SIMILAR PATTERNS OF AMINO ACIDS FOR 5YBB_A_SAMA601

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.
1bjw ASPARTATE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00155
(Aminotran_1_2) 		5 ALA A 232
GLY A 244
THR A  97
GLY A 100
ASN A 230
 None
LLP  A 234 ( 4.9A)
None
LLP  A 234 ( 3.6A)
None
 1.10A 5ybbA-1bjwA:
undetectable		 5ybbA-1bjwA:
24.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e8c UDP-N-ACETYLMURAMOYL
ALANYL-D-GLUTAMATE--
2,6-DIAMINOPIMELATE
LIGASE

(Escherichia
coli) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ALA A 180
THR A 120
GLY A 141
LEU A 321
PHE A 178
 None
 1.18A 5ybbA-1e8cA:
2.4		 5ybbA-1e8cA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hdi PHOSPHOGLYCERATE
KINASE

(Sus scrofa) 		PF00162
(PGK) 		5 GLY A  68
GLY A 131
PRO A  66
LEU A 153
PHE A 149
 None
 1.07A 5ybbA-1hdiA:
undetectable		 5ybbA-1hdiA:
22.50
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.
1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))
PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(SMALLER SUBUNIT))

(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		PF02906
(Fe_hyd_lg_C)
PF13237
(Fer4_10)
PF02256
(Fe_hyd_SSU) 		5 THR L 294
GLY L 292
PRO L 108
LEU S  88
ASN S  65
 None
None
CYN  L 429 ( 3.6A)
None
None
 1.09A 5ybbA-1hfeL:
undetectable		 5ybbA-1hfeL:
21.20
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.
1ig8 HEXOKINASE PII

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 ALA A 218
GLY A 214
THR A 213
THR A 222
PHE A 105
 None
 1.18A 5ybbA-1ig8A:
undetectable		 5ybbA-1ig8A:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iyn CHLOROPLASTIC
ASCORBATE PEROXIDASE

(Nicotiana
tabacum) 		PF00141
(peroxidase) 		5 ALA A 263
GLY A  51
THR A  38
GLY A  50
PHE A 265
 None
NA  A 298 (-4.3A)
NA  A 298 ( 4.8A)
None
None
 1.14A 5ybbA-1iynA:
undetectable		 5ybbA-1iynA:
20.98
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.
1mns MANDELATE RACEMASE

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 114
GLY A 116
THR A 121
GLY A 344
THR A  41
 None
 1.14A 5ybbA-1mnsA:
undetectable		 5ybbA-1mnsA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA
CYTOCHROME C OXIDASE
POLYPEPTIDE III

(Paracoccus
denitrificans;
Paracoccus
denitrificans) 		PF00115
(COX1)
PF00510
(COX3) 		5 GLY C 214
THR C 213
GLY C 217
THR A 243
LEU A 246
 None
 1.13A 5ybbA-1qleC:
undetectable		 5ybbA-1qleC:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rpt PROSTATIC ACID
PHOSPHATASE

(Rattus
norvegicus) 		PF00328
(His_Phos_2) 		5 ALA A 199
THR A 193
PRO A 192
LEU A 206
PHE A 155
 None
 1.18A 5ybbA-1rptA:
undetectable		 5ybbA-1rptA:
19.89
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.
1s9a CHLOROCATECHOL
1,2-DIOXYGENASE

(Rhodococcus
opacus) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 ALA A  53
GLY A  76
THR A 177
LEU A 180
PHE A  54
 BEZ  A 306 (-4.0A)
BEZ  A 306 ( 3.5A)
None
None
None
 1.16A 5ybbA-1s9aA:
undetectable		 5ybbA-1s9aA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sez PROTOPORPHYRINOGEN
OXIDASE,
MITOCHONDRIAL

(Nicotiana
tabacum) 		PF01593
(Amino_oxidase) 		5 GLY A 175
THR A 176
CYH A 177
GLY A 178
LEU A 420
 OMN  A 601 (-3.6A)
None
None
OMN  A 601 (-3.6A)
None
 0.96A 5ybbA-1sezA:
undetectable		 5ybbA-1sezA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v5w MEIOTIC
RECOMBINATION
PROTEIN DMC1/LIM15
HOMOLOG

(Homo sapiens) 		PF08423
(Rad51) 		5 ALA A 124
GLY A 126
LEU A 139
ASN A 268
PHE A 265
 None
 1.17A 5ybbA-1v5wA:
undetectable		 5ybbA-1v5wA:
20.76
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.
1w6s METHANOL
DEHYDROGENASE
SUBUNIT 1

(Methylobacterium
extorquens) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 GLY A 226
THR A 227
GLY A 224
THR A 279
PHE A 281
 None
 0.93A 5ybbA-1w6sA:
undetectable		 5ybbA-1w6sA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		5 GLY A  59
THR A  60
GLY A  61
ASN A 119
PHE A 133
 SAH  A1001 (-3.3A)
SAH  A1001 (-3.6A)
SAH  A1001 (-4.1A)
SAH  A1001 (-4.6A)
SAH  A1001 (-4.7A)
 0.95A 5ybbA-1wy7A:
13.8		 5ybbA-1wy7A:
21.76
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.
1ynt MAJOR SURFACE
ANTIGEN P30

(Toxoplasma
gondii) 		PF04092
(SAG) 		5 ALA F2046
GLY F2083
THR F2082
THR F2040
LEU F2039
 None
 0.95A 5ybbA-1yntF:
undetectable		 5ybbA-1yntF:
17.93
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.
1zov MONOMERIC SARCOSINE
OXIDASE

(Bacillus sp.
NS-129) 		PF01266
(DAO) 		6 GLY A  88
THR A  87
GLY A 145
PRO A 242
LEU A 117
ASN A 143
 None
 1.38A 5ybbA-1zovA:
undetectable		 5ybbA-1zovA:
21.95
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.
2a9j BISPHOSPHOGLYCERATE
MUTASE

(Homo sapiens) 		PF00300
(His_Phos_1) 		5 GLY A 215
THR A 214
GLY A  12
PRO A 213
ASN A  40
 None
 0.98A 5ybbA-2a9jA:
undetectable		 5ybbA-2a9jA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cdu NADPH OXIDASE

(Lactobacillus
sanfranciscensis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 391
GLY A 389
GLY A 341
LEU A 375
PHE A 193
 None
 1.07A 5ybbA-2cduA:
2.7		 5ybbA-2cduA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d1c ISOCITRATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00180
(Iso_dh) 		5 ALA A 274
GLY A 270
LYS A  10
LEU A 308
ASN A 268
 None
 1.16A 5ybbA-2d1cA:
undetectable		 5ybbA-2d1cA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2epg HYPOTHETICAL PROTEIN
TTHA1785

