SIMILAR PATTERNS OF AMINO ACIDS FOR 4YJI_A_TYLA502_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.
1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT

(Escherichia
coli) 		PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		4 LEU A  87
GLY A 280
GLY A 281
ILE A 319
 None
 0.64A 4yjiA-1c30A:
0.0		 4yjiA-1c30A:
19.87
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.
1f82 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 LEU A 351
GLY A 240
GLY A 185
ILE A 298
 None
 0.74A 4yjiA-1f82A:
undetectable		 4yjiA-1f82A:
21.56
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.
1fi8 ECOTIN

(Escherichia
coli) 		PF03974
(Ecotin) 		4 GLY C  57
GLY C  56
ALA D  99
ILE C  81
 None
 0.71A 4yjiA-1fi8C:
undetectable		 4yjiA-1fi8C:
10.77
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.
1i6q LACTOFERRIN

(Camelus
dromedarius) 		PF00405
(Transferrin) 		4 SER A 122
GLY A  61
GLY A  62
ILE A 328
 CO3  A 692 (-4.1A)
None
None
None
 0.62A 4yjiA-1i6qA:
0.0		 4yjiA-1i6qA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k7j PROTEIN YCIO

(Escherichia
coli) 		PF01300
(Sua5_yciO_yrdC) 		4 GLY A  27
GLY A  28
ALA A  49
ILE A  30
 None
 0.66A 4yjiA-1k7jA:
0.0		 4yjiA-1k7jA:
19.72
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.
1kyw CAFFEIC ACID
3-O-METHYLTRANSFERAS
E

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		4 THR A 211
GLY A 209
GLY A 208
ILE A 267
 None
 0.73A 4yjiA-1kywA:
0.0		 4yjiA-1kywA:
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.
1la1 GROEL

(Escherichia
coli) 		PF00118
(Cpn60_TCP1) 		4 THR A 299
GLY A 297
ALA A 293
ILE A 342
 None
 0.64A 4yjiA-1la1A:
0.0		 4yjiA-1la1A:
19.28
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.
1nu5 CHLOROMUCONATE
CYCLOISOMERASE

(Pseudomonas sp.
P51) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 119
GLY A 126
GLY A 125
ALA A 121
 None
 0.74A 4yjiA-1nu5A:
undetectable		 4yjiA-1nu5A:
25.19
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.
1poi GLUTACONATE COENZYME
A-TRANSFERASE

(Acidaminococcus
fermentans) 		PF01144
(CoA_trans) 		4 THR A  27
GLY A  25
GLY A  24
ILE A 201
 None
 0.46A 4yjiA-1poiA:
0.0		 4yjiA-1poiA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rc2 AQUAPORIN Z

(Escherichia
coli) 		no annotation 4 SER B 118
GLY B 198
GLY B 199
ALA B 201
 None
BGL  B 603 (-3.9A)
BGL  B 602 ( 3.8A)
None
 0.68A 4yjiA-1rc2B:
undetectable		 4yjiA-1rc2B:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vi1 FATTY
ACID/PHOSPHOLIPID
SYNTHESIS PROTEIN
PLSX

(Bacillus
subtilis) 		PF02504
(FA_synthesis) 		4 SER A 298
GLY A 280
ALA A 302
ILE A  96
 None
 0.73A 4yjiA-1vi1A:
2.2		 4yjiA-1vi1A:
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.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 LEU A 856
GLY A 145
GLY A 146
ILE A 139
 None
 0.73A 4yjiA-1xc6A:
undetectable		 4yjiA-1xc6A:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xqa GLYOXALASE/BLEOMYCIN
RESISTANCE PROTEIN

