SIMILAR PATTERNS OF AMINO ACIDS FOR 1PCG_A_ESTA1

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.
1a6d THERMOSOME (BETA
SUBUNIT)

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		5 LEU B 342
ALA B 328
LEU B 239
LEU B 240
ILE B 308
 None
 1.34A 1pcgA-1a6dB:
undetectable		 1pcgA-1a6dB:
20.57
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.
1dkp PHYTASE

(Escherichia
coli) 		PF00328
(His_Phos_2) 		5 ALA A 214
LEU A 249
LEU A 247
ILE A 237
LEU A 170
 None
 1.26A 1pcgA-1dkpA:
undetectable		 1pcgA-1dkpA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e0r THERMOSOME

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		5 LEU B 342
ALA B 328
LEU B 239
LEU B 240
ILE B 308
 None
 1.27A 1pcgA-1e0rB:
undetectable		 1pcgA-1e0rB:
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.
1ef1 MOESIN

(Homo sapiens) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		5 LEU A 125
ALA A 129
LEU A 192
ILE A 115
LEU A 111
 None
 1.34A 1pcgA-1ef1A:
undetectable		 1pcgA-1ef1A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eg3 DYSTROPHIN

(Homo sapiens) 		PF00397
(WW)
PF09068
(EF-hand_2)
PF09069
(EF-hand_3) 		5 LEU A 148
LEU A 179
LEU A  53
ARG A  63
HIS A 136
 None
 1.18A 1pcgA-1eg3A:
undetectable		 1pcgA-1eg3A:
21.94
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.
1j85 YIBK

(Haemophilus
influenzae) 		PF00588
(SpoU_methylase) 		5 LEU A  29
LEU A  97
MET A  98
ILE A  32
HIS A  60
 None
 1.26A 1pcgA-1j85A:
undetectable		 1pcgA-1j85A:
22.83
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.
1lox 15-LIPOXYGENASE

(Oryctolagus
cuniculus) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 LEU A 358
ALA A 433
LEU A 281
LEU A 282
HIS A 356
 None
 1.15A 1pcgA-1loxA:
undetectable		 1pcgA-1loxA:
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.
1lqa TAS PROTEIN

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		5 ALA A  85
LEU A  82
ARG A  79
ILE A  44
LEU A 306
 None
None
None
None
NDP  A1400 (-4.2A)
 1.06A 1pcgA-1lqaA:
undetectable		 1pcgA-1lqaA:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1odg DNA MISMATCH
ENDONUCLEASE

(Escherichia
coli) 		PF03852
(Vsr) 		5 LEU A 134
ALA A 129
LEU A 125
LEU A 119
ARG A  27
 None
 1.28A 1pcgA-1odgA:
undetectable		 1pcgA-1odgA:
22.91
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.
1sgv TRNA PSEUDOURIDINE
SYNTHASE B

(Mycobacterium
tuberculosis) 		PF01509
(TruB_N)
PF09142
(TruB_C)
PF16198
(TruB_C_2) 		5 ALA A 231
GLU A 230
LEU A 226
LEU A 224
LEU A  63
 None
 1.13A 1pcgA-1sgvA:
undetectable		 1pcgA-1sgvA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sgv TRNA PSEUDOURIDINE
SYNTHASE B

(Mycobacterium
tuberculosis) 		PF01509
(TruB_N)
PF09142
(TruB_C)
PF16198
(TruB_C_2) 		5 ALA A 231
LEU A 226
LEU A 224
ILE A  51
LEU A  63
 None
 1.08A 1pcgA-1sgvA:
undetectable		 1pcgA-1sgvA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ugo BCL2-ASSOCIATED
ATHANOGENE 5

(Mus musculus) 		PF02179
(BAG) 		5 ALA A  79
GLU A  83
LEU A  57
LEU A  53
LEU A  20
 None
 1.12A 1pcgA-1ugoA:
undetectable		 1pcgA-1ugoA:
16.26
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.
1v10 LACCASE

