SIMILAR PATTERNS OF AMINO ACIDS FOR 4PCL_A_SAMA301

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.
1eep INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE

(Borreliella
burgdorferi) 		PF00478
(IMPDH) 		5 LEU A 356
GLY A  69
PHE A  45
ASP A 167
ALA A  59
 None
 1.11A 4pclA-1eepA:
2.1		 4pclA-1eepA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ezw COENZYME
F420-DEPENDENT
N5,N10-METHYLENETETR
AHYDROMETHANOPTERIN
REDUCTASE

(Methanopyrus
kandleri) 		PF00296
(Bac_luciferase) 		5 GLN A 178
GLY A 255
ASP A 258
GLU A 272
ALA A 275
 None
 1.11A 4pclA-1ezwA:
2.1		 4pclA-1ezwA:
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.
1gdh D-GLYCERATE
DEHYDROGENASE

(Hyphomicrobium
methylovorum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ALA A  14
LEU A  11
GLU A 107
ALA A 104
ALA A 295
 None
 1.21A 4pclA-1gdhA:
7.5		 4pclA-1gdhA:
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.
1h4p GLUCAN
1,3-BETA-GLUCOSIDASE
I/II

(Saccharomyces
cerevisiae) 		PF00150
(Cellulase) 		5 GLN A 152
GLY A  60
ASP A 173
GLU A 334
TYR A  67
 None
None
None
GOL  A1450 ( 4.1A)
GOL  A1450 (-4.6A)
 1.13A 4pclA-1h4pA:
undetectable		 4pclA-1h4pA:
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.
1h4p GLUCAN
1,3-BETA-GLUCOSIDASE
I/II

(Saccharomyces
cerevisiae) 		PF00150
(Cellulase) 		5 LEU A 106
GLY A  60
ASP A 173
GLU A 334
TYR A  67
 None
None
None
GOL  A1450 ( 4.1A)
GOL  A1450 (-4.6A)
 1.21A 4pclA-1h4pA:
undetectable		 4pclA-1h4pA:
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.
1h54 MALTOSE
PHOSPHORYLASE

(Lactobacillus
brevis) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 GLN A 328
LEU A 329
GLY A 321
ALA A 655
TYR A 651
 None
 1.13A 4pclA-1h54A:
undetectable		 4pclA-1h54A:
15.23
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.
1iwl OUTER-MEMBRANE
LIPOPROTEINS CARRIER
PROTEIN

(Escherichia
coli) 		PF03548
(LolA) 		5 ALA A 142
LEU A 115
GLY A  86
ASN A 123
ALA A  84
 None
 0.86A 4pclA-1iwlA:
undetectable		 4pclA-1iwlA:
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.
1jji CARBOXYLESTERASE

(Archaeoglobus
fulgidus) 		PF07859
(Abhydrolase_3) 		5 ALA A 168
CYH A 133
ASP A 135
GLU A 142
ALA A 141
 None
 1.15A 4pclA-1jjiA:
3.1		 4pclA-1jjiA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jsw L-ASPARTATE
AMMONIA-LYASE

(Escherichia
coli) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 ALA A 396
LEU A 301
GLY A 201
ASP A 183
ALA A 178
 None
 1.23A 4pclA-1jswA:
undetectable		 4pclA-1jswA:
20.84
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.
1mlz 7,8-DIAMINO-PELARGON
IC ACID
AMINOTRANSFERASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		5 LEU A 173
GLY A 193
PHE A 174
GLU A 188
ALA A 195
 None
 1.20A 4pclA-1mlzA:
3.4		 4pclA-1mlzA:
20.69
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.
1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN

(Oligotropha
carboxidovorans) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ALA B 368
LEU B 320
GLY B 361
CYH B 359
TYR B 443
 None
 1.14A 4pclA-1n60B:
undetectable		 4pclA-1n60B:
14.89
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.
1npy HYPOTHETICAL
SHIKIMATE
5-DEHYDROGENASE-LIKE
PROTEIN HI0607

(Haemophilus
influenzae) 		PF08501
(Shikimate_dh_N) 		5 LEU A  97
ASP A 103
ASN A 101
ALA A  61
TYR A  37
 None
 1.08A 4pclA-1npyA:
5.8		 4pclA-1npyA:
23.88
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.
1nyt SHIKIMATE
5-DEHYDROGENASE

(Escherichia
coli) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 ALA A  68
LEU A  96
ASP A 102
ASN A 100
TYR A  33
 None
None
DTV  A1405 ( 2.9A)
None
None
 0.84A 4pclA-1nytA:
5.6		 4pclA-1nytA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		5 GLY A  87
ASN A 113
ALA A 140
ALA A 164
TYR A 172
 SAH  A 301 (-3.4A)
None
SAH  A 301 (-3.9A)
SAH  A 301 ( 3.7A)
None
 0.95A 4pclA-1susA:
26.6		 4pclA-1susA:
25.60
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.
1tuf DIAMINOPIMELATE
DECARBOXYLASE

(Methanocaldococcus
jannaschii) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ALA A 206
LEU A 211
GLY A 220
GLU A 304
ALA A 170
 None
None
None
LLP  A  83 ( 3.6A)
None
 1.07A 4pclA-1tufA:
undetectable		 4pclA-1tufA:
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.
1u7g PROBABLE AMMONIUM
TRANSPORTER