(Bacillus cereus) 		PF00903
(Glyoxalase) 		4 LEU A  20
GLY A 104
GLY A 105
ALA A 102
 None
 0.57A 4yjiA-1xqaA:
undetectable		 4yjiA-1xqaA:
12.93
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.
1ydf HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Streptococcus
pneumoniae) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 LEU A  98
THR A  46
GLY A 181
ALA A  73
ILE A 186
 None
 1.19A 4yjiA-1ydfA:
undetectable		 4yjiA-1ydfA:
18.94
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.
1zb7 NEUROTOXIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 LEU A 351
GLY A 241
GLY A 186
ILE A 299
 None
 0.71A 4yjiA-1zb7A:
undetectable		 4yjiA-1zb7A:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ag1 BENZALDEHYDE LYASE

(Pseudomonas
fluorescens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 LEU A 112
GLY A  76
GLY A  77
ALA A  74
 None
 0.61A 4yjiA-2ag1A:
undetectable		 4yjiA-2ag1A:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bfr HYPOTHETICAL PROTEIN
AF1521

(Archaeoglobus
fulgidus) 		PF01661
(Macro) 		4 GLY A  40
GLY A  41
ALA A  44
ILE A 144
 None
None
None
ADP  A1193 (-3.7A)
 0.54A 4yjiA-2bfrA:
undetectable		 4yjiA-2bfrA:
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.
2bku IMPORTIN BETA-1
SUBUNIT

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		4 LEU B 792
THR B 798
ALA B 802
ILE B 779
 None
 0.62A 4yjiA-2bkuB:
undetectable		 4yjiA-2bkuB:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cfh TRAFFICKING PROTEIN
PARTICLE COMPLEX
SUBUNIT 6B

(Homo sapiens) 		PF04051
(TRAPP) 		4 SER C 137
GLY C 128
GLY C 129
ILE C  68
 None
 0.72A 4yjiA-2cfhC:
undetectable		 4yjiA-2cfhC:
13.94
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.
2fpq BOTULINUM NEUROTOXIN
D LIGHT CHAIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 LEU A 354
GLY A 240
GLY A 185
ILE A 300
 None
 0.73A 4yjiA-2fpqA:
undetectable		 4yjiA-2fpqA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i7n PANTOTHENATE KINASE
1

(Homo sapiens) 		PF03630
(Fumble) 		4 LEU A 460
GLY A 440
GLY A 439
ILE A 526
 None
 0.62A 4yjiA-2i7nA:
undetectable		 4yjiA-2i7nA:
20.86
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.
2i7p PANTOTHENATE KINASE
3

(Homo sapiens) 		PF03630
(Fumble) 		4 LEU A 235
GLY A 215
GLY A 214
ILE A 301
 None
 0.63A 4yjiA-2i7pA:
undetectable		 4yjiA-2i7pA:
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.
2jky HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE

(Saccharomyces
cerevisiae) 		PF00156
(Pribosyltran) 		4 GLY A  38
GLY A  37
ALA A  35
ILE A  65
 SO4  A 301 (-3.2A)
SO4  A 301 ( 4.1A)
None
None
 0.71A 4yjiA-2jkyA:
undetectable		 4yjiA-2jkyA:
20.58
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.
2jnk HYALURONONGLUCOSAMIN
IDASE

(Clostridium
perfringens) 		PF00404
(Dockerin_1)
PF07554
(FIVAR) 		4 SER A  64
GLY A  36
ALA A  68
ILE A  41
 None
 0.74A 4yjiA-2jnkA:
undetectable		 4yjiA-2jnkA:
13.54
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.
2r9g AAA ATPASE, CENTRAL
REGION

(Enterococcus
faecium) 		PF12002
(MgsA_C) 		4 LEU A 279
THR A 298
ALA A 301
ILE A 315
 None
 0.71A 4yjiA-2r9gA:
undetectable		 4yjiA-2r9gA:
16.43
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.
2ri8 MANNOSYL-OLIGOSACCHA
RIDE
ALPHA-1,2-MANNOSIDAS
E