(Rigidoporus
microporus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 LEU A 120
LEU A  10
LEU A  52
ILE A  87
LEU A   7
 None
 1.25A 1pcgA-1v10A:
undetectable		 1pcgA-1v10A:
17.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xb7 STEROID HORMONE
RECEPTOR ERR1

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 324
GLU A 331
LEU A 365
ARG A 372
HIS A 494
 None
 0.52A 1pcgA-1xb7A:
28.3		 1pcgA-1xb7A:
33.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 272
LEU A 309
ARG A 316
ILE A 345
LEU A 436
 9CR  A 801 (-3.5A)
9CR  A 801 (-4.2A)
9CR  A 801 (-2.6A)
9CR  A 801 ( 4.5A)
9CR  A 801 (-4.7A)
 0.99A 1pcgA-1xlsA:
25.5		 1pcgA-1xlsA:
32.03
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.
1z54 PROBABLE
THIOESTERASE

(Thermus
thermophilus) 		PF03061
(4HBT) 		5 LEU A  37
ALA A  40
LEU A 129
LEU A  79
ILE A 118
 None
 1.20A 1pcgA-1z54A:
undetectable		 1pcgA-1z54A:
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.
1z7e PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF01370
(Epimerase)
PF02911
(Formyl_trans_C) 		5 LEU A 165
ALA A 168
LEU A 148
HIS A 104
LEU A 103
 None
 1.26A 1pcgA-1z7eA:
undetectable		 1pcgA-1z7eA:
17.30
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.
2dh4 YPL069C

(Saccharomyces
cerevisiae) 		PF00348
(polyprenyl_synt) 		5 LEU A 185
ALA A 188
LEU A 128
ILE A  64
LEU A  57
 None
 1.11A 1pcgA-2dh4A:
undetectable		 1pcgA-2dh4A:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fv0 UNSATURATED
GLUCURONYL HYDROLASE

(Bacillus sp.
GL1) 		PF07470
(Glyco_hydro_88) 		5 LEU A  10
ALA A   5
LEU A 361
LEU A 362
ILE A  50
 None
 1.16A 1pcgA-2fv0A:
undetectable		 1pcgA-2fv0A:
20.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 268
ALA A 272
GLU A 275
LEU A 309
ARG A 316
HIS A 434
 OHT  A 500 (-4.1A)
OHT  A 500 (-3.5A)
OHT  A 500 (-2.6A)
OHT  A 500 ( 4.0A)
OHT  A 500 (-3.8A)
OHT  A 500 ( 4.7A)
 0.66A 1pcgA-2gpvA:
26.4		 1pcgA-2gpvA:
37.30
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.
2hx0 PUTATIVE DNA-BINDING
PROTEIN

(Salmonella
enterica) 		PF03479
(DUF296) 		5 ALA A  40
GLU A 117
LEU A  37
ARG A 141
LEU A  28
 None
 1.30A 1pcgA-2hx0A:
undetectable		 1pcgA-2hx0A:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2it2 UPF0130 PROTEIN
PH1069

(Pyrococcus
horikoshii) 		PF02676
(TYW3) 		5 ALA A 125
LEU A 121
ILE A 144
HIS A 109
LEU A 108
 None
 1.29A 1pcgA-2it2A:
undetectable		 1pcgA-2it2A:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j5g ALR4455 PROTEIN

(Nostoc sp. PCC
7120) 		PF00378
(ECH_1) 		5 LEU D 158
LEU D 103
LEU D 104
ARG D 221
ILE D 236
 None
 1.02A 1pcgA-2j5gD:
undetectable		 1pcgA-2j5gD:
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.
2ja2 GLUTAMYL-TRNA
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00749
(tRNA-synt_1c) 		5 LEU A  23
ALA A  27
LEU A  65
LEU A  61
LEU A 284
 None
 1.31A 1pcgA-2ja2A:
undetectable		 1pcgA-2ja2A:
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.
2lfd DIIRON PROTEIN

(Escherichia
coli) 		no annotation 5 LEU A  96
ALA A  94
LEU A  22
LEU A  18
LEU A  33
 None
 1.24A 1pcgA-2lfdA:
undetectable		 1pcgA-2lfdA:
21.12
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.
2o08 BH1327 PROTEIN