(Thermus
thermophilus) 		PF01139
(RtcB) 		5 GLY A 385
THR A 386
GLY A 353
LYS A 464
LEU A 225
 None
 1.09A 5ybbA-2epgA:
undetectable		 5ybbA-2epgA:
23.84
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.
2f8l HYPOTHETICAL PROTEIN
LMO1582

(Listeria
monocytogenes) 		PF02384
(N6_Mtase) 		5 ALA A 126
GLY A 128
THR A 129
LEU A 182
PHE A 226
 SAM  A 400 (-3.4A)
SAM  A 400 (-3.3A)
SAM  A 400 (-2.9A)
SAM  A 400 ( 4.8A)
SAM  A 400 (-4.9A)
 0.74A 5ybbA-2f8lA:
25.2		 5ybbA-2f8lA:
22.13
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.
2hnh DNA POLYMERASE III
ALPHA SUBUNIT

(Escherichia
coli) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 ALA A 852
GLY A 856
THR A 869
LEU A 874
ASN A 854
 None
 1.16A 5ybbA-2hnhA:
undetectable		 5ybbA-2hnhA:
21.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2okc TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		6 ALA A 178
GLY A 180
THR A 181
GLY A 182
LEU A 245
PHE A 288
 SAM  A 500 (-3.4A)
SAM  A 500 (-3.2A)
SAM  A 500 (-3.1A)
SAM  A 500 ( 4.5A)
SAM  A 500 ( 4.8A)
SAM  A 500 (-4.8A)
 0.97A 5ybbA-2okcA:
35.6		 5ybbA-2okcA:
30.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2okc TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		6 ALA A 178
GLY A 180
THR A 181
LEU A 245
ASN A 259
PHE A 288
 SAM  A 500 (-3.4A)
SAM  A 500 (-3.2A)
SAM  A 500 (-3.1A)
SAM  A 500 ( 4.8A)
SAM  A 500 (-3.9A)
SAM  A 500 (-4.8A)
 0.71A 5ybbA-2okcA:
35.6		 5ybbA-2okcA:
30.13
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.
2paa PHOSPHOGLYCERATE
KINASE, TESTIS
SPECIFIC

(Mus musculus) 		PF00162
(PGK) 		5 GLY A  68
GLY A 131
PRO A  66
LEU A 153
PHE A 149
 None
 1.04A 5ybbA-2paaA:
undetectable		 5ybbA-2paaA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q17 FORMYLGLYCINE
GENERATING ENZYME

(Streptomyces
coelicolor) 		PF03781
(FGE-sulfatase) 		5 ALA A 262
GLY A 260
THR A 259
PRO A 257
LEU A 265
 None
 1.11A 5ybbA-2q17A:
undetectable		 5ybbA-2q17A:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qz4 PARAPLEGIN

(Homo sapiens) 		PF00004
(AAA) 		5 ALA A 522
GLY A 518
CYH A 353
GLY A 352
LEU A 496
 ADP  A 700 ( 4.0A)
ADP  A 700 (-3.4A)
None
ADP  A 700 (-3.6A)
None
 1.12A 5ybbA-2qz4A:
undetectable		 5ybbA-2qz4A:
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.
2r9h H(+)/CL(-) EXCHANGE
TRANSPORTER CLCA

(Escherichia
coli) 		PF00654
(Voltage_CLC) 		5 GLY A 364
GLY A 395
THR A 344
LEU A 345
PHE A 269
 None
 1.18A 5ybbA-2r9hA:
undetectable		 5ybbA-2r9hA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vaw CELL DIVISION
PROTEIN FTSZ

(Pseudomonas
aeruginosa) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A 104
THR A 103
GLY A  23
LEU A 170
PHE A 136
 GDP  A1317 (-3.1A)
None
None
None
None
 1.16A 5ybbA-2vawA:
undetectable		 5ybbA-2vawA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vsq SURFACTIN SYNTHETASE
SUBUNIT 3

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		6 ALA A 764
GLY A 780
THR A 853
LEU A 635
ASN A 751
PHE A 761
 None
 1.35A 5ybbA-2vsqA:
undetectable		 5ybbA-2vsqA:
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.
2xu0 ERYTHROCYTE MEMBRANE
PROTEIN 1

(Plasmodium
falciparum) 		PF05424
(Duffy_binding)
PF15447
(NTS) 		5 ALA A  22
GLY A 439
LEU A 313
ASN A 437
PHE A 432
 None
 1.09A 5ybbA-2xu0A:
undetectable		 5ybbA-2xu0A:
20.03
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.
2y6i COLLAGENASE

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		5 ALA A 700
THR A 725
THR A 746
LEU A 747
PHE A 782
 None
 1.09A 5ybbA-2y6iA:
undetectable		 5ybbA-2y6iA:
19.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2y7c TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN

(Escherichia
coli) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 ALA B 175
GLY B 177
THR B 178
GLY B 180
ASN B 266
 None
 0.92A 5ybbA-2y7cB:
30.6		 5ybbA-2y7cB:
31.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2y7c TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN

(Escherichia
coli) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		7 ALA B 175
GLY B 177
THR B 178
THR B 249
LEU B 250
ASN B 266
PHE B 292
 None
 0.65A 5ybbA-2y7cB:
30.6		 5ybbA-2y7cB:
31.75
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.
2yev CYTOCHROME C OXIDASE
POLYPEPTIDE I+III

(Thermus
thermophilus) 		PF00115
(COX1)
PF00510
(COX3) 		5 GLY A 361
GLY A 364
LEU A 264
ASN A 388
PHE A 353
 HAS  A1016 (-3.3A)
HAS  A1016 (-3.7A)
None
None
None
 1.10A 5ybbA-2yevA:
undetectable		 5ybbA-2yevA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yk0 ERYTHROCYTE MEMBRANE
PROTEIN 1

(Plasmodium
falciparum) 		PF03011
(PFEMP)
PF05424
(Duffy_binding)
PF15447
(NTS) 		5 ALA A  22
GLY A 439
LEU A 313
ASN A 437
PHE A 432
 None
 1.12A 5ybbA-2yk0A:
undetectable		 5ybbA-2yk0A:
19.97
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.
3aat ASPARTATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 GLY A 107
THR A 109
GLY A 110
THR A  83
PHE A  79
 PLP  A 410 (-4.7A)
PLP  A 410 (-3.4A)
None
None
None
 1.18A 5ybbA-3aatA:
undetectable		 5ybbA-3aatA:
22.53
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.
3am3 ENOYL-ACP REDUCTASE