(Penicillium
citrinum) 		PF01532
(Glyco_hydro_47) 		4 SER A1261
THR A1331
GLY A1264
GLY A1265
 None
None
GOL  A1900 ( 3.9A)
GOL  A1900 (-3.5A)
 0.74A 4yjiA-2ri8A:
undetectable		 4yjiA-2ri8A:
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.
2rjt BETA-KETOACYL-ACP
SYNTHASE II

(Streptococcus
pneumoniae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 LEU A 238
GLY A 172
ALA A 174
ILE A 160
 None
 0.71A 4yjiA-2rjtA:
undetectable		 4yjiA-2rjtA:
23.70
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.
2uxo HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR

(Pseudomonas
putida) 		PF00440
(TetR_N)
PF08361
(TetR_C_2) 		4 LEU A  92
SER A  77
GLY A 140
ALA A 144
 None
 0.73A 4yjiA-2uxoA:
undetectable		 4yjiA-2uxoA:
18.79
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		4 THR A1332
GLY A1302
GLY A1303
ILE A1284
 None
 0.65A 4yjiA-2vdcA:
undetectable		 4yjiA-2vdcA:
17.52
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.
2vdw VACCINIA VIRUS
CAPPING ENZYME D1
SUBUNIT

(Vaccinia virus) 		PF03291
(Pox_MCEL) 		4 GLY A 704
GLY A 705
ALA A 702
ILE A 674
 None
 0.74A 4yjiA-2vdwA:
undetectable		 4yjiA-2vdwA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		4 GLY A  94
GLY A  93
ALA A  43
ILE A  91
 NDP  A1159 (-3.4A)
NDP  A1159 ( 3.7A)
NDP  A1159 (-3.3A)
None
 0.71A 4yjiA-2w9sA:
undetectable		 4yjiA-2w9sA:
16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dse BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 LEU A 345
GLY A 234
GLY A 179
ILE A 293
 None
 0.70A 4yjiA-3dseA:
undetectable		 4yjiA-3dseA:
22.16
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.
3ewo NON-STRUCTURAL
PROTEIN 3

(Avian
coronavirus) 		PF01661
(Macro) 		4 GLY A  48
GLY A  49
ALA A  52
ILE A 133
 None
 0.64A 4yjiA-3ewoA:
undetectable		 4yjiA-3ewoA:
17.03
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.
3ewr NON-STRUCTURAL
PROTEIN 3

(Human
coronavirus
229E) 		PF01661
(Macro) 		4 GLY A  43
GLY A  44
ALA A  47
ILE A 126
 APR  A 169 ( 4.5A)
APR  A 169 (-3.2A)
APR  A 169 (-3.4A)
APR  A 169 (-3.5A)
 0.45A 4yjiA-3ewrA:
undetectable		 4yjiA-3ewrA:
14.47
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.
3gkb PUTATIVE ENOYL-COA
HYDRATASE

(Streptomyces
avermitilis) 		PF00378
(ECH_1) 		4 LEU A 268
GLY A 117
GLY A 118
ILE A  30
 None
 0.67A 4yjiA-3gkbA:
undetectable		 4yjiA-3gkbA:
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.
3gl1 HEAT SHOCK PROTEIN
SSB1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		4 LEU A 126
GLY A  11
ALA A 144
ILE A 175
 None
 0.74A 4yjiA-3gl1A:
undetectable		 4yjiA-3gl1A:
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.
3gzd SELENOCYSTEINE LYASE

(Homo sapiens) 		PF00266
(Aminotran_5) 		4 SER C  62
THR C 296
GLY C 286
GLY C 287
 None
 0.70A 4yjiA-3gzdC:
undetectable		 4yjiA-3gzdC:
22.03
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.
3hd5 THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBA

(Bordetella
parapertussis) 		PF00085
(Thioredoxin)
PF01323
(DSBA) 		4 LEU A 164
GLY A 180
GLY A 179
ALA A 177
 None
 0.53A 4yjiA-3hd5A:
undetectable		 4yjiA-3hd5A:
17.47
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.
3k3n PHD FINGER PROTEIN 8