(Bacillus
halodurans) 		PF01966
(HD) 		5 LEU A  32
ALA A  43
LEU A 119
LEU A 118
ILE A 153
 PG4  A 503 (-4.7A)
None
None
None
None
 1.10A 1pcgA-2o08A:
undetectable		 1pcgA-2o08A:
22.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		10 LEU A 346
ALA A 350
GLU A 353
LEU A 387
MET A 388
LEU A 391
ARG A 394
ILE A 424
HIS A 524
LEU A 525
 EST  A 596 (-4.4A)
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
EST  A 596 ( 4.2A)
None
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 ( 4.7A)
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
 0.41A 1pcgA-2ocfA:
36.6		 1pcgA-2ocfA:
98.36
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.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 321
ALA A 362
ILE A 354
HIS A 440
LEU A 436
 735  A 469 ( 4.3A)
None
735  A 469 (-3.7A)
735  A 469 (-4.0A)
None
 1.28A 1pcgA-2p54A:
21.3		 1pcgA-2p54A:
24.75
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.
2pjq UNCHARACTERIZED
PROTEIN LP_2664

(Lactobacillus
plantarum) 		PF01966
(HD) 		5 ALA A  37
LEU A  52
LEU A  50
ILE A  97
HIS A  58
 None
 0.96A 1pcgA-2pjqA:
undetectable		 1pcgA-2pjqA:
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.
2pyj DNA POLYMERASE

(Bacillus virus
phi29) 		PF03175
(DNA_pol_B_2) 		5 LEU A 185
ALA A 190
LEU A 384
ILE A 378
LEU A 126
 EDO  A2793 ( 4.8A)
None
None
None
None
 1.22A 1pcgA-2pyjA:
undetectable		 1pcgA-2pyjA:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qez ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Listeria
monocytogenes) 		PF06751
(EutB) 		5 LEU A  96
GLU A  94
LEU A 128
ILE A 122
LEU A  59
 None
 1.27A 1pcgA-2qezA:
undetectable		 1pcgA-2qezA:
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.
2qr4 PEPTIDASE M3B,
OLIGOENDOPEPTIDASE F

(Enterococcus
faecium) 		PF01432
(Peptidase_M3)
PF08439
(Peptidase_M3_N) 		5 LEU A 118
GLU A 158
ARG A 251
ILE A 142
LEU A  51
 None
 1.29A 1pcgA-2qr4A:
undetectable		 1pcgA-2qr4A:
17.55
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.
2qzp ACYLAMINO-ACID-RELEA
SING ENZYME

(Aeropyrum
pernix) 		PF00326
(Peptidase_S9) 		5 LEU A 516
ALA A 464
MET A 442
ILE A 519
HIS A 549
 None
 1.09A 1pcgA-2qzpA:
undetectable		 1pcgA-2qzpA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xts SULFITE
DEHYDROGENASE

(Paracoccus
pantotrophus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 LEU A 197
ALA A 200
LEU A 139
MET A 130
LEU A 129
 None
 1.30A 1pcgA-2xtsA:
undetectable		 1pcgA-2xtsA:
20.96
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.
2xym RNA-DIRECTED RNA
POLYMERASE

(Hepacivirus C) 		PF00998
(RdRP_3) 		5 ALA A  88
LEU A  83
LEU A  82
ILE A 253
LEU A 285
 None
 1.22A 1pcgA-2xymA:
undetectable		 1pcgA-2xymA:
18.92
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.
3dka DINB-LIKE PROTEIN

(Bacillus
subtilis) 		PF05163
(DinB) 		5 LEU A 120
LEU A 121
ILE A  92
HIS A  53
LEU A  54
 None
 1.33A 1pcgA-3dkaA:
undetectable		 1pcgA-3dkaA:
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.
3ego PROBABLE
2-DEHYDROPANTOATE
2-REDUCTASE