(Plasmodium
falciparum) 		PF13561
(adh_short_C2) 		5 ALA A 116
GLY A 114
THR A 389
GLY A 392
PHE A 128
 None
 1.18A 5ybbA-3am3A:
3.8		 5ybbA-3am3A:
18.54
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.
3bpt 3-HYDROXYISOBUTYRYL-
COA HYDROLASE

(Homo sapiens) 		PF16113
(ECH_2) 		5 GLY A 181
GLY A 179
PRO A 185
LEU A 372
PHE A 376
 None
 1.11A 5ybbA-3bptA:
undetectable		 5ybbA-3bptA:
21.92
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.
3cpi RAB GDP-DISSOCIATION
INHIBITOR

(Saccharomyces
cerevisiae) 		PF00996
(GDI) 		5 ALA G 292
GLY G  16
THR G  17
GLY G  18
PHE G 297
 None
 1.09A 5ybbA-3cpiG:
undetectable		 5ybbA-3cpiG:
21.80
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.
3dhv D-ALANINE-POLY(PHOSP
HORIBITOL) LIGASE

(Bacillus cereus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLY A 270
THR A 242
PRO A 243
THR A 304
LEU A 392
 DAL  A 701 ( 3.1A)
None
None
None
None
 1.17A 5ybbA-3dhvA:
undetectable		 5ybbA-3dhvA:
23.77
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.
3e49 UNCHARACTERIZED
PROTEIN DUF849 WITH
A TIM BARREL FOLD

(Paraburkholderia
xenovorans) 		PF05853
(BKACE) 		5 ALA A  52
GLY A  58
PRO A  27
LEU A  84
PHE A  67
 None
 1.08A 5ybbA-3e49A:
undetectable		 5ybbA-3e49A:
20.97
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		5 THR A 212
GLY A 187
THR A 895
ASN A 708
PHE A 833
 None
 0.94A 5ybbA-3egwA:
undetectable		 5ybbA-3egwA:
17.04
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.
3ek2 ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE
(NADH)

(Burkholderia
pseudomallei) 		PF13561
(adh_short_C2) 		5 ALA A 230
GLY A 226
GLY A  23
LEU A 236
PHE A   3
 None
 1.14A 5ybbA-3ek2A:
4.4		 5ybbA-3ek2A:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i7u AP4A HYDROLASE

(Aquifex
aeolicus) 		PF00293
(NUDIX) 		5 GLY A  53
LYS A  21
LYS A  99
LEU A 112
PHE A 104
 None
 1.17A 5ybbA-3i7uA:
undetectable		 5ybbA-3i7uA:
13.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i99 UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(Vibrio cholerae) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		5 ALA A 189
GLY A 129
CYH A 127
GLY A 100
PRO A 132
 None
FAD  A 358 ( 4.5A)
FAD  A 358 (-4.1A)
None
None
 1.12A 5ybbA-3i99A:
undetectable		 5ybbA-3i99A:
22.20
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.
3ioy SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Novosphingobium
aromaticivorans) 		PF00106
(adh_short) 		5 GLY A 240
GLY A  21
LEU A   1
ASN A  28
PHE A   4
 None
 1.07A 5ybbA-3ioyA:
5.3		 5ybbA-3ioyA:
23.59
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.
3k40 AROMATIC-L-AMINO-ACI
D DECARBOXYLASE

(Drosophila
melanogaster) 		PF00282
(Pyridoxal_deC) 		5 ALA A 293
GLY A 257
GLY A 260
LYS A 288
LEU A 128
 None
 1.13A 5ybbA-3k40A:
undetectable		 5ybbA-3k40A:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lkd TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Streptococcus
thermophilus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 GLY A 231
THR A 285
LEU A 286
ASN A 304
PHE A 339
 None
 0.96A 5ybbA-3lkdA:
26.6		 5ybbA-3lkdA:
27.26
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.
3lye OXALOACETATE ACETYL
HYDROLASE

(Cryphonectria
parasitica) 		PF13714
(PEP_mutase) 		5 GLY A 159
THR A 158
GLY A 161
THR A 216
LEU A 220
 None
 1.04A 5ybbA-3lyeA:
undetectable		 5ybbA-3lyeA:
21.61
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.
3m0o MONOMERIC SARCOSINE
OXIDASE

(Bacillus sp.
B-0618) 		PF01266
(DAO) 		6 GLY A  88
THR A  87
GLY A 145
PRO A 242
LEU A 117
ASN A 143
 None
 1.32A 5ybbA-3m0oA:
undetectable		 5ybbA-3m0oA:
20.50
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.
3oz7 PHOSPHOGLYCERATE
KINASE

(Plasmodium
falciparum) 		PF00162
(PGK) 		5 GLY A  69
GLY A 131
PRO A  67
LEU A 153
PHE A 149
 None
 1.16A 5ybbA-3oz7A:
undetectable		 5ybbA-3oz7A:
21.66
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.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		5 ALA A 329
GLY A 331
GLY A 333
ASN A 406
PHE A 447
 SAH  A 900 (-3.2A)
SAH  A 900 (-3.2A)
SAH  A 900 ( 4.5A)
SAH  A 900 (-4.5A)
None
 0.71A 5ybbA-3s1sA:
18.9		 5ybbA-3s1sA:
22.58
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.
3tx8 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Corynebacterium
glutamicum) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLY A 337
THR A 167
GLY A 168
THR A  19
LEU A  18
 None
 1.15A 5ybbA-3tx8A:
undetectable		 5ybbA-3tx8A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tx8 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Corynebacterium
glutamicum) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLY A 337
THR A 167
GLY A 169
THR A  19
LEU A  18
 None
 1.02A 5ybbA-3tx8A:
undetectable		 5ybbA-3tx8A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tx8 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Corynebacterium
glutamicum) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLY A 337
THR A 167
GLY A 169
THR A  19
LEU A  22
 None
 0.95A 5ybbA-3tx8A:
undetectable		 5ybbA-3tx8A:
22.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ufb TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Vibrio
vulnificus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		6 ALA A 225
GLY A 227
THR A 228
GLY A 229
LEU A 290
PHE A 337
 None
 0.86A 5ybbA-3ufbA:
36.9		 5ybbA-3ufbA:
39.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ufb TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Vibrio
vulnificus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		6 ALA A 225
GLY A 227
THR A 228
GLY A 230
PRO A 266
ASN A 309
 None
 1.01A 5ybbA-3ufbA:
36.9		 5ybbA-3ufbA:
39.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ufb TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Vibrio
vulnificus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		6 ALA A 225
GLY A 227
THR A 228
LEU A 290
ASN A 309
PHE A 337
 None
 0.70A 5ybbA-3ufbA:
36.9		 5ybbA-3ufbA:
39.67
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.
3wxo CATALASE-PEROXIDASE