(Homo sapiens) 		PF02373
(JmjC) 		4 GLY A 396
GLY A 397
ALA A 399
ILE A 437
 None
 0.70A 4yjiA-3k3nA:
undetectable		 4yjiA-3k3nA:
20.04
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.
3kv4 PHD FINGER PROTEIN 8

(Homo sapiens) 		PF00628
(PHD)
PF02373
(JmjC) 		4 GLY A 396
GLY A 397
ALA A 399
ILE A 437
 None
 0.65A 4yjiA-3kv4A:
undetectable		 4yjiA-3kv4A:
22.78
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.
3l4i HEAT SHOCK 70
(HSP70) PROTEIN

(Cryptosporidium
parvum) 		PF00012
(HSP70) 		4 LEU A 140
GLY A  23
ALA A 158
ILE A 189
 None
 0.72A 4yjiA-3l4iA:
undetectable		 4yjiA-3l4iA:
23.94
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.
3lor THIOL-DISULFIDE
ISOMERASE AND
THIOREDOXINS

(Corynebacterium
glutamicum) 		PF00578
(AhpC-TSA) 		4 LEU A  23
GLY A  69
ALA A  99
ILE A  89
 None
 0.74A 4yjiA-3lorA:
undetectable		 4yjiA-3lorA:
14.82
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.
3lzx FERREDOXIN--NADP
REDUCTASE 2

(Bacillus
subtilis) 		PF07992
(Pyr_redox_2) 		4 LEU A  86
GLY A  15
GLY A  16
ILE A  70
 None
FAD  A1000 ( 4.8A)
FAD  A1000 (-3.4A)
None
 0.70A 4yjiA-3lzxA:
undetectable		 4yjiA-3lzxA:
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.
3mg0 PROTEASOME COMPONENT
PRE6

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 LEU C 176
SER C 196
THR C 164
GLY C  49
ILE C 212
 None
 1.21A 4yjiA-3mg0C:
undetectable		 4yjiA-3mg0C:
19.88
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.
3mzv DECAPRENYL
DIPHOSPHATE SYNTHASE

(Rhodobacter
capsulatus) 		PF00348
(polyprenyl_synt) 		4 LEU A  78
THR A  61
GLY A 192
ALA A  65
 None
 0.73A 4yjiA-3mzvA:
undetectable		 4yjiA-3mzvA:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o0p SORTASE FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF04203
(Sortase) 		5 LEU A 169
THR A 218
GLY A 136
ALA A 156
ILE A 122
 None
 1.19A 4yjiA-3o0pA:
undetectable		 4yjiA-3o0pA:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		4 SER B 727
GLY B 686
GLY B 685
ILE B 601
 None
 0.61A 4yjiA-3o8oB:
undetectable		 4yjiA-3o8oB:
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.
3oyt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE I

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 GLY A 236
GLY A 237
ALA A 338
ILE A 345
 None
 0.74A 4yjiA-3oytA:
undetectable		 4yjiA-3oytA:
24.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pjx CYCLIC DIMERIC GMP
BINDING PROTEIN

(Pseudomonas
fluorescens) 		PF00563
(EAL)
PF00990
(GGDEF) 		4 LEU A 572
GLY A 564
GLY A 563
ILE A 582
 None
 0.72A 4yjiA-3pjxA:
undetectable		 4yjiA-3pjxA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pr2 TRYPTOPHAN SYNTHASE
BETA CHAIN

(Salmonella
enterica) 		PF00291
(PALP) 		4 LEU B 188
GLY B 233
GLY B 234
ILE B 238
 None
7MN  B   2 (-3.7A)
7MN  B   2 (-3.4A)
None
 0.74A 4yjiA-3pr2B:
undetectable		 4yjiA-3pr2B:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3voc BETA/ALPHA-AMYLASE