(Bacillus
subtilis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 ALA A 217
GLU A 216
LEU A 280
LEU A 283
LEU A 180
 None
 1.29A 1pcgA-3egoA:
undetectable		 1pcgA-3egoA:
21.88
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.
3goa 3-KETOACYL-COA
THIOLASE

(Salmonella
enterica) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 246
LEU A  34
MET A  35
LEU A  38
ILE A  53
 None
 1.09A 1pcgA-3goaA:
undetectable		 1pcgA-3goaA:
22.66
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.
3h5t TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Corynebacterium
glutamicum) 		PF00356
(LacI)
PF13377
(Peripla_BP_3) 		5 LEU A 195
ALA A 280
LEU A 300
LEU A 298
ILE A 192
 None
 1.28A 1pcgA-3h5tA:
undetectable		 1pcgA-3h5tA:
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.
3ig3 PLXNA3 PROTEIN

(Mus musculus) 		PF08337
(Plexin_cytopl) 		5 LEU A1391
LEU A1417
MET A1416
ILE A1348
HIS A1349
 None
 1.34A 1pcgA-3ig3A:
undetectable		 1pcgA-3ig3A:
18.02
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.
3izk CHAPERONIN

(Methanococcus
maripaludis) 		PF00118
(Cpn60_TCP1) 		5 LEU A 309
ALA A 295
LEU A 228
LEU A 229
ILE A 275
 None
 1.23A 1pcgA-3izkA:
undetectable		 1pcgA-3izkA:
18.66
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.
3izk CHAPERONIN

(Methanococcus
maripaludis) 		PF00118
(Cpn60_TCP1) 		5 LEU A 482
LEU A 104
LEU A 105
ILE A  19
LEU A  97
 None
 1.28A 1pcgA-3izkA:
undetectable		 1pcgA-3izkA:
18.66
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.
3kn1 GOLGI PHOSPHOPROTEIN
3

(Homo sapiens) 		PF05719
(GPP34) 		5 LEU A 133
ALA A 136
GLU A 135
ARG A 176
LEU A  94
 None
 1.29A 1pcgA-3kn1A:
undetectable		 1pcgA-3kn1A:
24.00
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.
3kn1 GOLGI PHOSPHOPROTEIN
3

(Homo sapiens) 		PF05719
(GPP34) 		5 LEU A 133
ALA A 136
GLU A 135
LEU A 170
LEU A  94
 None
 1.19A 1pcgA-3kn1A:
undetectable		 1pcgA-3kn1A:
24.00
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.
3kn1 GOLGI PHOSPHOPROTEIN
3

(Homo sapiens) 		PF05719
(GPP34) 		5 LEU A 133
ALA A 136
LEU A 156
ILE A  95
LEU A 103
 None
 1.06A 1pcgA-3kn1A:
undetectable		 1pcgA-3kn1A:
24.00
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.
3kye ROADBLOCK/LC7
DOMAIN, ROBL_LC7

(Streptomyces
avermitilis) 		PF03259
(Robl_LC7) 		5 LEU A  16
MET A  17
LEU A  20
ARG A  23
LEU A 128
 None
 1.25A 1pcgA-3kyeA:
undetectable		 1pcgA-3kyeA:
23.43
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.
3l0s ADENYLATE KINASE

(Desulfovibrio
gigas) 		PF00406
(ADK) 		5 LEU A  69
LEU A  95
ILE A  34
HIS A  38
LEU A  45
 None
 1.22A 1pcgA-3l0sA:
undetectable		 1pcgA-3l0sA:
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.
3ln3 DIHYDRODIOL
DEHYDROGENASE

(Mus musculus) 		PF00248
(Aldo_ket_red) 		5 LEU A 268
ALA A 218
LEU A 260
ILE A  16
LEU A  19
 NAD  A 327 ( 4.4A)
NAD  A 327 (-4.9A)
None
None
None
 1.21A 1pcgA-3ln3A:
undetectable		 1pcgA-3ln3A:
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.
3n2b DIAMINOPIMELATE
DECARBOXYLASE