(Synechococcus
elongatus) 		PF00141
(peroxidase) 		5 ALA A 153
GLY A 110
THR A 111
GLY A 108
PHE A 170
 None
None
None
NA  A 805 ( 4.8A)
None
 1.17A 5ybbA-3wxoA:
undetectable		 5ybbA-3wxoA:
21.42
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.
4ah6 ASPARTATE--TRNA
LIGASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 ALA A 448
THR A 327
GLY A 329
THR A 441
ASN A 446
 None
 1.18A 5ybbA-4ah6A:
undetectable		 5ybbA-4ah6A:
22.35
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.
4are COLLAGENASE G

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		5 ALA A 700
THR A 725
THR A 746
LEU A 747
PHE A 782
 None
 1.08A 5ybbA-4areA:
2.5		 5ybbA-4areA:
20.79
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.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		5 GLY A  65
GLY A  67
LYS A  86
LEU A 113
ASN A 141
 None
 1.06A 5ybbA-4gc5A:
10.4		 5ybbA-4gc5A:
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		5 ALA A 194
GLY A 191
THR A 188
LEU A 389
PHE A 396
 None
 1.12A 5ybbA-4ineA:
10.3		 5ybbA-4ineA:
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.
4j1s POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis) 		PF08659
(KR) 		5 GLY A 323
THR A 111
GLY A 107
ASN A 334
PHE A 410
 None
 1.05A 5ybbA-4j1sA:
undetectable		 5ybbA-4j1sA:
23.20
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.
4jx8 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH] FABI

(Escherichia
coli) 		PF13561
(adh_short_C2) 		5 ALA A 230
GLY A 226
GLY A  23
LEU A 236
PHE A   3
 None
 1.17A 5ybbA-4jx8A:
4.5		 5ybbA-4jx8A:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m00 SERINE-RICH ADHESIN
FOR PLATELETS

(Staphylococcus
aureus) 		PF05345
(He_PIG) 		5 ALA A 495
GLY A 564
THR A 255
LEU A 341
ASN A 562
 None
 1.18A 5ybbA-4m00A:
undetectable		 5ybbA-4m00A:
18.88
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.
4m87 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Neisseria
meningitidis) 		PF13561
(adh_short_C2) 		5 ALA A 231
GLY A 227
GLY A  23
LEU A 237
PHE A   3
 None
 1.17A 5ybbA-4m87A:
4.9		 5ybbA-4m87A:
20.31
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.
4mz0 CURL

(Moorea
producens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A 587
THR A 586
GLY A 682
THR A 648
PHE A 784
 None
 1.15A 5ybbA-4mz0A:
undetectable		 5ybbA-4mz0A:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nqz ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH] FABI

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 ALA A 233
GLY A 229
GLY A  23
LEU A 239
PHE A   3
 None
 1.16A 5ybbA-4nqzA:
5.0		 5ybbA-4nqzA:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oy2 TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF12157
(DUF3591) 		5 GLY A 824
THR A 819
CYH A 821
GLY A 822
PRO A 818
 None
 1.17A 5ybbA-4oy2A:
undetectable		 5ybbA-4oy2A:
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.
4q3m MGS-M4

(unidentified) 		PF00248
(Aldo_ket_red) 		5 GLY A  96
GLY A  55
LEU A 124
ASN A  94
PHE A  88
 None
 0.89A 5ybbA-4q3mA:
undetectable		 5ybbA-4q3mA:
18.74
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.
4r6k SOLUTE-BINDING
PROTEIN

(Bacillus
subtilis) 		PF13416
(SBP_bac_8) 		5 ALA A 399
GLY A 199
THR A 198
LEU A 374
PHE A 395
 None
 1.19A 5ybbA-4r6kA:
undetectable		 5ybbA-4r6kA:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rep GAMMA-CAROTENE
DESATURASE

(Nonlabens
dokdonensis) 		PF01593
(Amino_oxidase) 		5 ALA A 190
THR A 205
GLY A 202
ASN A 171
PHE A 333
 None
 1.09A 5ybbA-4repA:
undetectable		 5ybbA-4repA:
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.
4y23 GAMMA GLUTAMYL
TRANSPEPTIDASE,GAMMA
-GLUTAMYLTRANSPEPTID
ASE

(Bacillus
licheniformis) 		PF01019
(G_glu_transpept) 		5 ALA A 282
THR A 463
GLY A 291
THR A 103
PHE A 468
 None
 1.06A 5ybbA-4y23A:
undetectable		 5ybbA-4y23A:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y7p ALKALINE D-PEPTIDASE

(Bacillus cereus) 		PF00144
(Beta-lactamase) 		5 GLY A 325
THR A 326
GLY A 329
THR A  78
ASN A 260
 None
 0.89A 5ybbA-4y7pA:
undetectable		 5ybbA-4y7pA:
22.92
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.
4yle PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Burkholderia
multivorans) 		PF13407
(Peripla_BP_4) 		5 ALA A 235
GLY A 237
GLY A 210
LEU A 266
ASN A 233
 None
 1.07A 5ybbA-4yleA:
undetectable		 5ybbA-4yleA:
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.
4ywe PUTATIVE ALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 ALA A 163
THR A 469
GLY A 467
PRO A 139
LEU A 199
 None
 1.10A 5ybbA-4yweA:
undetectable		 5ybbA-4yweA:
22.76
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.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		5 GLY A 165
GLY A 167
LYS A 187
PRO A 191
LEU A 224
 None
 1.07A 5ybbA-5dtrA:
8.2		 5ybbA-5dtrA:
21.27
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.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		5 GLY A 165
LYS A 187
PRO A 191
LEU A 224
ASN A 241
 None
None
None
None
5F7  A 401 (-3.6A)
 0.97A 5ybbA-5dtrA:
8.2		 5ybbA-5dtrA:
21.27
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.
5erb POLYKETIDE SYNTHASE

(Bacillus
amyloliquefaciens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A 357
GLY A 247
THR A 369
LEU A 373
PHE A  27
 None
 1.09A 5ybbA-5erbA:
undetectable		 5ybbA-5erbA:
20.72
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.
5ffj ENDONUCLEASE AND
METHYLASE LLAGI

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII) 		5 GLY A 906
THR A 907
GLY A 908
THR A 982
ASN A1018
 None
 1.01A 5ybbA-5ffjA:
20.8		 5ybbA-5ffjA:
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.
5hh9 PVDN

(Pseudomonas
aeruginosa) 		PF00266
(Aminotran_5) 		5 ALA A 260
GLY A 273
THR A 272
GLY A 120
PHE A 258
 None
 1.18A 5ybbA-5hh9A:
3.0		 5ybbA-5hh9A:
23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hr4 MMEI

