininase) 		5 LEU A  37
ASP A 214
GLY A 185
LEU A 181
ALA A 223
 None
 1.38A 5kc4E-3lubA:
undetectable		 5kc4E-3lubA:
24.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m4x NOL1/NOP2/SUN FAMILY
PROTEIN

(Enterococcus
faecium) 		PF01189
(Methyltr_RsmB-F)
PF13636
(Methyltranf_PUA)
PF17125
(Methyltr_RsmF_N)
PF17126
(RsmF_methylt_CI) 		5 LEU A 372
ASP A 376
GLY A 375
LEU A 345
ALA A 341
 None
 1.38A 5kc4E-3m4xA:
undetectable		 5kc4E-3m4xA:
16.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p5n RIBOFLAVIN UPTAKE
PROTEIN

(Staphylococcus
aureus) 		PF12822
(ECF_trnsprt) 		8 LEU A  42
ASP A  81
GLY A  84
ASN A  88
ASN A 131
PHE A 163
ASN A 164
LYS A 167
 RBF  A 190 (-4.6A)
RBF  A 190 (-3.0A)
RBF  A 190 (-3.1A)
RBF  A 190 ( 4.9A)
RBF  A 190 (-3.6A)
RBF  A 190 (-4.5A)
RBF  A 190 (-3.3A)
RBF  A 190 (-3.2A)
 0.95A 5kc4E-3p5nA:
23.4		 5kc4E-3p5nA:
33.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p5n RIBOFLAVIN UPTAKE
PROTEIN

(Staphylococcus
aureus) 		PF12822
(ECF_trnsprt) 		7 LEU A  42
ASP A  81
GLY A  84
LEU A 127
PHE A 163
ASN A 164
LYS A 167
 RBF  A 190 (-4.6A)
RBF  A 190 (-3.0A)
RBF  A 190 (-3.1A)
RBF  A 190 (-4.1A)
RBF  A 190 (-4.5A)
RBF  A 190 (-3.3A)
RBF  A 190 (-3.2A)
 1.29A 5kc4E-3p5nA:
23.4		 5kc4E-3p5nA:
33.83
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.
3pxn KINESIN-LIKE PROTEIN
NOD

(Drosophila
melanogaster) 		PF00225
(Kinesin) 		5 LEU A 113
ASP A 119
GLY A 118
LEU A 174
ALA A 139
 None
 1.27A 5kc4E-3pxnA:
undetectable		 5kc4E-3pxnA:
19.02
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.
3q3u LIGNIN PEROXIDASE

(Trametopsis
cervina) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 GLU A  78
LEU A 143
ASP A  68
GLY A  65
ALA A  56
 CA  A 340 ( 4.5A)
None
CA  A 340 (-3.0A)
None
None
 1.17A 5kc4E-3q3uA:
undetectable		 5kc4E-3q3uA:
20.59
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.
3q5i PROTEIN KINASE

(Plasmodium
berghei) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 GLY A 253
MET A 256
LEU A 260
ALA A 297
PHE A 285
 None
 1.37A 5kc4E-3q5iA:
undetectable		 5kc4E-3q5iA:
17.16
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.
3shd PHOSPHATASE NUDJ

(Escherichia
coli) 		PF00293
(NUDIX) 		5 GLU A  55
ASN A  32
LEU A 118
ALA A 115
ASN A 117
 SO4  A 157 ( 2.4A)
SO4  A 158 ( 3.5A)
None
None
None
 1.35A 5kc4E-3shdA:
undetectable		 5kc4E-3shdA:
20.00
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.
3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 GLY A 229
MET A 232
LEU A 236
ALA A 277
PHE A 265
 None
 1.37A 5kc4E-3sheA:
undetectable		 5kc4E-3sheA:
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.
3stg 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Neisseria
meningitidis) 		PF00793
(DAHP_synth_1) 		5 LEU A 218
ASP A 176
GLY A 179
MET A 183
ASN A  12
 None
 1.34A 5kc4E-3stgA:
undetectable		 5kc4E-3stgA:
24.82
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.
3ta6 TRIOSEPHOSPHATE
ISOMERASE