(Vibrio cholerae) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ALA A 257
LEU A 241
ILE A  56
HIS A  54
LEU A 272
 None
 1.18A 1pcgA-3n2bA:
undetectable		 1pcgA-3n2bA:
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.
3nzp ARGININE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF02784
(Orn_Arg_deC_N) 		5 ALA A 251
GLU A 250
LEU A 186
ILE A 238
LEU A 271
 None
 1.24A 1pcgA-3nzpA:
undetectable		 1pcgA-3nzpA:
17.84
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.
3ozy PUTATIVE MANDELATE
RACEMASE

(Bordetella
bronchiseptica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 212
LEU A 206
LEU A 230
ILE A 250
LEU A 218
 None
 1.30A 1pcgA-3ozyA:
undetectable		 1pcgA-3ozyA:
23.42
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.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		5 LEU B 375
ALA B 378
LEU B 408
HIS B 575
LEU B 539
 None
 1.12A 1pcgA-3p8cB:
undetectable		 1pcgA-3p8cB:
12.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q0g ENOYL-COA HYDRATASE
ECHA8

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1) 		5 ALA A 170
GLU A 169
LEU A 158
ARG A 163
LEU A 119
 None
 1.33A 1pcgA-3q0gA:
undetectable		 1pcgA-3q0gA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qgh RNA-DIRECTED RNA
POLYMERASE

(Hepacivirus C) 		PF00998
(RdRP_3) 		5 ALA A  88
LEU A  83
LEU A  82
ILE A 253
LEU A 285
 None
 1.19A 1pcgA-3qghA:
undetectable		 1pcgA-3qghA:
18.44
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.
3rde ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Sus scrofa) 		PF00305
(Lipoxygenase) 		5 LEU A 358
ALA A 433
LEU A 281
LEU A 282
HIS A 356
 None
 1.08A 1pcgA-3rdeA:
undetectable		 1pcgA-3rdeA:
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.
3rot ABC SUGAR
TRANSPORTER,
PERIPLASMIC SUGAR
BINDING PROTEIN

(Legionella
pneumophila) 		PF13407
(Peripla_BP_4) 		5 LEU A 124
ALA A 110
LEU A 277
ILE A 106
LEU A  98
 None
 1.25A 1pcgA-3rotA:
undetectable		 1pcgA-3rotA:
23.47
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.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		5 ALA A 622
GLU A 110
LEU A 203
ARG A  81
ILE A 236
 None
 1.31A 1pcgA-3syjA:
undetectable		 1pcgA-3syjA:
12.98
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.
3vis ESTERASE

(Thermobifida
alba) 		PF12740
(Chlorophyllase2) 		5 ALA A 160
LEU A 147
LEU A 143
ARG A 182
ILE A  81
 None
 1.21A 1pcgA-3visA:
undetectable		 1pcgA-3visA:
23.38
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.
3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE

(Citrus x
microcarpa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 LEU A 222
ALA A  21
LEU A 236
LEU A 346
ILE A 239
 LEU  A 222 ( 0.6A)
ALA  A  21 ( 0.0A)
LEU  A 236 ( 0.6A)
LEU  A 346 ( 0.6A)
ILE  A 239 ( 0.7A)
 1.29A 1pcgA-3wd7A:
undetectable		 1pcgA-3wd7A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fhn NUCLEOPORIN NUP120

(Schizosaccharomyces
pombe) 		PF11715
(Nup160) 		5 LEU B 867
LEU B 895
ILE B 885
HIS B 901
LEU B 902
 None
 1.16A 1pcgA-4fhnB:
undetectable		 1pcgA-4fhnB:
11.94
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.
4g3m RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBD

(Bacillus
subtilis) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		5 LEU A  71
ALA A 130
GLU A 131
ARG A 142
ILE A 111
 None
 1.05A 1pcgA-4g3mA:
undetectable		 1pcgA-4g3mA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gx8 DNA POLYMERASE III
SUBUNIT EPSILON,DNA
POLYMERASE III
SUBUNIT ALPHA