(Methylophilus
methylotrophus) 		no annotation 5 ALA C 363
GLY C 365
PRO C 418
LEU C 462
ASN C 481
 SFG  C1002 (-3.9A)
SFG  C1002 (-3.4A)
None
SFG  C1002 ( 4.4A)
SFG  C1002 (-3.8A)
 0.57A 5ybbA-5hr4C:
16.9		 5ybbA-5hr4C:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5il7 RAB FAMILY PROTEIN

(Chlorobaculum
tepidum) 		PF12799
(LRR_4)
PF13516
(LRR_6) 		5 GLY A 375
THR A 374
GLY A 406
LEU A 386
PHE A 410
 None
 1.17A 5ybbA-5il7A:
undetectable		 5ybbA-5il7A:
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.
5jc8 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		5 GLY A  25
THR A 199
GLY A 234
PRO A 200
LEU A  55
 MG  A 307 ( 3.7A)
MG  A 307 ( 4.5A)
None
MG  A 307 (-3.8A)
EDO  A 304 (-4.9A)
 1.01A 5ybbA-5jc8A:
5.3		 5ybbA-5jc8A:
19.33
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.
5l33 DENOVO NTF2

(synthetic
construct) 		PF12680
(SnoaL_2) 		5 ALA A   7
GLY A  94
PRO A   1
LEU A  60
PHE A  72
 None
 1.13A 5ybbA-5l33A:
undetectable		 5ybbA-5l33A:
14.16
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.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT

(Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B) 		5 GLY A 583
THR A 584
GLY A 425
PRO A 516
THR A 481
 None
 1.14A 5ybbA-5l9wA:
undetectable		 5ybbA-5l9wA:
21.73
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.
5lp4 PENICILLIN-BINDING
PROTEIN 2 (PBP2)

(Helicobacter
pylori) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 ALA A 517
GLY A 515
THR A 514
GLY A 567
LEU A 438
 None
 1.16A 5ybbA-5lp4A:
undetectable		 5ybbA-5lp4A:
22.76
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.
5m28 MALE1

(Lactobacillus
casei) 		PF13416
(SBP_bac_8) 		5 ALA A 356
THR A 161
LEU A 177
ASN A 354
PHE A 352
 None
 0.95A 5ybbA-5m28A:
undetectable		 5ybbA-5m28A:
18.50
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.
5nd5 TRANSKETOLASE

(Chlamydomonas
reinhardtii) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A  69
GLY A  76
PRO A  81
LEU A 136
ASN A  71
 None
 1.18A 5ybbA-5nd5A:
undetectable		 5ybbA-5nd5A:
18.86
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.
5o1m RUBBER OXYGENASE

(Streptomyces
sp. K30) 		PF09995
(DUF2236) 		5 GLY A 131
GLY A 127
THR A 330
LEU A 331
PHE A 237
 None
 1.08A 5ybbA-5o1mA:
undetectable		 5ybbA-5o1mA:
22.75
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.
5udb CELL DIVISION CYCLE
PROTEIN CDT1

(Saccharomyces
cerevisiae) 		PF16679
(CDT1_C) 		5 GLY 8 233
THR 8 234
GLY 8 194
LEU 8 128
PHE 8 125
 None
 1.11A 5ybbA-5udb8:
undetectable		 5ybbA-5udb8:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5udb CELL DIVISION CYCLE
PROTEIN CDT1

(Saccharomyces
cerevisiae) 		PF16679
(CDT1_C) 		5 GLY 8 233
THR 8 234
PRO 8 192
LEU 8  45
PHE 8 125
 None
 1.13A 5ybbA-5udb8:
undetectable		 5ybbA-5udb8:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5voh NADH OXIDASE

(Lactobacillus
brevis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 388
GLY A 386
GLY A 338
LEU A 372
PHE A 191
 None
None
None
EDO  A 503 (-3.2A)
None
 1.12A 5ybbA-5vohA:
undetectable		 5ybbA-5vohA:
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.
5xks THERMOSTABLE
MONOACYLGLYCEROL
LIPASE

(Geobacillus sp.
12AMOR1) 		no annotation 5 ALA A 122
GLY A 100
THR A 103
LEU A 128
ASN A 120
 None
 1.05A 5ybbA-5xksA:
undetectable		 5ybbA-5xksA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ybb TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Caldanaerobacter
subterraneus) 		no annotation 12 ALA A 197
GLY A 199
THR A 200
CYH A 201
GLY A 202
LYS A 234
LYS A 235
PRO A 238
THR A 261
LEU A 262
ASN A 279
PHE A 305
 SAM  A 601 (-3.0A)
SAM  A 601 (-3.3A)
SAM  A 601 (-4.4A)
SAM  A 601 (-3.2A)
SAM  A 601 (-3.0A)
SAM  A 601 (-4.7A)
None
SAM  A 601 ( 4.8A)
SAM  A 601 (-3.8A)
SAM  A 601 ( 4.2A)
SAM  A 601 (-3.7A)
SAM  A 601 (-4.7A)
 0.10A 5ybbA-5ybbA:
61.7		 5ybbA-5ybbA:
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.
5z5c CYSTEINE SYNTHASE

(Fusobacterium
nucleatum) 		no annotation 5 THR A 188
GLY A 186
THR A  53
LEU A  54
PHE A  81
 PLP  A 401 (-3.6A)
PLP  A 401 (-3.5A)
None
MLY  A  55 ( 4.2A)
None
 1.06A 5ybbA-5z5cA:
undetectable		 5ybbA-5z5cA:
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.
5z9y THIAZOLE SYNTHASE

(Mycobacterium
tuberculosis) 		no annotation 5 ALA A 207
GLY A 159
THR A 160
GLY A 186
LEU A  30
 DXP  A 301 (-3.6A)
DXP  A 301 (-3.6A)
None
DXP  A 301 (-3.7A)
None
 1.17A 5ybbA-5z9yA:
undetectable		 5ybbA-5z9yA:
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.
6c66 CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Thermobifida
fusca) 		no annotation 5 ALA A 422
GLY A 499
GLY A 501
LEU A 341
PHE A 481
 None
 1.04A 5ybbA-6c66A:
undetectable		 5ybbA-6c66A:
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.
1dj3 ADENYLOSUCCINATE
SYNTHETASE

(Triticum
aestivum) 		PF00709
(Adenylsucc_synt) 		4 PHE A 314
THR A 316
ASP A  30
GLU A 313
 None
None
GDP  A 500 (-4.3A)
None
 1.37A 5ybbA-1dj3A:
0.0		 5ybbA-1dj3A:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kjn MTH0777

(Methanothermobacter
thermautotrophicus) 		PF09001
(DUF1890) 		4 PHE A  37
THR A  40
ASP A  78
GLU A  80
 None
 1.46A 5ybbA-1kjnA:
undetectable		 5ybbA-1kjnA:
15.52
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.
1mqs SLY1 PROTEIN