(Mycobacterium
tuberculosis) 		PF00121
(TIM) 		5 GLU A 172
LEU A 214
GLY A 239
ASN A  10
ALA A  42
 None
 1.36A 5kc4E-3ta6A:
undetectable		 5kc4E-3ta6A:
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.
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus sp.
RS-1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLU A 257
LEU A 242
ASP A 203
GLY A 204
ALA A 210
 SO4  A 374 ( 4.3A)
None
SO4  A 374 (-3.1A)
None
None
 1.26A 5kc4E-3u9iA:
undetectable		 5kc4E-3u9iA:
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.
3vu1 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0242

(Pyrococcus
horikoshii) 		no annotation 5 ASP A 551
GLY A 552
ASN A 553
ALA A 765
ASN A 715
 None
None
None
CA  A1001 (-4.8A)
None
 1.29A 5kc4E-3vu1A:
undetectable		 5kc4E-3vu1A:
16.21
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.
3wfo POLY A POLYMERASE

(Aquifex
aeolicus) 		PF01743
(PolyA_pol)
PF01966
(HD)
PF12627
(PolyA_pol_RNAbd) 		5 GLU A 167
LEU A  49
ASP A 158
GLY A 162
LEU A 171
 SO4  A 603 (-4.5A)
None
None
None
None
 1.30A 5kc4E-3wfoA:
undetectable		 5kc4E-3wfoA:
17.85
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.
3wov OLIGOSACCHARYL
TRANSFERASE

(Pyrococcus
abyssi) 		no annotation 5 ASP A 552
GLY A 553
ASN A 554
ALA A 767
ASN A 717
 None
 1.23A 5kc4E-3wovA:
undetectable		 5kc4E-3wovA:
19.03
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.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 GLU A 128
ASP A  44
GLY A 249
LEU A 182
ASN A 151
 None
ZN  A1596 (-3.0A)
None
None
None
 1.31A 5kc4E-3zu0A:
undetectable		 5kc4E-3zu0A:
17.62
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.
4aw2 SERINE/THREONINE-PRO
TEIN KINASE MRCK
ALPHA

(Rattus
norvegicus) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		5 GLY A 269
MET A 272
LEU A 276
ALA A 314
PHE A 303
 None
 1.40A 5kc4E-4aw2A:
undetectable		 5kc4E-4aw2A:
18.36
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.
4fj6 GLYCOSIDE HYDROLASE
FAMILY 33, CANDIDATE
SIALIDASE

(Parabacteroides
distasonis) 		PF13859
(BNR_3)
PF14873
(BNR_assoc_N) 		5 LEU A 440
GLY A 416
ALA A 447
ASN A 468
ASN A 409
 None
 1.10A 5kc4E-4fj6A:
undetectable		 5kc4E-4fj6A:
16.60
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.
4fnv HEPARINASE III
PROTEIN, HEPARITIN
SULFATE LYASE

(Bacteroides
thetaiotaomicron) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		5 ASP A 217
GLY A 216
ASN A  93
LEU A 328
ALA A 270
 None
 1.35A 5kc4E-4fnvA:
undetectable		 5kc4E-4fnvA:
13.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gzu FERM, RHOGEF AND
PLECKSTRIN
DOMAIN-CONTAINING
PROTEIN 2

(Mus musculus) 		PF00169
(PH)
PF00621
(RhoGEF) 		5 GLU A 668
LEU A 675
ASP A 745
ASN A 678
LEU A 682
 None
 1.37A 5kc4E-4gzuA:
undetectable		 5kc4E-4gzuA:
15.54
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.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		5 GLY A 444
MET A 321
LEU A 324
ALA A 287
PHE A 342
 None
 1.33A 5kc4E-4n1yA:
undetectable		 5kc4E-4n1yA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT A
NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT B

(Vibrio cholerae) 		PF03116
(NQR2_RnfD_RnfE)
PF05896
(NQRA)
PF11973
(NQRA_SLBB) 		5 GLU A 389
GLY B 356
ASN B 354
ALA B 293
ASN A 379
 None
 1.33A 5kc4E-4p6vA:
undetectable		 5kc4E-4p6vA:
18.41
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.
4q6k BNR/ASP-BOX REPEAT
PROTEIN