(Escherichia
coli) 		PF00909
(Ammonium_transp) 		5 ALA A 237
GLY A 277
PHE A 332
ALA A 220
ALA A 230
 None
 0.79A 4pclA-1u7gA:
undetectable		 4pclA-1u7gA:
21.26
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.
1ukc ESTA

(Aspergillus
niger) 		PF00135
(COesterase) 		5 ALA A 186
LEU A 102
PHE A 103
ALA A 211
TYR A 129
 None
None
None
EDO  A1902 (-4.0A)
None
 1.06A 4pclA-1ukcA:
undetectable		 4pclA-1ukcA:
17.79
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.
1vz8 ORNITHINE
ACETYL-TRANSFERASE

(Streptomyces
clavuligerus) 		PF01960
(ArgJ) 		5 ALA A 211
GLY A 377
ASN A 288
ALA A 262
ALA A 256
 None
 1.20A 4pclA-1vz8A:
undetectable		 4pclA-1vz8A:
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.
1wxd SHIKIMATE
5-DEHYDROGENASE

(Thermus
thermophilus) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 ALA A  67
LEU A  94
ASP A 100
ASN A  98
TYR A  33
 None
 0.93A 4pclA-1wxdA:
4.9		 4pclA-1wxdA:
21.72
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.
1yt8 THIOSULFATE
SULFURTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00581
(Rhodanese) 		5 ALA A 339
GLY A 307
ASP A 287
GLU A 293
ALA A 172
 None
 1.18A 4pclA-1yt8A:
undetectable		 4pclA-1yt8A:
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.
1yts YERSINIA PROTEIN
TYROSINE PHOSPHATASE

(Yersinia
enterocolitica) 		PF00102
(Y_phosphatase) 		5 GLN A 435
GLY A 415
ASP A 421
ASN A 424
ALA A 369
 None
 1.14A 4pclA-1ytsA:
undetectable		 4pclA-1ytsA:
22.11
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.
1z26 ARGONAUTE

(Pyrococcus
furiosus) 		PF02171
(Piwi)
PF12212
(PAZ_siRNAbind) 		5 GLY A 674
ASP A  86
ASN A  85
ALA A 676
TYR A 678
 None
 1.17A 4pclA-1z26A:
undetectable		 4pclA-1z26A:
14.66
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.
1zyl HYPOTHETICAL PROTEIN
YIHE

(Escherichia
coli) 		PF01636
(APH) 		5 GLN A 244
LEU A 245
GLY A 126
ASP A 120
ALA A 251
 None
 1.16A 4pclA-1zylA:
undetectable		 4pclA-1zylA:
23.03
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.
2d3i OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		5 ALA A 245
GLU A  80
ALA A  79
ALA A 248
TYR A 319
 None
 1.15A 4pclA-2d3iA:
undetectable		 4pclA-2d3iA:
14.45
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.
2inp PHENOL HYDROXYLASE
COMPONENT PHN

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		5 ALA A 193
LEU A 191
GLY A 114
ASP A 180
ALA A 111
 None
 1.18A 4pclA-2inpA:
undetectable		 4pclA-2inpA:
17.70
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.
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 ALA X 555
GLY X 320
ALA X 291
ALA X 316
TYR X 285
 None
 1.04A 4pclA-2iv2X:
2.4		 4pclA-2iv2X:
15.42
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.
2ki7 RIBONUCLEASE P
PROTEIN COMPONENT 4

(Pyrococcus
furiosus) 		PF04032
(Rpr2) 		5 ALA B  50
ASP B  19
GLU B  26
ALA B  25
ALA B  43
 None
 0.95A 4pclA-2ki7B:
undetectable		 4pclA-2ki7B:
17.49
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.
2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE

(Arabidopsis
thaliana) 		PF01487
(DHquinase_I)
PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 ALA A 388
LEU A 417
ASP A 423
ASN A 421
TYR A 355
 None
CSO  A 391 ( 4.6A)
DHK  A4733 (-2.8A)
CSO  A 424 ( 4.2A)
None
 0.87A 4pclA-2o7qA:
5.0		 4pclA-2o7qA:
18.65
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.
2po4 VIRION RNA
POLYMERASE

(Escherichia
virus N4) 		no annotation 5 GLN A 469
LEU A 471
ASN A 954
ALA A 442
TYR A 350
 None
 1.15A 4pclA-2po4A:
undetectable		 4pclA-2po4A:
12.19
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.
2r4j AEROBIC
GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF01266
(DAO)
PF16901
(DAO_C) 		5 ALA A 154
LEU A  37
GLY A  17
GLU A 363
ALA A  20
 None
 1.15A 4pclA-2r4jA:
3.6		 4pclA-2r4jA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2var FRUCTOKINASE

(Sulfolobus
solfataricus) 		PF00294
(PfkB) 		5 ALA A   6
LEU A 131
GLY A 262
ALA A 284
ALA A  42
 None
 1.19A 4pclA-2varA:
4.7		 4pclA-2varA:
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.
2vgi PYRUVATE KINASE
ISOZYMES R/L