(Saccharomyces
cerevisiae) 		PF00995
(Sec1) 		4 PHE A  46
THR A  42
ASP A  36
ASN A  29
 None
 1.32A 5ybbA-1mqsA:
undetectable		 5ybbA-1mqsA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1okc ADP, ATP CARRIER
PROTEIN HEART
ISOFORM T1

(Bos taurus) 		PF00153
(Mito_carr) 		4 PHE A 129
THR A  83
ASP A 134
ASN A 177
 None
CXT  A 401 ( 3.9A)
CXT  A 401 ( 4.7A)
CDL  A 802 (-3.0A)
 1.00A 5ybbA-1okcA:
undetectable		 5ybbA-1okcA:
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.
1orr CDP-TYVELOSE-2-EPIME
RASE

(Salmonella
enterica) 		PF16363
(GDP_Man_Dehyd) 		4 PHE A 280
THR A 142
GLU A 284
ASN A 288
 None
 1.29A 5ybbA-1orrA:
4.8		 5ybbA-1orrA:
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.
1wcg THIOGLUCOSIDASE

(Brevicoryne
brassicae) 		PF00232
(Glyco_hydro_1) 		4 PHE A 455
THR A 453
ASP A 385
ASN A 421
 None
 1.41A 5ybbA-1wcgA:
undetectable		 5ybbA-1wcgA:
21.71
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.
2bty ACETYLGLUTAMATE
KINASE

(Thermotoga
maritima) 		PF00696
(AA_kinase) 		4 PHE A  28
THR A 201
ASP A 182
ASN A 178
 None
None
NLG  A1284 (-3.4A)
None
 1.49A 5ybbA-2btyA:
1.0		 5ybbA-2btyA:
22.09
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.
2cir HEXOSE-6-PHOSPHATE
MUTAROTASE

(Saccharomyces
cerevisiae) 		PF01263
(Aldose_epim) 		4 PHE A 105
THR A  89
ASP A   7
GLU A   5
 None
 1.42A 5ybbA-2cirA:
undetectable		 5ybbA-2cirA:
18.93
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.
2is3 RIBONUCLEASE T

(Escherichia
coli) 		PF00929
(RNase_T) 		4 THR A 190
ASP A 125
GLU A  25
ASN A  78
 None
 1.41A 5ybbA-2is3A:
undetectable		 5ybbA-2is3A:
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT

(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF13247
(Fer4_11) 		4 PHE A  94
ASP B 347
GLU A 107
ASN B 224
 SF4  A1984 (-4.6A)
GOL  B1353 (-4.2A)
None
SF4  B1359 (-4.1A)
 1.44A 5ybbA-2ivfA:
1.3		 5ybbA-2ivfA:
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.
2mqw 26S PROTEASOME
REGULATORY SUBUNIT
RPN9

(Saccharomyces
cerevisiae) 		no annotation 4 PHE A  26
THR A  13
ASP A   8
GLU A  30
 None
 1.23A 5ybbA-2mqwA:
undetectable		 5ybbA-2mqwA:
14.97
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.
2nwb CONSERVED DOMAIN
PROTEIN

(Shewanella
oneidensis) 		PF08933
(DUF1864) 		4 PHE A 152
THR A 157
GLU A 149
ASN A  23
 HEM  A 401 (-4.8A)
None
None
None
 1.30A 5ybbA-2nwbA:
undetectable		 5ybbA-2nwbA:
22.58
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.
2nwh CARBOHYDRATE KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		4 PHE A 116
THR A  84
ASP A  80
ASN A  42
 None
 1.43A 5ybbA-2nwhA:
undetectable		 5ybbA-2nwhA:
21.36
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.
2q2e TYPE 2 DNA
TOPOISOMERASE 6
SUBUNIT B

(Methanosarcina
mazei) 		PF02518
(HATPase_c)
PF09239
(Topo-VIb_trans) 		4 PHE B 304
THR B 273
GLU B 239
ASN B 351
 None
 1.49A 5ybbA-2q2eB:
undetectable		 5ybbA-2q2eB:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vdv TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF02390
(Methyltransf_4) 		5 PHE E 106
THR E 259
ASP E 101
GLU E 126
ASN E 161
 None
SAM  E1287 (-2.8A)
SAM  E1287 ( 4.9A)
SAM  E1287 (-2.6A)
SAM  E1287 (-3.4A)
 1.24A 5ybbA-2vdvE:
6.2		 5ybbA-2vdvE:
18.38
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.
2x27 OUTER MEMBRANE
PROTEIN OPRG

(Pseudomonas
aeruginosa) 		PF03922
(OmpW) 		4 PHE X  10
THR X  51
ASP X 156
ASN X 160
 None
 1.42A 5ybbA-2x27X:
undetectable		 5ybbA-2x27X:
16.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2y7c TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN

(Escherichia
coli) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		4 THR B 151
ASP B 173
GLU B 216
ASN B 248
 None
 0.72A 5ybbA-2y7cB:
30.5		 5ybbA-2y7cB:
31.75
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.
3aeh HEMOGLOBIN-BINDING
PROTEASE HBP
AUTOTRANSPORTER

(Escherichia
coli) 		PF03797
(Autotransporter) 		4 THR A1290
ASP A1108
GLU A1245
ASN A1101
 None
 1.42A 5ybbA-3aehA:
undetectable		 5ybbA-3aehA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c75 METHYLAMINE
DEHYDROGENASE HEAVY
CHAIN
METHYLAMINE
DEHYDROGENASE LIGHT
CHAIN

(Paracoccus
versutus;
Paracoccus
versutus) 		PF06433
(Me-amine-dh_H)
PF02975
(Me-amine-dh_L) 		4 PHE L 102
THR L  91
ASP L 105
ASN H 235
 None
 1.01A 5ybbA-3c75L:
undetectable		 5ybbA-3c75L:
15.49
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.
3ckk TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Homo sapiens) 		PF02390
(Methyltransf_4) 		4 THR A 208
ASP A  52
GLU A  77
ASN A 110
 SAM  A 301 (-2.8A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-2.7A)
SAM  A 301 (-3.5A)
 1.06A 5ybbA-3ckkA:
4.9		 5ybbA-3ckkA:
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.
3evr MYOSIN LIGHT CHAIN
KINASE, GREEN
FLUORESCENT PROTEIN,
CALMODULIN-1 CHIMERA

(Aequorea
victoria;
Rattus
norvegicus) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		4 PHE A 371
THR A 329
ASP A 361
ASN A  62
 None
None
CA  A   1 (-3.0A)
None
 1.08A 5ybbA-3evrA:
undetectable		 5ybbA-3evrA:
22.72
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.
3fho ATP-DEPENDENT RNA
HELICASE DBP5