(Bacteroides
caccae) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		5 LEU A 460
GLY A 436
ALA A 467
ASN A 488
ASN A 429
 None
 1.12A 5kc4E-4q6kA:
undetectable		 5kc4E-4q6kA:
15.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q85 RIBOSOMAL PROTEIN
S12
METHYLTHIOTRANSFERAS
E ACCESSORY FACTOR
YCAO

(Escherichia
coli) 		PF02624
(YcaO) 		5 ASP A 279
GLY A 281
LEU A 224
ALA A 246
PHE A 343
 None
 1.04A 5kc4E-4q85A:
undetectable		 5kc4E-4q85A:
14.95
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.
4r9g MBP1

(Caldanaerobius
polysaccharolyticus) 		PF13416
(SBP_bac_8) 		5 LEU A 226
ASN A 219
LEU A 214
ALA A 411
PHE A 394
 None
 1.24A 5kc4E-4r9gA:
undetectable		 5kc4E-4r9gA:
17.29
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.
4u09 LIC12759

(Leptospira
interrogans) 		PF13855
(LRR_8) 		5 LEU A 117
ASP A  70
GLY A  72
ASN A  96
ASN A 143
 None
 1.37A 5kc4E-4u09A:
undetectable		 5kc4E-4u09A:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4utg SUGAR KINASE

(Burkholderia
pseudomallei) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 ASP A  22
GLY A  20
MET A 235
ALA A 231
ASN A 223
 None
 1.21A 5kc4E-4utgA:
undetectable		 5kc4E-4utgA:
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.
4xl5 BGFP-A

(synthetic
construct) 		PF02985
(HEAT)
PF13646
(HEAT_2) 		5 GLU C 106
LEU C 112
GLY C 104
LEU C  81
ALA C  96
 None
 1.22A 5kc4E-4xl5C:
undetectable		 5kc4E-4xl5C:
22.10
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.
4xl5 BGFP-A

(synthetic
construct) 		PF02985
(HEAT)
PF13646
(HEAT_2) 		5 GLU C 137
LEU C 143
GLY C 135
LEU C 112
ALA C 127
 None
 1.26A 5kc4E-4xl5C:
undetectable		 5kc4E-4xl5C:
22.10
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.
4ye5 PEPTIDOGLYCAN
SYNTHETASE
PENICILLIN-BINDING
PROTEIN 3

(Bifidobacterium
adolescentis) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 LEU A 373
GLY A 380
MET A 381
ASN A 378
ALA A 327
 None
 1.38A 5kc4E-4ye5A:
undetectable		 5kc4E-4ye5A:
16.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ywr PUTATIVE
HYDROXYMETHYLPYRIMID
INE
KINASE/PHOSPHOMETHYL
PYRIMIDINE KINASE

(Acinetobacter
baumannii) 		PF08543
(Phos_pyr_kin) 		5 ASP A 182
GLY A 178
ASN A 146
LEU A 150
ALA A 162
 None
 1.12A 5kc4E-4ywrA:
undetectable		 5kc4E-4ywrA:
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.
4zv6 ALPHAREP-7

(synthetic
construct) 		PF13646
(HEAT_2) 		5 GLU A 168
LEU A 174
GLY A 166
LEU A 143
ALA A 158
 None
 1.20A 5kc4E-4zv6A:
undetectable		 5kc4E-4zv6A:
23.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b86 TUMOR NECROSIS
FACTOR ALPHA-INDUCED
PROTEIN 2

(Mus musculus) 		PF06046
(Sec6) 		5 LEU A 286
GLY A 217
MET A 220
LEU A 224
ALA A 246
 None
 0.59A 5kc4E-5b86A:
2.4		 5kc4E-5b86A:
14.38
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.
5c2v HYDRAZINE SYNTHASE
BETA SUBUNIT

(Candidatus
Kuenenia
stuttgartiensis) 		PF02239
(Cytochrom_D1) 		5 LEU B 321
GLY B 299
MET B 295
LEU B 302
ALA B 239
 None
 1.32A 5kc4E-5c2vB:
undetectable		 5kc4E-5c2vB:
18.68
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.
5cyl FIMBRIAL SUBUNIT
CUPB6