(Paenibacillus
polymyxa) 		PF01373
(Glyco_hydro_14) 		4 LEU A  95
GLY A 159
GLY A 158
ILE A 260
 None
 0.61A 4yjiA-3vocA:
undetectable		 4yjiA-3vocA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vte TETRAHYDROCANNABINOL
IC ACID SYNTHASE

(Cannabis sativa) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 LEU A 482
GLY A 183
GLY A 182
ILE A 241
 None
FAD  A 607 (-3.1A)
FAD  A 607 (-3.3A)
FAD  A 607 (-4.0A)
 0.74A 4yjiA-3vteA:
undetectable		 4yjiA-3vteA:
22.51
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.
3wpr TRIMERIC
AUTOTRANSPORTER
ADHESIN

(Acinetobacter
sp. Tol 5) 		PF05662
(YadA_stalk) 		4 LEU A3183
GLY A3188
GLY A3189
ALA A3191
 None
 0.73A 4yjiA-3wprA:
undetectable		 4yjiA-3wprA:
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.
3wwp (S)-HYDROXYNITRILE
LYASE

(Baliospermum
montanum) 		PF00561
(Abhydrolase_1) 		4 LEU A 183
GLY A  81
GLY A  82
ILE A  86
 None
 0.64A 4yjiA-3wwpA:
undetectable		 4yjiA-3wwpA:
20.55
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.
3zuq BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		4 LEU A 352
GLY A 241
GLY A 186
ILE A 299
 None
 0.73A 4yjiA-3zuqA:
undetectable		 4yjiA-3zuqA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zus BOTULINUM NEUROTOXIN
TYPE A,
SYNAPTOSOMAL-ASSOCIA
TED PROTEIN 23

(Clostridium
botulinum;
Homo sapiens) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		4 LEU A 345
GLY A 234
GLY A 179
ILE A 293
 None
 0.74A 4yjiA-3zusA:
undetectable		 4yjiA-3zusA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bb9 GLUCOKINASE
REGULATORY PROTEIN

(Homo sapiens) 		no annotation 4 LEU A 480
GLY A 263
GLY A 262
ILE A 249
 None
 0.64A 4yjiA-4bb9A:
undetectable		 4yjiA-4bb9A:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cak INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF17205
(PSI_integrin) 		4 THR B 254
GLY B 222
GLY B 221
ILE B 265
 None
 0.73A 4yjiA-4cakB:
undetectable		 4yjiA-4cakB:
20.80
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.
4crs SERINE/THREONINE-PRO
TEIN KINASE N2

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		4 GLY A 743
GLY A 742
ALA A 740
ILE A 937
 None
None
AGS  A1985 (-3.9A)
None
 0.73A 4yjiA-4crsA:
undetectable		 4yjiA-4crsA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d4p PROTEIN ATS1,
DIPHTHAMIDE
BIOSYNTHESIS PROTEIN
3

(Saccharomyces
cerevisiae) 		PF00415
(RCC1)
PF05207
(zf-CSL) 		4 LEU A  15
GLY A 325
GLY A 324
ILE A 274
 None
 0.59A 4yjiA-4d4pA:
undetectable		 4yjiA-4d4pA:
21.31
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.
4dna PROBABLE GLUTATHIONE
REDUCTASE

(Sinorhizobium
meliloti) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLY A  14
GLY A  13
ALA A 140
ILE A  33
 FAD  A 500 (-3.2A)
FAD  A 500 (-4.4A)
FAD  A 500 (-4.5A)
None
 0.69A 4yjiA-4dnaA:
undetectable		 4yjiA-4dnaA:
23.16
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.
4gl3 PUTATIVE
GLUCOAMYLASE

(Bacteroides
uniformis) 		PF10091
(Glycoamylase) 		4 LEU A 402
SER A 400
GLY A 333
ALA A 398
 None
 0.61A 4yjiA-4gl3A:
undetectable		 4yjiA-4gl3A:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iuy SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE

(Acinetobacter
baumannii) 		PF00106
(adh_short) 		4 LEU A  45
GLY A  21
ALA A  25
ILE A  91
 None
 0.70A 4yjiA-4iuyA:
undetectable		 4yjiA-4iuyA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j0w U3 SMALL NUCLEOLAR
RNA-INTERACTING
PROTEIN 2

(Homo sapiens) 		PF00400
(WD40) 		4 LEU A 360
SER A 346
GLY A 325
ALA A 342
 None
 0.67A 4yjiA-4j0wA:
undetectable		 4yjiA-4j0wA:
23.72
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.
4jxn OCTAPRENYL-DIPHOSPHA
TE SYNTHASE

(Roseobacter
denitrificans) 		PF00348
(polyprenyl_synt) 		4 LEU A  78
THR A  61
GLY A 192
ALA A  65
 None
 0.73A 4yjiA-4jxnA:
undetectable		 4yjiA-4jxnA:
24.10
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.
4lxi MCP HYDROLASE

(Sphingomonas
wittichii) 		PF12697
(Abhydrolase_6) 		4 GLY A  34
GLY A  35
ALA A  38
ILE A 162
 22J  A 301 (-3.7A)
22J  A 301 (-3.1A)
22J  A 301 (-3.4A)
None
 0.74A 4yjiA-4lxiA:
1.4		 4yjiA-4lxiA:
19.00
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.
4mch URIDINE
PHOSPHORYLASE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		4 SER A 183
GLY A 114
GLY A 115
ILE A  71
 None
 0.65A 4yjiA-4mchA:
undetectable		 4yjiA-4mchA:
17.88
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.
4o4f INOSITOL
HEXAKISPHOSPHATE
KINASE

(Entamoeba
histolytica) 		PF03770
(IPK) 		4 LEU A 165
THR A 127
GLY A 132
GLY A 103
 None
 0.73A 4yjiA-4o4fA:
undetectable		 4yjiA-4o4fA:
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		4 SER A 649
GLY A 665
ALA A 668
ILE A 646
 None
 0.67A 4yjiA-4om9A:
undetectable		 4yjiA-4om9A:
19.09
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.
4u28 PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
sviceus) 		PF00977
(His_biosynth) 		4 LEU A 209
SER A 223
GLY A 202
GLY A 201
 None
None
PO4  A 301 (-3.7A)
PO4  A 301 (-3.6A)
 0.72A 4yjiA-4u28A:
undetectable		 4yjiA-4u28A:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x33 PROTEIN ATS1

(Saccharomyces
cerevisiae) 		PF00415
(RCC1) 		4 LEU B  15
GLY B 325
GLY B 324
ILE B 274
 None
 0.59A 4yjiA-4x33B:
undetectable		 4yjiA-4x33B:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xox 3-OXOACYL-ACP
SYNTHASE

(Vibrio cholerae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 GLY A 233
GLY A 234
ALA A 334
ILE A 341
 None
 0.70A 4yjiA-4xoxA:
undetectable		 4yjiA-4xoxA:
23.35
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.
4xzw ENDO-GLUCANASE
CHIMERA C10

(Geobacillus sp.
70PC53;
uncultured
bacterium) 		PF00150
(Cellulase) 		4 LEU A 244
SER A 247
GLY A 232
ALA A 205
 None
 0.72A 4yjiA-4xzwA:
undetectable		 4yjiA-4xzwA:
21.34
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.
4z42 UREASE SUBUNIT ALPHA

(Yersinia
enterocolitica) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 LEU C 317
GLY C 282
GLY C 283
ILE C 289
 None
 0.68A 4yjiA-4z42C:
undetectable		 4yjiA-4z42C:
23.11
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.
4zu2 PUTATIVE
ISOHEXENYLGLUTACONYL
-COA HYDRATASE