(Escherichia
coli) 		PF02811
(PHP) 		5 LEU A  79
ALA A  77
LEU A  33
HIS A  53
LEU A  84
 None
 1.25A 1pcgA-4gx8A:
undetectable		 1pcgA-4gx8A:
21.47
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.
4hhr ALPHA-DIOXYGENASE

(Arabidopsis
thaliana) 		PF03098
(An_peroxidase) 		5 LEU A 540
ALA A 542
LEU A 453
ILE A 484
LEU A 534
 None
 1.23A 1pcgA-4hhrA:
undetectable		 1pcgA-4hhrA:
17.23
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.
4hzu ENERGY-COUPLING
FACTOR TRANSPORTER
TRANSMEMBRANE
PROTEIN ECFT
PREDICTED MEMBRANE
PROTEIN

(Lactobacillus
brevis) 		PF02361
(CbiQ)
PF07155
(ECF-ribofla_trS) 		5 ALA T 175
GLU T 174
LEU T 208
ARG T 215
LEU S  39
 None
 1.32A 1pcgA-4hzuT:
undetectable		 1pcgA-4hzuT:
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.
4ifr 2-AMINO-3-CARBOXYMUC
ONATE 6-SEMIALDEHYDE
DECARBOXYLASE

(Pseudomonas
fluorescens) 		PF04909
(Amidohydro_2) 		5 LEU A 164
ALA A 162
LEU A 126
LEU A 123
ILE A 144
 None
 1.14A 1pcgA-4ifrA:
undetectable		 1pcgA-4ifrA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4it1 PUTATIVE GLUCARATE
DEHYDRATASE

(Pseudomonas
fluorescens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 382
GLU A  47
LEU A 329
ILE A 374
LEU A 130
 None
 1.27A 1pcgA-4it1A:
undetectable		 1pcgA-4it1A:
21.52
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.
4lzi MULTICYSTATIN

(Solanum
tuberosum) 		PF00031
(Cystatin) 		5 ALA A 156
LEU A 154
LEU A 138
ILE A 258
LEU A 185
 None
 1.19A 1pcgA-4lziA:
undetectable		 1pcgA-4lziA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lzi MULTICYSTATIN

(Solanum
tuberosum) 		PF00031
(Cystatin) 		5 ALA A 250
LEU A 248
LEU A 232
ILE A 164
LEU A 279
 None
 1.30A 1pcgA-4lziA:
undetectable		 1pcgA-4lziA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n1j NACHT, LRR AND PYD
DOMAINS-CONTAINING
PROTEIN 14

(Homo sapiens) 		PF02758
(PYRIN) 		5 ALA A  53
GLU A  49
MET A  62
ILE A  78
LEU A  27
 None
 1.30A 1pcgA-4n1jA:
undetectable		 1pcgA-4n1jA:
18.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		6 LEU A 283
ALA A 287
GLU A 290
LEU A 324
ARG A 331
ILE A 361
 None
 0.59A 1pcgA-4n1yA:
30.8		 1pcgA-4n1yA:
39.36
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.
4o1o RIBONUCLEASE L

(Sus scrofa) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A)
PF12796
(Ank_2)
PF13857
(Ank_5) 		5 LEU A 108
LEU A 106
ILE A  96
HIS A  62
LEU A  61
 None
 1.19A 1pcgA-4o1oA:
undetectable		 1pcgA-4o1oA:
17.23
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.
4oyd APOPTOSIS REGULATOR
BHRF1

(Human
gammaherpesvirus
4) 		PF00452
(Bcl-2) 		5 LEU A  31
ALA A  33
LEU A  10
HIS A  26
LEU A  25
 None
 1.27A 1pcgA-4oydA:
2.2		 1pcgA-4oydA:
26.36
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.
4quk DIHYDROFLAVONOL-4-RE
DUCTASE