(Schizosaccharomyces
pombe) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 PHE A 296
THR A 318
GLU A 313
ASN A 310
 None
 1.47A 5ybbA-3fhoA:
undetectable		 5ybbA-3fhoA:
16.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gqm CELL INHIBITING
FACTOR (CIFBP)

(Burkholderia
pseudomallei) 		PF16374
(CIF) 		4 PHE A  98
THR A 111
ASP A  45
GLU A 103
 None
 1.36A 5ybbA-3gqmA:
undetectable		 5ybbA-3gqmA:
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.
3i24 HIT FAMILY HYDROLASE

(Aliivibrio
fischeri) 		PF01230
(HIT) 		4 PHE A  58
THR A  51
GLU A  61
ASN A  18
 None
 1.30A 5ybbA-3i24A:
undetectable		 5ybbA-3i24A:
13.02
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.
3noy 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Aquifex
aeolicus) 		PF04551
(GcpE) 		4 PHE A 163
THR A 169
ASP A 195
ASN A 187
 None
 1.29A 5ybbA-3noyA:
undetectable		 5ybbA-3noyA:
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.
3oox PUTATIVE 2OG-FE(II)
OXYGENASE FAMILY
PROTEIN

(Caulobacter
vibrioides) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		4 PHE A 267
THR A 195
ASP A 138
ASN A 117
 None
 1.10A 5ybbA-3ooxA:
undetectable		 5ybbA-3ooxA:
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.
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B

(Homo sapiens) 		PF01593
(Amino_oxidase) 		4 PHE A 185
THR A 147
ASP A 153
ASN A 117
 None
 1.50A 5ybbA-3zyxA:
undetectable		 5ybbA-3zyxA:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 THR A 404
ASP A 475
GLU A 460
ASN A 138
 None
None
UML  A 598 (-3.1A)
None
 1.39A 5ybbA-4c13A:
2.2		 5ybbA-4c13A:
22.41
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.
4c23 L-FUCULOSE KINASE
FUCK

(Streptococcus
pneumoniae) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 THR A 177
ASP A 157
GLU A 170
ASN A 432
 None
 1.41A 5ybbA-4c23A:
undetectable		 5ybbA-4c23A:
23.60
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.
4db1 MYOSIN-7

(Homo sapiens) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		4 PHE A 247
THR A 660
GLU A 264
ASN A 437
 None
 1.28A 5ybbA-4db1A:
0.7		 5ybbA-4db1A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fms PROBABLE PORIN

(Pseudomonas
aeruginosa) 		no annotation 4 PHE B 324
THR B 264
GLU B 351
ASN B 365
 C8E  B 407 (-3.9A)
None
None
None
 1.38A 5ybbA-4fmsB:
undetectable		 5ybbA-4fmsB:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g2n D-ISOMER SPECIFIC
2-HYDROXYACID
DEHYDROGENASE,
NAD-BINDING

(Polaromonas sp.
JS666) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 PHE A  55
THR A  57
ASP A  36
GLU A  21
 None
 1.34A 5ybbA-4g2nA:
4.9		 5ybbA-4g2nA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gn1 RAS-ASSOCIATED AND
PLECKSTRIN HOMOLOGY
DOMAINS-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00169
(PH)
PF00788
(RA) 		4 PHE A 327
THR A 292
GLU A 328
ASN A 498
 MLI  A 601 (-4.8A)
None
None
None
 1.24A 5ybbA-4gn1A:
undetectable		 5ybbA-4gn1A:
19.31
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.
4ieg RNA-DEPENDENT RNA
POLYMERASE P2

(Pseudomonas
phage phi12) 		no annotation 4 PHE A 347
ASP A 469
GLU A 503
ASN A 253
 None
None
MG  A1001 (-2.3A)
None
 1.48A 5ybbA-4iegA:
0.4		 5ybbA-4iegA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kuj PROTEIN KINASE,
PUTATIVE

(Entamoeba
histolytica) 		PF02816
(Alpha_kinase) 		4 PHE A 250
THR A 252
ASP A 176
ASN A 240
 None
 1.13A 5ybbA-4kujA:
undetectable		 5ybbA-4kujA:
19.37
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.
4kvo N-TERMINAL
ACETYLTRANSFERASE A
COMPLEX SUBUNIT NAT1

(Schizosaccharomyces
pombe) 		PF12569
(NARP1) 		4 THR A 545
ASP A 220
GLU A 226
ASN A 252
 None
 1.02A 5ybbA-4kvoA:
undetectable		 5ybbA-4kvoA:
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.
4lyl URACIL-DNA
GLYCOSYLASE

(Gadus morhua) 		PF03167
(UDG) 		4 PHE A 242
THR A 255
ASP A 227
ASN A 204
 None
 1.44A 5ybbA-4lylA:
undetectable		 5ybbA-4lylA:
18.33
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.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 PHE A1481
THR A1484
GLU A1496
ASN A1843
 None
 1.32A 5ybbA-4o9xA:
undetectable		 5ybbA-4o9xA:
12.83
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.
4oy4 CHIMERA PROTEIN OF
CALMODULIN, GPF-LIKE
PROTEIN EOSFP, AND
MYOSIN LIGHT CHAIN
KINASE

(Gallus gallus;
Rattus
norvegicus;
Lobophyllia
hemprichii) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		4 THR A 384
ASP A  77
GLU A  46
ASN A  41
 None
 1.46A 5ybbA-4oy4A:
undetectable		 5ybbA-4oy4A:
22.31
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.
4q0s L-RIBOSE ISOMERASE

(Acinetobacter
sp. DL-28) 		no annotation 4 PHE A 234
THR A 241
ASP A  45
GLU A  61
 None
 1.12A 5ybbA-4q0sA:
undetectable		 5ybbA-4q0sA:
19.37
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT II,
CHLOROPLASTIC

(Pisum sativum;
Pisum sativum) 		PF00223
(PsaA_PsaB)
PF02531
(PsaD) 		4 PHE D 113
ASP A 423
GLU D 114
ASN A 574
 None
 1.21A 5ybbA-4rkuD:
undetectable		 5ybbA-4rkuD:
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.
4umz CYTOCHROME P450
HYDROXYLASE PIKC

(Streptomyces
venezuelae) 		PF00067
(p450) 		4 PHE A 178
THR A 189
ASP A 183
ASN A  50
 None
 1.40A 5ybbA-4umzA:
0.7		 5ybbA-4umzA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wjs RSA4