(Pseudomonas
aeruginosa) 		PF00378
(ECH_1) 		5 SER A  27
GLY A  67
GLY A  68
ALA A  30
ILE A  70
 None
 1.35A 4yjiA-4zu2A:
undetectable		 4yjiA-4zu2A:
21.58
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.
5a3j PUTATIVE
QUINONE-OXIDOREDUCTA
SE HOMOLOG,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		4 GLY A  16
GLY A  17
ALA A  19
ILE A 317
 None
 0.72A 4yjiA-5a3jA:
undetectable		 4yjiA-5a3jA:
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.
5b37 TRYPTOPHAN
DEHYDROGENASE

(Nostoc
punctiforme) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 LEU A 276
THR A 328
GLY A 325
ALA A 321
 None
 0.65A 4yjiA-5b37A:
undetectable		 4yjiA-5b37A:
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.
5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		4 LEU A 354
GLY A 240
GLY A 185
ILE A 300
 None
 0.73A 4yjiA-5bqnA:
undetectable		 4yjiA-5bqnA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d3o GLUTAMINASE KIDNEY
ISOFORM,
MITOCHONDRIAL

(Homo sapiens) 		PF04960
(Glutaminase) 		4 LEU A 168
THR A 171
GLY A 275
ILE A 447
 None
 0.65A 4yjiA-5d3oA:
undetectable		 4yjiA-5d3oA:
23.04
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.
5dmp UNCHARACTERIZED
PROTEIN

(Methanocella
paludicola) 		PF13298
(LigD_N) 		4 SER A  43
GLY A  99
GLY A 100
ALA A  42
 None
MG  A 208 ( 4.0A)
None
None
 0.65A 4yjiA-5dmpA:
undetectable		 4yjiA-5dmpA:
17.07
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.
5ffq SHUY-LIKE PROTEIN

(Escherichia
coli) 		PF13460
(NAD_binding_10) 		4 GLY A  11
GLY A  10
ALA A  16
ILE A  33
 None
 0.73A 4yjiA-5ffqA:
undetectable		 4yjiA-5ffqA:
19.56
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.
5grj AVELUMAB L CHAIN

(Homo sapiens) 		PF07686
(V-set) 		4 LEU L   4
SER L  92
GLY L  30
GLY L  31
 None
 0.73A 4yjiA-5grjL:
undetectable		 4yjiA-5grjL:
10.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hv6 PHOSPHOENOLPYRUVATE
SYNTHASE

(Listeria
monocytogenes) 		PF01326
(PPDK_N) 		4 LEU A 215
GLY A 255
GLY A 254
ILE A 141
 None
 0.57A 4yjiA-5hv6A:
undetectable		 4yjiA-5hv6A:
21.43
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.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 LEU A 853
GLY A 145
GLY A 146
ILE A 139
 None
 0.73A 4yjiA-5ihrA:
undetectable		 4yjiA-5ihrA:
19.49
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.
5jvf SITE-DETERMINING
PROTEIN

(Pseudomonas
aeruginosa) 		PF10609
(ParA) 		4 SER A  28
THR A 128
GLY A  17
GLY A  18
 None
None
None
IOD  A 311 (-3.5A)
 0.72A 4yjiA-5jvfA:
undetectable		 4yjiA-5jvfA:
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.
5kjo ENDOGLUCANASE V-LIKE
PROTEIN

(Phanerochaete
chrysosporium) 		no annotation 4 GLY A 120
GLY A 121
ALA A 123
ILE A 115
 None
 0.74A 4yjiA-5kjoA:
undetectable		 4yjiA-5kjoA:
15.50
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.
5koh NITROGENASE FEMO
BETA SUBUNIT PROTEIN
NIFK

(Gluconacetobacter
diazotrophicus) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		4 SER B 173
GLY B 133
ALA B 135
ILE B 146
 None
 0.66A 4yjiA-5kohB:
undetectable		 4yjiA-5kohB:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5li8 PUTATIVE CYTOCHROME
P450 126