(Homo sapiens) 		PF00224
(PK)
PF02887
(PK_C) 		5 ALA A 481
GLN A 482
GLY A 511
CYH A 509
ALA A  85
 None
 1.09A 4pclA-2vgiA:
4.3		 4pclA-2vgiA:
18.32
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.
2xa7 ADAPTOR-RELATED
PROTEIN COMPLEX 2,
ALPHA 2 SUBUNIT

(Rattus
norvegicus) 		PF01602
(Adaptin_N) 		5 LEU A 526
GLY A 508
PHE A 523
ASP A 514
ALA A 480
 None
 1.22A 4pclA-2xa7A:
undetectable		 4pclA-2xa7A:
17.18
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.
3aam ENDONUCLEASE IV

(Thermus
thermophilus) 		PF01261
(AP_endonuc_2) 		5 GLY A   5
ASP A 256
ASN A 259
GLU A  22
ALA A  23
 None
 1.22A 4pclA-3aamA:
3.4		 4pclA-3aamA:
21.15
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.
3all 2-METHYL-3-HYDROXYPY
RIDINE-5-CARBOXYLIC
ACID OXYGENASE

(Mesorhizobium
japonicum) 		PF01494
(FAD_binding_3) 		5 ALA A  48
LEU A  46
GLY A  23
ASP A 288
ALA A 308
 None
None
None
FAD  A 380 (-3.1A)
None
 1.04A 4pclA-3allA:
3.0		 4pclA-3allA:
20.25
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.
3b3l KETOHEXOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 ALA A  64
GLY A  61
ASP A 119
GLU A 139
ALA A  43
 None
 1.15A 4pclA-3b3lA:
5.1		 4pclA-3b3lA:
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.
3b8a HEXOKINASE-1

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 LEU X 313
GLY X 389
CYH X 385
GLU X 429
ALA X 430
 None
 0.99A 4pclA-3b8aX:
undetectable		 4pclA-3b8aX:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		5 GLY A  78
ASP A 104
ALA A 131
ALA A 155
TYR A 163
 SAH  A 464 (-3.7A)
None
SAH  A 464 (-3.5A)
SAH  A 464 (-3.7A)
None
 0.84A 4pclA-3c3yA:
28.5		 4pclA-3c3yA:
27.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cbg O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF01596
(Methyltransf_3) 		6 GLN A  43
GLY A  68
ASP A  94
ALA A 121
ALA A 144
TYR A 152
 SAH  A 301 (-4.4A)
SAH  A 301 (-3.7A)
None
SAH  A 301 (-3.4A)
SAH  A 301 (-3.4A)
None
 0.81A 4pclA-3cbgA:
27.8		 4pclA-3cbgA:
33.20
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.
3ee4 PROBABLE
RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Mycobacterium
tuberculosis) 		PF00268
(Ribonuc_red_sm) 		5 ALA A 238
GLY A 168
GLU A 101
ALA A 171
TYR A 175
 None
None
FE  A 317 (-2.5A)
MYR  A 315 ( 3.9A)
None
 1.17A 4pclA-3ee4A:
undetectable		 4pclA-3ee4A:
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.
3g05 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Escherichia
coli) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 ALA A  26
GLN A  30
GLY A 388
ALA A 368
ALA A  21
 None
 0.96A 4pclA-3g05A:
2.4		 4pclA-3g05A:
17.74
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.
3grh ACYL-COA THIOESTER
HYDROLASE YBGC

(Escherichia
coli) 		PF01095
(Pectinesterase) 		5 ALA A 202
GLN A 223
GLY A 254
ASP A 193
TYR A 251
 None
 1.14A 4pclA-3grhA:
undetectable		 4pclA-3grhA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i6d PROTOPORPHYRINOGEN
OXIDASE

(Bacillus
subtilis) 		PF01593
(Amino_oxidase) 		5 GLY A 457
PHE A  22
ASP A 452
GLU A 446
ALA A 459
 None
 1.14A 4pclA-3i6dA:
undetectable		 4pclA-3i6dA:
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.
3mq4 METABOTROPIC
GLUTAMATE RECEPTOR 7

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 ALA A 282
LEU A 216
GLY A 332
ALA A 333
TYR A 492
 None
 1.17A 4pclA-3mq4A:
2.8		 4pclA-3mq4A:
18.90
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.
3msq PUTATIVE UBIQUINONE
BIOSYNTHESIS PROTEIN

(Nostoc
punctiforme) 		PF05019
(Coq4) 		5 ALA A 178
GLY A 143
ASP A 135
ASN A 137
ALA A 132
 None
 1.17A 4pclA-3msqA:
undetectable		 4pclA-3msqA:
24.30
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.
3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC) 		5 ALA A1554
GLY A1150
ASN A1180
GLU A1168
ALA A1579
 None
SAH  A1601 (-3.6A)
None
SAH  A1601 (-3.0A)
SAH  A1601 (-4.7A)
 1.19A 4pclA-3ptaA:
9.2		 4pclA-3ptaA:
11.15
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.
3skp SEROTRANSFERRIN