(Pseudomonas
aeruginosa) 		PF00419
(Fimbrial) 		5 GLU A 237
LEU A 315
LEU A 272
ALA A 337
PHE A 240
 None
 1.35A 5kc4E-5cylA:
undetectable		 5kc4E-5cylA:
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.
5ey7 FRUCTOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		5 ASP A  70
GLY A  73
MET A  76
LEU A  80
ALA A  48
 None
 1.20A 5kc4E-5ey7A:
undetectable		 5kc4E-5ey7A:
18.77
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.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		5 ASP A 207
GLY A 206
LEU A 276
ALA A 149
PHE A 475
 None
 1.35A 5kc4E-5fsaA:
1.9		 5kc4E-5fsaA:
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.
5fu7 CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF04054
(Not1) 		5 LEU A2212
ASP A2259
GLY A2262
ALA A2269
ASN A2216
 None
 1.26A 5kc4E-5fu7A:
undetectable		 5kc4E-5fu7A:
18.00
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.
5ha4 DIAMINOPIMELATE
EPIMERASE

(Acinetobacter
baumannii) 		PF01678
(DAP_epimerase) 		5 GLU A  73
GLY A  10
ASN A  13
LEU A 218
ALA A 246
 None
None
None
MRD  A 302 ( 4.5A)
MRD  A 302 (-3.6A)
 1.39A 5kc4E-5ha4A:
undetectable		 5kc4E-5ha4A:
22.60
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.
5ixx ALR2278 PROTEIN

(Nostoc sp. PCC
7120) 		PF07700
(HNOB) 		5 LEU A 152
ASP A  92
GLY A  91
ASN A 100
LEU A 104
 None
 1.33A 5kc4E-5ixxA:
undetectable		 5kc4E-5ixxA:
22.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kbw RIBOFLAVIN
TRANSPORTER RIBU

(Thermotoga
maritima) 		PF12822
(ECF_trnsprt) 		11 GLU A  24
LEU A  34
ASP A  73
GLY A  76
MET A  79
ASN A  80
LEU A  83
ALA A 119
ASN A 123
PHE A 148
ASN A 149
 RBF  A 201 (-4.1A)
RBF  A 201 (-4.9A)
RBF  A 201 (-4.0A)
RBF  A 201 (-2.9A)
RBF  A 201 (-3.5A)
None
RBF  A 201 (-4.5A)
RBF  A 201 (-3.3A)
RBF  A 201 (-2.1A)
RBF  A 201 (-4.9A)
RBF  A 201 (-1.8A)
 0.71A 5kc4E-5kbwA:
28.4		 5kc4E-5kbwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kbw RIBOFLAVIN
TRANSPORTER RIBU

(Thermotoga
maritima) 		PF12822
(ECF_trnsprt) 		11 GLU A  24
LEU A  34
ASP A  73
GLY A  76
MET A  79
ASN A  80
LEU A  83
ALA A 119
PHE A 148
ASN A 149
LYS A 152
 RBF  A 201 (-4.1A)
RBF  A 201 (-4.9A)
RBF  A 201 (-4.0A)
RBF  A 201 (-2.9A)
RBF  A 201 (-3.5A)
None
RBF  A 201 (-4.5A)
RBF  A 201 (-3.3A)
RBF  A 201 (-4.9A)
RBF  A 201 (-1.8A)
RBF  A 201 (-3.7A)
 0.72A 5kc4E-5kbwA:
28.4		 5kc4E-5kbwA:
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.
5kja APOCAROTENOID-15,15'
-OXYGENASE

(Synechocystis
sp. PCC 6803) 		PF03055
(RPE65) 		5 GLU A 370
LEU A 250
ALA A 280
PHE A 301
ASN A 252
 None
 1.28A 5kc4E-5kjaA:
undetectable		 5kc4E-5kjaA:
15.31
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.
5l2e GLUTAMATE RECEPTOR
IONOTROPIC,
DELTA-2,GLUTAMATE
RECEPTOR IONOTROPIC,
DELTA-2