(Medicago
truncatula) 		PF01370
(Epimerase) 		5 ALA A 235
LEU A  26
LEU A  27
HIS A  49
LEU A 200
 None
 1.30A 1pcgA-4qukA:
undetectable		 1pcgA-4qukA:
20.49
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.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		5 LEU A 144
ALA A 138
GLU A 137
LEU A 100
ILE A  57
 None
 1.25A 1pcgA-4r85A:
undetectable		 1pcgA-4r85A:
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.
4rkr TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Arthrobacter
sp. FB24) 		PF13377
(Peripla_BP_3) 		5 LEU A 301
GLU A 303
LEU A 331
ARG A 334
LEU A 152
 None
 1.09A 1pcgA-4rkrA:
undetectable		 1pcgA-4rkrA:
25.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rm9 EZRIN

(Homo sapiens) 		PF00373
(FERM_M)
PF00769
(ERM)
PF09379
(FERM_N)
PF09380
(FERM_C) 		5 LEU A 125
ALA A 129
LEU A 192
ILE A 115
LEU A 111
 None
 1.27A 1pcgA-4rm9A:
2.9		 1pcgA-4rm9A:
16.44
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.
4rma EZRIN

(Homo sapiens) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		5 LEU A 125
ALA A 129
LEU A 192
ILE A 115
LEU A 111
 None
 1.34A 1pcgA-4rmaA:
undetectable		 1pcgA-4rmaA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u90 GEPHYRIN

(Rattus
norvegicus) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		5 LEU A 586
LEU A 555
LEU A 554
ILE A 568
LEU A 612
 None
 1.27A 1pcgA-4u90A:
undetectable		 1pcgA-4u90A:
21.94
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.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 769
ALA A 773
LEU A 810
LEU A 814
ARG A 817
 CV7  A1987 (-4.1A)
CV7  A1987 (-3.5A)
CV7  A1987 (-4.0A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
 0.36A 1pcgA-4udbA:
27.0		 1pcgA-4udbA:
27.88
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.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		5 LEU A 305
LEU A 296
LEU A 286
ARG A 272
LEU A 159
 None
None
None
None
VFV  A 580 (-4.5A)
 1.16A 1pcgA-4uhiA:
undetectable		 1pcgA-4uhiA:
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.
4utg SUGAR KINASE

(Burkholderia
pseudomallei) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 LEU A 133
ALA A 129
LEU A 136
ILE A  91
LEU A 104
 None
 1.31A 1pcgA-4utgA:
undetectable		 1pcgA-4utgA:
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.
5a21 PORTAL PROTEIN

(Bacillus phage
SPP1) 		PF05133
(Phage_prot_Gp6) 		5 LEU A 199
ALA A 197
MET A 165
LEU A  37
HIS A 146
 None
 1.19A 1pcgA-5a21A:
undetectable		 1pcgA-5a21A:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d2e MLNE

(Bacillus
velezensis) 		PF08659
(KR) 		5 LEU A 475
ALA A 477
LEU A 481
ILE A 447
LEU A 285
 None
None
None
None
NAP  A 601 (-4.1A)
 1.21A 1pcgA-5d2eA:
undetectable		 1pcgA-5d2eA:
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.
5e59 FRNE PROTEIN

(Deinococcus
radiodurans) 		PF01323
(DSBA) 		5 LEU A 133
ALA A 135
GLU A 139
ILE A 116
HIS A 113
 None
 1.31A 1pcgA-5e59A:
undetectable		 1pcgA-5e59A:
22.30
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.
5e59 FRNE PROTEIN

(Deinococcus
radiodurans) 		PF01323
(DSBA) 		5 LEU A 133
ALA A 135
LEU A 152
ILE A 116
HIS A 113
 None
 1.16A 1pcgA-5e59A:
undetectable		 1pcgA-5e59A:
22.30
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.
5eog PROTEIN MAB-21-LIKE
1

(Homo sapiens) 		PF03281
(Mab-21) 		5 LEU A 269
LEU A 254
LEU A 277
ILE A 308
LEU A 345
 None
 1.30A 1pcgA-5eogA:
undetectable		 1pcgA-5eogA:
18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom)
PF11865
(DUF3385) 		5 LEU A2346
MET A2382
LEU A2383
ILE A2250
LEU A2302
 None
 1.30A 1pcgA-5h64A:
undetectable		 1pcgA-5h64A:
7.30
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
3
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4L
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
6