(Homo sapiens) 		PF00405
(Transferrin) 		5 ALA A 428
GLY A 425
GLU A 410
ALA A 409
TYR A 650
 None
 1.10A 4pclA-3skpA:
undetectable		 4pclA-3skpA:
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.
3tfw PUTATIVE
O-METHYLTRANSFERASE

(Klebsiella
pneumoniae) 		PF01596
(Methyltransf_3) 		5 GLY A  69
ASP A  95
ALA A 122
ALA A 142
TYR A 150
 None
 0.64A 4pclA-3tfwA:
28.1		 4pclA-3tfwA:
29.20
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.
3thc BETA-GALACTOSIDASE

(Homo sapiens) 		PF01301
(Glyco_hydro_35)
PF13364
(BetaGal_dom4_5) 		5 ALA A 315
GLN A 580
LEU A 588
GLY A 585
ASP A 518
 EDO  A1102 (-3.3A)
None
None
None
None
 1.11A 4pclA-3thcA:
2.0		 4pclA-3thcA:
16.87
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.
3tr6 O-METHYLTRANSFERASE

(Coxiella
burnetii) 		PF01596
(Methyltransf_3) 		5 GLN A  44
GLY A  69
ALA A 122
ALA A 145
TYR A 153
 None
SAH  A 224 (-3.9A)
SAH  A 224 (-3.8A)
SAH  A 224 (-3.5A)
None
 0.57A 4pclA-3tr6A:
28.7		 4pclA-3tr6A:
28.33
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.
3tr6 O-METHYLTRANSFERASE

(Coxiella
burnetii) 		PF01596
(Methyltransf_3) 		5 GLN A  44
GLY A  69
ASP A  95
ALA A 145
TYR A 153
 None
SAH  A 224 (-3.9A)
None
SAH  A 224 (-3.5A)
None
 0.81A 4pclA-3tr6A:
28.7		 4pclA-3tr6A:
28.33
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.
3ty6 ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Bacillus
anthracis) 		PF00227
(Proteasome) 		5 LEU A 161
GLY A 130
GLU A  99
ALA A 100
ALA A   6
 None
 1.20A 4pclA-3ty6A:
undetectable		 4pclA-3ty6A:
20.83
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.
3tz6 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 GLN A  13
GLY A   9
GLU A  58
ALA A  57
ALA A  72
 SO4  A 406 (-4.2A)
None
None
None
None
 1.19A 4pclA-3tz6A:
5.1		 4pclA-3tz6A:
19.25
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.
3u66 PUTATIVE TYPE VI
SECRETION PROTEIN

(Escherichia
coli) 		PF09850
(DotU) 		5 GLN A  22
LEU A  23
GLY A  16
GLU A  49
ALA A  46
 None
 1.05A 4pclA-3u66A:
undetectable		 4pclA-3u66A:
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.
3uhj PROBABLE GLYCEROL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00465
(Fe-ADH) 		5 ALA A 277
LEU A 304
GLY A 192
PHE A 301
ALA A 194
 None
 1.01A 4pclA-3uhjA:
3.5		 4pclA-3uhjA:
20.65
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.
3zk4 DIPHOSPHONUCLEOTIDE
PHOSPHATASE 1

(Lupinus luteus) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		5 ALA A 434
GLY A 271
PHE A 309
ALA A 517
TYR A 316
 None
None
None
FE  A 800 ( 4.3A)
FE  A 800 ( 4.3A)
 0.97A 4pclA-3zk4A:
undetectable		 4pclA-3zk4A:
18.63
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.
4bof ARGININE DEIMINASE

(Streptococcus
pyogenes) 		PF02274
(Amidinotransf) 		5 GLN A 349
GLY A 398
ASN A 370
GLU A  53
TYR A 162
 None
 1.17A 4pclA-4bofA:
undetectable		 4pclA-4bofA:
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.
4eht ACTIVATOR OF
2-HYDROXYISOCAPROYL-
COA DEHYDRATASE

(Clostridioides
difficile) 		PF01869
(BcrAD_BadFG) 		5 ALA A  26
LEU A 242
GLY A   5
ALA A  73
TYR A  70
 None
CL  A 306 ( 4.7A)
None
None
None
 1.07A 4pclA-4ehtA:
undetectable		 4pclA-4ehtA:
21.25
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.
4f0q RESTRICTION
ENDONUCLEASE

(Mycobacterium
sp. JLS) 		PF04471
(Mrr_cat) 		5 ALA A 284
GLN A 287
LEU A 289
GLY A 412
ALA A 416
 None
 1.22A 4pclA-4f0qA:
undetectable		 4pclA-4f0qA:
18.45
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.
4g9b BETA-PHOSPHOGLUCOMUT
ASE

(Escherichia
coli) 		PF13419
(HAD_2) 		5 ALA A 126
LEU A 130
PHE A 133
ALA A 140
ALA A 121
 SO4  A 306 ( 4.9A)
None
None
None
None
 1.14A 4pclA-4g9bA:
undetectable		 4pclA-4g9bA:
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.
4hns CHEMOTAXIS PROTEIN
CHEY