(Rattus
norvegicus) 		PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 GLY A 301
ASN A 379
LEU A 332
ASN A  54
ASN A 336
 None
 1.25A 5kc4E-5l2eA:
undetectable		 5kc4E-5l2eA:
13.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ll7 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 5 LEU A 169
GLY A 144
LEU A  76
ALA A 135
ASN A 136
 None
 1.29A 5kc4E-5ll7A:
undetectable		 5kc4E-5ll7A:
18.34
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.
5m89 SPLICEOSOME WD40 SC

(Chaetomium
thermophilum) 		no annotation 5 LEU A 201
ASP A 222
GLY A 220
LEU A 209
ALA A 216
 None
 1.34A 5kc4E-5m89A:
undetectable		 5kc4E-5m89A:
19.14
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.
5o2m BREAST CANCER
ANTI-ESTROGEN
RESISTANCE 1

(Homo sapiens) 		PF00018
(SH3_1) 		5 ASP A  43
GLY A  44
ASN A  60
LEU A  62
ALA A  10
 None
 1.12A 5kc4E-5o2mA:
undetectable		 5kc4E-5o2mA:
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.
5ohs -

(-) 		no annotation 5 GLU A 270
ASP A 487
ALA A 439
ASN A 164
PHE A 389
 NSQ  A 709 (-2.6A)
NSQ  A 709 ( 4.8A)
None
None
NSQ  A 709 ( 4.8A)
 1.35A 5kc4E-5ohsA:
undetectable		 5kc4E-5ohsA:
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.
5t76 ALANINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF02272
(DHHA1) 		5 GLY A 186
MET A 171
ASN A 188
LEU A 170
ALA A 195
 None
 1.11A 5kc4E-5t76A:
undetectable		 5kc4E-5t76A:
22.42
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.
5tnx ALCOHOL
DEHYDROGENASE
ZINC-BINDING DOMAIN
PROTEIN

(Burkholderia
ambifaria) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ASP A  50
GLY A  67
LEU A  92
ALA A 154
ASN A 158
 None
 1.18A 5kc4E-5tnxA:
undetectable		 5kc4E-5tnxA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w19 TRYPTOPHANASE

(Proteus
vulgaris) 		no annotation 5 GLU A 411
GLY A 397
ALA A 146
PHE A 130
ASN A 148
 None
 1.10A 5kc4E-5w19A:
undetectable		 5kc4E-5w19A:
22.29
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.
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 LEU A 389
GLY A 453
LEU A 396
ALA A 413
ASN A 408
 None
 1.08A 5kc4E-5x49A:
undetectable		 5kc4E-5x49A:
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.
5xpg UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		no annotation 5 LEU A 473
ASP A 497
GLY A 499
LEU A 502
ALA A 529
 None
 1.27A 5kc4E-5xpgA:
undetectable		 5kc4E-5xpgA:
21.62
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.
5yg7 RIBOSE
1,5-BISPHOSPHATE
ISOMERASE

(Pyrococcus
horikoshii) 		no annotation 5 GLU A 260
ALA A  24
PHE A 281
ASN A 204
LYS A 215
 None
RI2  A 401 (-3.6A)
RI2  A 401 (-4.4A)
RI2  A 401 (-2.7A)
RI2  A 401 (-2.8A)
 1.34A 5kc4E-5yg7A:
undetectable		 5kc4E-5yg7A:
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT B

(Flavobacterium
johnsoniae) 		no annotation 5 LEU B 646
GLY B 649
ASN B 665
ASN B 630
LYS B 627
 None
 1.19A 5kc4E-6btmB:
undetectable		 5kc4E-6btmB:
18.78
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.
6c29 PUTATIVE METAL
RESISTANCE PROTEIN

(Proteus
mirabilis) 		no annotation 5 LEU A  97
GLY A 107
ASN A 106
LEU A 127
ALA A  22
 None
 1.35A 5kc4E-6c29A:
undetectable		 5kc4E-6c29A:
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 5 GLY A2401
LEU A2494
ALA A2421
PHE A2488
LYS A2489
 None
 1.24A 5kc4E-6fb3A:
undetectable		 5kc4E-6fb3A:
17.68