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		4 LEU A 376
GLY A 265
GLY A 264
ILE A 404
 None
 0.65A 4yjiA-5li8A:
undetectable		 4yjiA-5li8A:
22.12
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.
5li8 PUTATIVE CYTOCHROME
P450 126

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		4 LEU A 380
GLY A 265
GLY A 264
ILE A 404
 None
 0.73A 4yjiA-5li8A:
undetectable		 4yjiA-5li8A:
22.12
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.
5mxf PHOTORHABDUS
ASYMBIOTICA LECTIN
PHL

(Photorhabdus
asymbiotica) 		PF03984
(DUF346) 		4 LEU A 265
THR A 297
ALA A 285
ILE A 228
 None
 0.72A 4yjiA-5mxfA:
undetectable		 4yjiA-5mxfA:
24.47
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.
5n56 SUPEROXIDE DISMUTASE
[MN/FE] 1

(Staphylococcus
aureus) 		no annotation 4 LEU A  83
GLY A  76
GLY A  75
ILE A  56
 None
 0.62A 4yjiA-5n56A:
undetectable		 4yjiA-5n56A:
11.31
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.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 4 LEU A 803
GLY A1050
GLY A1049
ALA A1054
 A  B  -1 ( 4.2A)
None
None
None
 0.73A 4yjiA-5ng6A:
undetectable		 4yjiA-5ng6A:
15.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nxk SERINE-RICH SECRETED
CELL WALL ANCHORED
(LPXTG-MOTIF )
PROTEIN

(Lactobacillus
reuteri) 		no annotation 5 THR A 345
GLY A 320
GLY A 321
ALA A 315
ILE A 295
 None
 1.15A 4yjiA-5nxkA:
undetectable		 4yjiA-5nxkA:
10.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o8f GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-3,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT
ALPHA-5,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-5

(Homo sapiens) 		no annotation 4 LEU A 208
GLY A 171
GLY A 170
ALA A 174
 None
 0.74A 4yjiA-5o8fA:
undetectable		 4yjiA-5o8fA:
22.56
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.
5u30 CRISPR-ASSOCIATED
ENDONUCLEASE C2C1

(Alicyclobacillus
acidoterrestris) 		no annotation 4 LEU A 502
GLY A 478
GLY A 477
ILE A 459
 None
 0.59A 4yjiA-5u30A:
undetectable		 4yjiA-5u30A:
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.
5w0s 60 KDA CHAPERONIN

(Escherichia
coli) 		PF00118
(Cpn60_TCP1) 		4 THR A 299
GLY A 297
ALA A 293
ILE A 342
 None
 0.67A 4yjiA-5w0sA:
undetectable		 4yjiA-5w0sA:
23.56
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.
5wgc DAUNORUBICIN-DOXORUB
ICIN POLYKETIDE
SYNTHASE

(Streptomyces
peucetius) 		no annotation 4 SER A 326
GLY A 120
GLY A 121
ILE A 304
 42Y  A 118 ( 3.7A)
42Y  A 118 ( 4.9A)
None
None
 0.73A 4yjiA-5wgcA:
undetectable		 4yjiA-5wgcA:
11.20
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.
5ys9 ACYL-COENZYME A
OXIDASE 3

(Yarrowia
lipolytica) 		no annotation 4 LEU A 105
SER A 108
GLY A 123
ILE A 120
 None
 0.74A 4yjiA-5ys9A:
undetectable		 4yjiA-5ys9A:
9.74
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.
6eq8 PERIPLASMIC
ALPHA-GALACTOSIDE-BI
NDING PROTEIN

(Agrobacterium
tumefaciens) 		no annotation 4 LEU D 530
GLY D 525
GLY D 524
ALA D 521
 None
 0.72A 4yjiA-6eq8D:
undetectable		 4yjiA-6eq8D:
10.51