(Vibrio cholerae) 		PF00072
(Response_reg) 		5 PHE A  54
ASP A  70
GLU A 100
ALA A 101
TYR A 109
 None
 1.09A 4pclA-4hnsA:
2.6		 4pclA-4hnsA:
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.
4k3c OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

([Haemophilus]
ducreyi) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		5 ALA A 498
GLY A 654
ASP A 780
ALA A 723
ALA A 653
 None
 1.06A 4pclA-4k3cA:
undetectable		 4pclA-4k3cA:
17.33
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.
4mif PYRANOSE 2-OXIDASE

(Phanerochaete
chrysosporium) 		PF05199
(GMC_oxred_C) 		5 ALA A 336
LEU A 341
GLY A 584
ALA A 605
ALA A 331
 FDA  A 801 (-3.4A)
None
None
None
None
 1.18A 4pclA-4mifA:
3.0		 4pclA-4mifA:
16.11
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.
4nf1 ACETYLGLUTAMATE
KINASE

(Xylella
fastidiosa) 		PF04768
(NAT) 		5 LEU A 353
GLY A 368
GLU A 365
ALA A 362
ALA A 340
 NLG  A 501 (-4.6A)
CL  A 503 (-3.5A)
None
None
None
 1.20A 4pclA-4nf1A:
undetectable		 4pclA-4nf1A:
18.26
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.
4ng2 UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 ALA E  51
GLN E  90
GLU E  63
ALA E  62
ALA E  97
 None
 1.23A 4pclA-4ng2E:
undetectable		 4pclA-4ng2E:
22.37
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.
4nsp ENDONUCLEASE V

(Homo sapiens) 		PF04493
(Endonuclease_5) 		5 LEU A 193
GLY A 137
ASP A 126
GLU A 100
ALA A  97
 None
 1.16A 4pclA-4nspA:
undetectable		 4pclA-4nspA:
20.30
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.
4o48 UNCHARACTERIZED
PROTEIN

(Cavia porcellus) 		PF01112
(Asparaginase_2) 		5 ALA A  91
LEU A 104
GLY A 119
PHE A 125
ALA A  94
 None
 1.05A 4pclA-4o48A:
undetectable		 4pclA-4o48A:
24.85
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.
4obu PYRIDOXAL-DEPENDENT
DECARBOXYLASE DOMAIN
PROTEIN

([Ruminococcus]
gnavus) 		no annotation 5 GLN E 190
GLY E 247
PHE E 218
ALA E 279
ALA E 246
 None
 1.17A 4pclA-4obuE:
4.0		 4pclA-4obuE:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4omu SHIKIMATE
DEHYDROGENASE

(Pseudomonas
putida) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 ALA A  67
LEU A  95
ASP A 101
ASN A  99
TYR A  33
 None
 0.92A 4pclA-4omuA:
6.5		 4pclA-4omuA:
21.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		12 ALA A  38
GLN A  39
LEU A  40
GLY A  64
CYH A  66
PHE A  69
ASP A  90
ASN A  93
GLU A 116
ALA A 117
ALA A 137
TYR A 145
 SAM  A 301 (-3.9A)
SAM  A 301 (-4.9A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.2A)
None
SAM  A 301 (-4.1A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.3A)
SAM  A 301 ( 3.9A)
None
 0.00A 4pclA-4pclA:
42.7		 4pclA-4pclA:
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.
4pj3 INTRON-BINDING
PROTEIN AQUARIUS

(Homo sapiens) 		PF13086
(AAA_11)
PF13087
(AAA_12)
PF16399
(Aquarius_N) 		5 ALA A 537
GLY A 594
PHE A 628
ASP A 637
GLU A 430
 None
 1.19A 4pclA-4pj3A:
3.3		 4pclA-4pj3A:
8.95
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.
4puc SUSD HOMOLOG

(Bacteroides
uniformis) 		PF12741
(SusD-like) 		5 ALA A  65
GLN A  66
GLY A  73
CYH A  70
ALA A 457
 None
 1.08A 4pclA-4pucA:
undetectable		 4pclA-4pucA:
18.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rl6 SACCHAROPINE
DEHYDROGENASE

(Streptococcus
pneumoniae) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 LEU A 393
GLY A 386
GLU A 150
ALA A 151
ALA A 385
 None
 1.16A 4pclA-4rl6A:
6.8		 4pclA-4rl6A:
18.98
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.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides) 		PF02324
(Glyco_hydro_70) 		5 GLN A1942
LEU A1941
GLY A1907
ASP A1925
ALA A1906
 GLC  A3005 (-3.4A)
None
None
None
None
 1.17A 4pclA-4tvcA:
undetectable		 4pclA-4tvcA:
11.45
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.
4y7o TYPE VI SECRETION
SYSTEM PROTEIN VASD

(Escherichia
coli) 		PF12790
(T6SS-SciN) 		5 LEU C 132
GLY C 108
ASP C  61
ASN C  57
ALA C 110
 None
 1.18A 4pclA-4y7oC:
undetectable		 4pclA-4y7oC:
22.36
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.
4yry DIHYDROPYRIMIDINE
DEHYDROGENASE
SUBUNIT A