(Chaetomium
thermophilum) 		PF00400
(WD40) 		4 PHE A 228
THR A 206
ASP A 210
GLU A 227
 None
 1.42A 5ybbA-4wjsA:
undetectable		 5ybbA-4wjsA:
22.62
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 4 PHE A 349
THR A 302
ASP A 344
ASN A 176
 None
None
GH3  A 503 (-2.9A)
GH3  A 504 ( 4.8A)
 1.45A 5ybbA-4xj6A:
undetectable		 5ybbA-4xj6A:
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.
5b2h HA-33

(Clostridium
botulinum) 		PF14200
(RicinB_lectin_2) 		4 PHE A 231
THR A 243
GLU A  13
ASN A   7
 None
 1.30A 5ybbA-5b2hA:
undetectable		 5ybbA-5b2hA:
16.99
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.
5eyy CENTROLOBIUM
TOMENTOSUM LECTIN

(Centrolobium
tomentosum) 		PF00139
(Lectin_legB) 		4 PHE A  76
THR A 189
GLU A 230
ASN A  10
 None
 1.48A 5ybbA-5eyyA:
undetectable		 5ybbA-5eyyA:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fad RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE

(Sulfolobus
islandicus) 		PF13847
(Methyltransf_31) 		4 THR A  12
ASP A  34
GLU A  59
ASN A  87
 SAH  A 201 (-3.4A)
SAH  A 201 (-2.9A)
SAH  A 201 (-2.9A)
SAH  A 201 (-3.7A)
 1.01A 5ybbA-5fadA:
10.5		 5ybbA-5fadA:
15.58
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.
5gkb FATTY ACID BINDIN
PROTEIN, ISOFORM B

(Drosophila
melanogaster) 		PF00061
(Lipocalin) 		4 PHE A  64
THR A  92
GLU A  72
ASN A  79
 None
 1.33A 5ybbA-5gkbA:
undetectable		 5ybbA-5gkbA:
11.76
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.
5hr4 MMEI

(Methylophilus
methylotrophus) 		no annotation 4 THR C 316
ASP C 361
GLU C 413
ASN C 460
 SFG  C1002 (-4.0A)
SFG  C1002 ( 4.9A)
SFG  C1002 (-2.8A)
SFG  C1002 (-3.2A)
 0.53A 5ybbA-5hr4C:
16.9		 5ybbA-5hr4C:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hzg STRIGOLACTONE
ESTERASE D14
F-BOX/LRR-REPEAT
MAX2 HOMOLOG

(Arabidopsis
thaliana;
Oryza sativa) 		PF12697
(Abhydrolase_6)
no annotation 		4 PHE B 709
ASP A  62
GLU B 667
ASN A  11
 None
 1.05A 5ybbA-5hzgB:
undetectable		 5ybbA-5hzgB:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j7u MAJOR CAPSID PROTEIN

(Faustovirus) 		PF04451
(Capsid_NCLDV) 		4 PHE A 320
THR A  79
ASP A 324
GLU A 191
 None
 1.33A 5ybbA-5j7uA:
undetectable		 5ybbA-5j7uA:
22.61
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.
5jnb POLY(A) RNA
POLYMERASE GLD-2

(Caenorhabditis
elegans) 		PF03828
(PAP_assoc) 		4 PHE A 600
THR A 680
ASP A 608
ASN A 603
 None
EDO  A1005 (-3.8A)
MG  A1002 (-3.1A)
None
 1.44A 5ybbA-5jnbA:
undetectable		 5ybbA-5jnbA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jpn COMPLEMENT C4-A
COMPLEMENT C4-A

(Homo sapiens;
Homo sapiens) 		PF00207
(A2M)
PF01821
(ANATO)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl)
PF01759
(NTR)
PF07677
(A2M_recep) 		4 PHE B1144
THR B1196
GLU B1263
ASN C1561
 None
 1.31A 5ybbA-5jpnB:
undetectable		 5ybbA-5jpnB:
20.67
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.
5jz7 BETA-NERVE GROWTH
FACTOR
MEDI578 SCFV, HEAVY
CHAIN

(Homo sapiens;
Homo sapiens) 		PF00243
(NGF)
PF07686
(V-set) 		4 PHE A  54
THR C  31
ASP A  24
GLU A  55
 None
 1.48A 5ybbA-5jz7A:
undetectable		 5ybbA-5jz7A:
12.36
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.
5knn ALANINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF01411
(tRNA-synt_2c) 		4 THR A   6
ASP A 359
GLU A  99
ASN A  71
 None
 1.37A 5ybbA-5knnA:
1.5		 5ybbA-5knnA:
23.17
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.
5mdn DNA POLYMERASE

(Pyrobaculum
calidifontis) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 THR A 340
ASP A 236
GLU A 171
ASN A 174
 None
MG  A 802 ( 3.7A)
MG  A 803 (-4.3A)
None
 1.25A 5ybbA-5mdnA:
2.9		 5ybbA-5mdnA:
22.33
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.
5nyw PROTEASOME SUBUNIT

(Yersinia
bercovieri) 		no annotation 4 PHE A 203
THR A 205
GLU A  41
ASN A  76
 None
 1.44A 5ybbA-5nywA:
undetectable		 5ybbA-5nywA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wkn NUCLEOPROTEIN

(Mammalian
rubulavirus 5) 		no annotation 4 PHE A  77
THR A  75
GLU A 236
ASN A 248
 None
 1.41A 5ybbA-5wknA:
undetectable		 5ybbA-5wknA:
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
RNA POLYMERASE II
THIRD LARGEST
SUBUNIT B44, PART OF
CENTRAL CORE
SPT4/5 COMPLEX
COMPONENT

(Komagataella
phaffii;
Komagataella
phaffii;
Komagataella
phaffii) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L)
PF00467
(KOW) 		4 PHE C  61
ASP B 950
GLU C  60
ASN W 786
 None
 1.40A 5ybbA-5xogC:
undetectable		 5ybbA-5xogC:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ybb TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Caldanaerobacter
subterraneus) 		no annotation 5 PHE A 171
THR A 173
ASP A 195
GLU A 233
ASN A 260
 None
SAM  A 601 (-3.2A)
SAM  A 601 (-3.5A)
SAM  A 601 (-2.7A)
SAM  A 601 (-2.9A)
 0.00A 5ybbA-5ybbA:
61.7		 5ybbA-5ybbA:
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.
6cc2 CELL DIVISION
CONTROL PROTEIN 45
CDC45 PUTATIVE

(Entamoeba
histolytica) 		no annotation 4 PHE A 112
THR A 118
ASP A  90
ASN A 495
 None
 1.26A 5ybbA-6cc2A:
undetectable		 5ybbA-6cc2A:
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.
6fsa -

(-) 		no annotation 4 PHE A 247
THR A 660
GLU A 264
ASN A 437
 None
 1.43A 5ybbA-6fsaA:
undetectable		 5ybbA-6fsaA:
undetectable