(Bos taurus) 		PF00420
(Oxidored_q2)
PF00499
(Oxidored_q3)
PF00507
(Oxidored_q4) 		5 ALA K  68
GLU K  34
LEU A  63
ILE A  69
LEU J 161
 None
 1.20A 1pcgA-5lc5K:
undetectable		 1pcgA-5lc5K:
23.90
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.
5mg5 HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Pseudomonas
protegens) 		no annotation 5 ALA A 275
LEU A 282
LEU A 281
ILE A 140
LEU A  58
 None
 1.28A 1pcgA-5mg5A:
undetectable		 1pcgA-5mg5A:
17.80
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.
5mji BRAMP DOMAIN PROTEIN

(Streptomyces
davaonensis) 		PF03358
(FMN_red) 		5 LEU A   8
ALA A 100
LEU A 104
LEU A 107
LEU A 129
 None
 1.29A 1pcgA-5mjiA:
undetectable		 1pcgA-5mjiA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 5 ALA A 277
LEU A 316
MET A 315
ILE A  26
LEU A 328
 None
None
None
None
CU  A1103 (-4.4A)
 1.34A 1pcgA-5n4lA:
undetectable		 1pcgA-5n4lA:
17.95
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.
5nkm PROTEIN SMG-8
PROTEIN SMG-9

(Caenorhabditis
elegans) 		PF10220
(Smg8_Smg9)
no annotation 		5 ALA D 185
LEU D 181
ILE E 172
HIS D 352
LEU D 351
 EDO  D 402 (-4.0A)
None
None
None
None
 1.30A 1pcgA-5nkmD:
undetectable		 1pcgA-5nkmD:
22.04
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.
5of4 TFIIH BASAL
TRANSCRIPTION FACTOR
COMPLEX HELICASE XPB
SUBUNIT,XPB,TFIIH
BASAL TRANSCRIPTION
FACTOR COMPLEX
HELICASE XPB SUBUNIT

(Homo sapiens) 		PF04851
(ResIII)
PF16203
(ERCC3_RAD25_C) 		5 LEU A 717
ALA A 719
LEU A 532
LEU A 533
ILE A 525
 None
 1.28A 1pcgA-5of4A:
undetectable		 1pcgA-5of4A:
20.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		10 LEU A 298
ALA A 302
GLU A 305
LEU A 339
MET A 340
LEU A 343
ARG A 346
ILE A 376
HIS A 475
LEU A 476
 EST  A 601 (-4.1A)
EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
EST  A 601 (-3.9A)
EST  A 601 ( 4.8A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
 0.42A 1pcgA-5toaA:
31.2		 1pcgA-5toaA:
59.67
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.
5ux2 ALDEHYDE
DECARBONYLASE

(Synechococcus
sp. RS9917) 		no annotation 5 LEU A 199
ALA A 203
GLU A 146
LEU A 106
LEU A 218
 None
 1.27A 1pcgA-5ux2A:
2.3		 1pcgA-5ux2A:
16.53
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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 ALA A 625
GLU A 626
LEU A 644
ILE A 637
LEU A 600
 None
 1.32A 1pcgA-5ux5A:
undetectable		 1pcgA-5ux5A:
12.92
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.
5vrd BIFUNCTIONAL
COENZYME PQQ
SYNTHESIS PROTEIN
C/D

(Methylobacterium
extorquens) 		no annotation 5 ALA D 153
LEU D 156
ARG D  91
HIS D  19
LEU D  22
 None
 1.27A 1pcgA-5vrdD:
2.1		 1pcgA-5vrdD:
14.60
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.
5vws CYTOCHROME P450

(Thermobispora
bispora) 		PF00067
(p450) 		5 ALA A 178
GLU A 181
LEU A 150
HIS A 232
LEU A 229
 None
 1.22A 1pcgA-5vwsA:
undetectable		 1pcgA-5vwsA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 5 LEU A 667
GLU A 699
LEU A 797
ILE A 645
HIS A 561
 None
 1.33A 1pcgA-6fikA:
undetectable		 1pcgA-6fikA:
18.52