(Thermotoga
maritima) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ALA B 155
GLY B 432
PHE B 429
ALA B 439
ALA B 444
 None
FAD  B 503 (-3.2A)
None
FAD  B 503 (-4.5A)
FAD  B 503 (-3.2A)
 1.20A 4pclA-4yryB:
3.6		 4pclA-4yryB:
17.74
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.
4z2a FURIN

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 ALA A 369
GLY A 200
ASP A 355
GLU A 157
ALA A 199
 None
 1.10A 4pclA-4z2aA:
undetectable		 4pclA-4z2aA:
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.
5awp ISOMALTODEXTRANASE

(Arthrobacter
globiformis) 		no annotation 5 ALA A 503
GLN A 502
LEU A 501
GLY A 481
ALA A 508
 None
BGC  A 703 (-2.6A)
None
None
None
 1.17A 4pclA-5awpA:
undetectable		 4pclA-5awpA:
16.00
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.
5ck3 PUTATIVE SIGNAL
RECOGNITION PARTICLE
PROTEIN

(Chaetomium
thermophilum) 		PF09439
(SRPRB) 		5 ALA B 249
GLY B 335
ASP B 253
ALA B 336
TYR B 128
 None
None
GTP  B 402 (-3.3A)
None
None
 1.16A 4pclA-5ck3B:
2.2		 4pclA-5ck3B:
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.
5e72 N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE

(Thermococcus
kodakarensis) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 LEU A 231
GLY A 191
ASP A 254
ALA A 154
ALA A 190
 None
 1.17A 4pclA-5e72A:
15.8		 4pclA-5e72A:
21.22
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.
5fcl CRISPR-ASSOCIATED
ENDONUCLEASE CAS1

(Pectobacterium
atrosepticum) 		PF01867
(Cas_Cas1) 		5 ALA A 300
LEU A 298
GLY A 230
ALA A 234
TYR A 235
 None
 1.16A 4pclA-5fclA:
undetectable		 4pclA-5fclA:
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.
5fmf DNA REPAIR HELICASE
RAD25, SSL2

(Saccharomyces
cerevisiae) 		PF04851
(ResIII)
PF16203
(ERCC3_RAD25_C) 		5 ALA 1 509
GLY 1 451
PHE 1 476
ASP 1 353
ALA 1 400
 None
 1.09A 4pclA-5fmf1:
3.4		 4pclA-5fmf1:
18.42
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.
5gvx TREHALOSE-PHOSPHATE
PHOSPHATASE

(Mycobacterium
tuberculosis) 		PF02358
(Trehalose_PPase) 		5 LEU A 152
GLY A 329
PHE A 148
ASP A 355
ALA A 362
 None
 0.99A 4pclA-5gvxA:
3.1		 4pclA-5gvxA:
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.
5hjl TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE

(Streptococcus
porcinus) 		PF01791
(DeoC) 		5 ALA A 253
GLN A 254
LEU A 255
ASP A 312
ALA A 318
 None
 1.10A 4pclA-5hjlA:
undetectable		 4pclA-5hjlA:
20.87
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.
5jd4 LAE6

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 ALA A  59
ASP A 143
ASN A 144
ALA A 137
TYR A  86
 None
 0.88A 4pclA-5jd4A:
3.2		 4pclA-5jd4A:
22.85
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 GLY A 101
ASN A 127
ALA A 154
ALA A 178
TYR A 186
 SAM  A 301 (-3.4A)
None
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
None
 0.95A 4pclA-5kvaA:
27.3		 4pclA-5kvaA:
27.82
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.
5l46 DIMETHYLGLYCINE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		5 ALA A 394
LEU A 427
GLY A 400
ALA A 404
TYR A 116
 None
None
FAD  A 901 (-3.2A)
None
None
 1.14A 4pclA-5l46A:
3.2		 4pclA-5l46A:
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.
5l6s GLUCOSE-1-PHOSPHATE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF00483
(NTP_transferase) 		5 PHE A 240
ASP A 276
GLU A 174
ALA A 175
ALA A 211
 None
 1.17A 4pclA-5l6sA:
2.9		 4pclA-5l6sA:
20.66
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.
5mfb YIII(DQ)4CQI

(synthetic
construct) 		PF00514
(Arm) 		5 ALA A 166
LEU A 175
ASN A 240
GLU A 194
ALA A 159
 None
 1.14A 4pclA-5mfbA:
undetectable		 4pclA-5mfbA:
23.41
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.
5n4w CULLIN-2

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		5 GLY A 140
ASN A 109
ALA A  98
ALA A 143
TYR A  94
 None
 1.20A 4pclA-5n4wA:
undetectable		 4pclA-5n4wA:
15.83
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.
5noa FAMILY 88 GLYCOSYL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF07470
(Glyco_hydro_88) 		5 ALA A 368
LEU A 324
GLY A 362
ASN A  41
TYR A 163
 None
 1.20A 4pclA-5noaA:
undetectable		 4pclA-5noaA:
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.
5nof ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Thermococcus
kodakarensis) 		no annotation 5 ALA A  61
LEU A 152
ASN A 176
ALA A 199
ALA A  54
 None
 1.17A 4pclA-5nofA:
2.5		 4pclA-5nofA:
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.
5nz7 CELLODEXTRIN
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 LEU A 203
GLY A 389
CYH A 372
ASN A 373
ALA A 390
 None
 1.14A 4pclA-5nz7A:
undetectable		 4pclA-5nz7A:
12.59
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.
5okt CASEIN KINASE I
ISOFORM DELTA

(Homo sapiens) 		no annotation 5 GLY C 175
ASP C 132
ASN C 133
ALA C 177
TYR C 225
 GOL  C 309 ( 4.9A)
None
None
None
None
 1.17A 4pclA-5oktC:
undetectable		 4pclA-5oktC:
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.
5opt ACTIVATED PROTEIN
KINASE C RECEPTOR,
PUTATIVE

(Trypanosoma
cruzi) 		no annotation 5 LEU p  91
CYH p 101
GLU p  60
ALA p  42
ALA p  82
 None
 1.21A 4pclA-5optp:
undetectable		 4pclA-5optp:
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.
5t8t S-ADENOSYLMETHIONINE
SYNTHASE

(Neisseria
gonorrhoeae) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 ALA A  30
LEU A  32
GLY A 357
GLU A  13
ALA A 361
 None
 1.16A 4pclA-5t8tA:
undetectable		 4pclA-5t8tA:
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.
5uth THIOREDOXIN
REDUCTASE

(Mycolicibacterium
smegmatis) 		PF07992
(Pyr_redox_2) 		5 ALA A  44
GLY A  19
PHE A  41
ALA A 299
ALA A  18
 FAD  A 400 (-3.2A)
None
None
None
FAD  A 400 (-3.3A)
 1.23A 4pclA-5uthA:
3.4		 4pclA-5uthA:
24.46
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.
5wy4 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		no annotation 5 ALA A 117
LEU A  73
PHE A 125
ALA A 137
TYR A 199
 None
 1.17A 4pclA-5wy4A:
undetectable		 4pclA-5wy4A:
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.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		5 ALA A  39
GLY A  66
ALA A 120
ALA A 139
TYR A 147
 SAM  A 301 ( 4.5A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.5A)
None
 0.98A 4pclA-5x7fA:
26.7		 4pclA-5x7fA:
25.62
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.
5xyi 40S RIBOSOMAL
PROTEIN SA
UNCHARACTERIZED
PROTEIN
40S RIBOSOMAL
PROTEIN S21

(Trichomonas
vaginalis;
Trichomonas
vaginalis;
Trichomonas
vaginalis) 		PF00318
(Ribosomal_S2)
PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C)
PF01249
(Ribosomal_S21e) 		5 ALA C  74
GLY V  56
ALA V  60
ALA V  30
TYR A 154
 None
None
G  2 891 ( 3.6A)
None
None
 1.20A 4pclA-5xyiC:
undetectable		 4pclA-5xyiC:
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.
1d7w MYELOPEROXIDASE
MYELOPEROXIDASE

(Homo sapiens;
Homo sapiens) 		PF03098
(An_peroxidase)
PF03098
(An_peroxidase) 		4 SER C 425
GLU A  36
ASP C 475
ASN C 472
 None
 1.34A 4pclA-1d7wC:
undetectable		 4pclA-1d7wC:
17.54
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.
1l5a AMIDE SYNTHASE

(Vibrio cholerae) 		PF00668
(Condensation) 		4 SER A 174
GLU A 168
ASP A 180
ASN A 277
 None
 1.22A 4pclA-1l5aA:
0.0		 4pclA-1l5aA:
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.
1ogo DEXTRANASE

(Talaromyces
minioluteus) 		PF03718
(Glyco_hydro_49)
PF17433
(Glyco_hydro_49N) 		4 SER X 460
GLU X 449
LYS X 447
ASP X 418
 None
BGC  X1575 (-3.1A)
BGC  X1575 (-2.9A)
GLC  X1576 (-4.1A)
 1.26A 4pclA-1ogoX:
undetectable		 4pclA-1ogoX:
17.06
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.
1s6r BETA-LACTAMASE

(Enterobacter
cloacae) 		PF00144
(Beta-lactamase) 		4 SER A 264
GLU A 272
LYS A 315
ASN A 346
 None
None
IAP  A   1 ( 4.9A)
None
 1.43A 4pclA-1s6rA:
undetectable		 4pclA-1s6rA:
22.87
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.
1uli BIPHENYL DIOXYGENASE
LARGE SUBUNIT
BIPHENYL DIOXYGENASE
SMALL SUBUNIT

(Rhodococcus
jostii;
Rhodococcus
jostii) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
PF00866
(Ring_hydroxyl_B) 		4 SER B 176
GLU A 341
ASP A 109
ASN A  74
 None
 1.34A 4pclA-1uliB:
undetectable		 4pclA-1uliB:
22.36
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.
1xzw PURPLE ACID
PHOSPHATASE

(Ipomoea batatas) 		PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N) 		4 SER A 141
LYS A   1
ASP A   8
ASN A   3
 None
 1.45A 4pclA-1xzwA:
0.0		 4pclA-1xzwA:
17.67
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.
2x98 ALKALINE PHOSPHATASE

(Halobacterium
salinarum) 		PF00245
(Alk_phosphatase) 		4 SER A 375
GLU A 317
ASP A 257
ASN A 272
 None
 1.40A 4pclA-2x98A:
3.4		 4pclA-2x98A:
19.27
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.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 SER A 116
GLU A  59
LYS A  60
ASP A 123
 None
 1.06A 4pclA-2zsuA:
13.0		 4pclA-2zsuA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gdz ARGINYL-TRNA
SYNTHETASE

(Klebsiella
pneumoniae) 		PF03485
(Arg_tRNA_synt_N) 		4 SER A  31
GLU A  76
ASP A  38
ASN A  73
 None
None
None
EDO  A 109 ( 3.5A)
 1.25A 4pclA-3gdzA:
undetectable		 4pclA-3gdzA:
23.25
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.
3ux1 CAPSID PROTEIN VP1

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		4 SER A 424
LYS A 567
ASP A 611
ASN A 562
 None
 1.33A 4pclA-3ux1A:
undetectable		 4pclA-3ux1A:
16.89
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.
4haq GH7 FAMILY PROTEIN

(Limnoria
quadripunctata) 		PF00840
(Glyco_hydro_7) 		4 SER A  43
GLU A 139
ASP A  41
ASN A 142
 None
 1.48A 4pclA-4haqA:
undetectable		 4pclA-4haqA:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nsx U3 SMALL NUCLEOLAR
RNA-ASSOCIATED
PROTEIN 21

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		4 SER A 151
GLU A 107
LYS A 102
ASP A 147
 None
 1.44A 4pclA-4nsxA:
undetectable		 4pclA-4nsxA:
15.62
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.
4pav GLYOXALASE FAMILY
PROTEIN

(Staphylococcus
aureus) 		PF00903
(Glyoxalase) 		4 SER A  17
GLU A  52
LYS A  54
ASP A 116
 None
 1.48A 4pclA-4pavA:
1.8		 4pclA-4pavA:
20.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		5 SER A  70
GLU A  88
LYS A  89
ASP A 136
ASN A 138
 SAM  A 301 (-2.9A)
SAM  A 301 (-2.6A)
SAM  A 301 (-3.2A)
MN  A 303 ( 2.7A)
SAM  A 301 (-3.4A)
 0.00A 4pclA-4pclA:
42.7		 4pclA-4pclA:
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.
4phx PROTEIN AGGB

(Escherichia
coli) 		no annotation 4 SER B  74
GLU B 115
LYS B 133
ASN B  40
 None
 1.24A 4pclA-4phxB:
undetectable		 4pclA-4phxB:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		4 SER A  79
GLU A  98
ASP A 144
ASN A 146
 SAM  A1001 (-2.7A)
SAM  A1001 (-2.7A)
SAM  A1001 (-3.6A)
SAM  A1001 ( 3.5A)
 0.16A 4pclA-4ymgA:
25.9		 4pclA-4ymgA:
24.02
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.
4zgz ANTIZYME INHIBITOR 1
ORNITHINE
DECARBOXYLASE
ANTIZYME 1

(Homo sapiens;
Homo sapiens) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N)
PF02100
(ODC_AZ) 		4 SER B 191
GLU A  94
ASP A 387
ASN A  71
 None
 1.12A 4pclA-4zgzB:
undetectable		 4pclA-4zgzB:
18.58
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.
5h7c IMMUNOGLOBULIN
G-BINDING PROTEIN A,
DHR14

(Staphylococcus
aureus;
synthetic
construct) 		PF02216
(B) 		4 SER A  90
GLU A 135
LYS A 138
ASP A 129
 None
 1.45A 4pclA-5h7cA:
undetectable		 4pclA-5h7cA:
21.87
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.
5i98 FK506-BINDING
PROTEIN 1

(Candida
albicans) 		PF00254
(FKBP_C) 		4 SER A  43
GLU A 117
LYS A  86
ASP A  31
 None
 1.50A 4pclA-5i98A:
undetectable		 4pclA-5i98A:
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.
5j55 CAROTENOID OXYGENASE

(Novosphingobium
aromaticivorans) 		PF03055
(RPE65) 		4 SER A 234
GLU A 135
LYS A 134
ASN A  60
 None
V55  A 503 ( 3.3A)
V55  A 503 (-2.7A)
None
 1.46A 4pclA-5j55A:
undetectable		 4pclA-5j55A:
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.
5mqo NON-REDUCING END
BETA-L-ARABINOFURANO
SIDASE

(Bacteroides
thetaiotaomicron) 		PF07944
(Glyco_hydro_127) 		4 SER A  31
GLU A 397
ASP A  27
ASN A 471
 None
 1.48A 4pclA-5mqoA:
1.2		 4pclA-5mqoA:
16.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		4 SER A  71
GLU A  89
ASP A 139
ASN A 141
 SAM  A 306 (-2.2A)
SAM  A 306 (-2.4A)
SAM  A 306 (-2.3A)
SAM  A 306 ( 2.9A)
 0.21A 4pclA-5n5dA:
29.6		 4pclA-5n5dA:
31.12
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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 4 SER A 591
GLU A 202
ASP A 641
ASN A 638
 None
 1.33A 4pclA-6azpA:
0.3		 4pclA-6azpA:
undetectable