SIMILAR PATTERNS OF AMINO ACIDS FOR 3VYW_C_SAMC401

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.
1cjy PROTEIN (CYTOSOLIC
PHOSPHOLIPASE A2)

(Homo sapiens) 		PF00168
(C2)
PF01735
(PLA2_B) 		5 GLY A 551
LEU A 556
TYR A 558
ALA A 396
LEU A 421
 None
 1.14A 3vywC-1cjyA:
undetectable		 3vywC-1cjyA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ikp EXOTOXIN A

(Pseudomonas
aeruginosa) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		5 TYR A 439
LEU A 498
ALA A 425
PHE A 436
LEU A 429
 None
 1.13A 3vywC-1ikpA:
undetectable		 3vywC-1ikpA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ipa RNA 2'-O-RIBOSE
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		5 TYR A  65
GLY A  56
LEU A  96
GLY A  95
ASN A  58
 None
 1.11A 3vywC-1ipaA:
undetectable		 3vywC-1ipaA:
23.26
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.
1nd4 AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Klebsiella
pneumoniae) 		PF01636
(APH) 		5 HIS A 188
LEU A 212
GLY A 210
ALA A 144
LEU A 260
 None
 1.01A 3vywC-1nd4A:
undetectable		 3vywC-1nd4A:
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.
1ogy PERIPLASMIC NITRATE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		6 HIS A 151
GLY A 120
ASN A 457
ALA A 132
PHE A 397
LEU A 145
 MGD  A1803 ( 4.8A)
None
None
None
None
None
 0.83A 3vywC-1ogyA:
2.3		 3vywC-1ogyA:
17.77
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.
1p9w GENERAL SECRETION
PATHWAY PROTEIN E

(Vibrio cholerae) 		PF00437
(T2SSE) 		5 GLY A 386
LEU A 353
GLY A 258
ALA A 363
PHE A 249
 None
 0.94A 3vywC-1p9wA:
undetectable		 3vywC-1p9wA:
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.
1ru3 ACETYL-COA SYNTHASE

(Carboxydothermus
hydrogenoformans) 		PF03598
(CdhC) 		5 HIS A 723
LEU A 611
GLY A 613
ALA A 603
LEU A 677
 None
 0.95A 3vywC-1ru3A:
3.3		 3vywC-1ru3A:
16.73
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.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 GLY A 355
GLY A 359
TYR A 360
ALA A 100
LEU A 856
 EDO  A9008 (-3.5A)
None
None
None
None
 1.16A 3vywC-1xc6A:
undetectable		 3vywC-1xc6A:
15.02
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.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 TYR A 363
GLY A 355
GLY A 359
TYR A 360
ALA A 100
 None
EDO  A9008 (-3.5A)
None
None
None
 1.08A 3vywC-1xc6A:
undetectable		 3vywC-1xc6A:
15.02
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.
1yrw PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF02911
(Formyl_trans_C) 		5 TYR A  24
GLY A  15
ALA A 169
PHE A  80
LEU A 103
 None
 1.06A 3vywC-1yrwA:
3.8		 3vywC-1yrwA:
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.
1z7e PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF01370
(Epimerase)
PF02911
(Formyl_trans_C) 		5 TYR A  24
GLY A  15
ALA A 169
PHE A  80
LEU A 103
 None
 1.11A 3vywC-1z7eA:
4.5		 3vywC-1z7eA:
19.36
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.
2cuy MALONYL COA-[ACYL
CARRIER PROTEIN]
TRANSACYLASE

(Thermus
thermophilus) 		PF00698
(Acyl_transf_1) 		5 TYR A 222
ASN A 224
ALA A 107
PHE A   6
LEU A  64
 None
 1.08A 3vywC-2cuyA:
undetectable		 3vywC-2cuyA:
24.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d52 PENTAKETIDE CHROMONE
SYNTHASE

(Aloe
arborescens) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 TYR A  85
LEU A 211
GLY A 210
ALA A 232
LEU A 118
 None
 1.08A 3vywC-2d52A:
undetectable		 3vywC-2d52A:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e67 HYPOTHETICAL PROTEIN
TTHB029

(Thermus
thermophilus) 		PF04794
(YdjC) 		5 TYR A 210
HIS A 252
GLY A  11
LEU A   7
GLY A   8
 None
 1.16A 3vywC-2e67A:
undetectable		 3vywC-2e67A:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fuq HEPARINASE II
PROTEIN

(Pedobacter
heparinus) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		5 TYR A 251
LEU A 258
GLY A 254
ALA A 492
PHE A 245
 None
 1.12A 3vywC-2fuqA:
undetectable		 3vywC-2fuqA:
17.76
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.
2ipi ACLACINOMYCIN
OXIDOREDUCTASE
(AKNOX)

(Streptomyces
galilaeus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		6 GLY A 194
GLY A 143
TYR A 144
ASN A 449
ALA A 191
LEU A 479
 None
FAD  A 801 (-2.9A)
FAD  A 801 (-4.5A)
FAD  A 801 (-3.5A)
None
None
 1.49A 3vywC-2ipiA:
undetectable		 3vywC-2ipiA:
20.15
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.
2iu3 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Gallus gallus) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		5 GLY A 277
LEU A 258
GLY A 259
ALA A 305
LEU A 280
 None
 1.06A 3vywC-2iu3A:
undetectable		 3vywC-2iu3A:
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.
2leq UNCHARACTERIZED
PROTEIN

(Cytophaga
hutchinsonii) 		PF08327
(AHSA1) 		5 LEU A 103
GLY A 106
ASN A  14
ALA A  23
LEU A 136
 None
 1.06A 3vywC-2leqA:
undetectable		 3vywC-2leqA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nya PERIPLASMIC NITRATE
REDUCTASE

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 HIS A 142
GLY A 111
ASN A 447
ALA A 123
PHE A 387
 MGD  A3001 ( 4.9A)
None
None
None
None
 0.79A 3vywC-2nyaA:
2.3		 3vywC-2nyaA:
16.02
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.
2og3 NUCLEOCAPSID PROTEIN

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF00937
(Corona_nucleoca) 		5 GLY A  72
GLY A  70
ALA A 174
PHE A 111
LEU A  57
 None
 1.04A 3vywC-2og3A:
undetectable		 3vywC-2og3A:
17.82
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.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli) 		PF05430
(Methyltransf_30) 		5 TYR A  48
GLY A  86
GLY A  90
ASN A  92
PHE A 200
 None
 0.56A 3vywC-2qy6A:
23.3		 3vywC-2qy6A:
24.63
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.
2r4j AEROBIC
GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF01266
(DAO)
PF16901
(DAO_C) 		5 GLY A  11
GLY A  17
TYR A 358
ASN A  14
ALA A  34
 FAD  A 600 ( 4.6A)
None
None
FAD  A 600 (-3.7A)
FAD  A 600 ( 3.3A)
 0.95A 3vywC-2r4jA:
undetectable		 3vywC-2r4jA:
21.49
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.
2uxt PROTEIN SUFI

(Escherichia
coli) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 TYR A 199
GLY A 156
LEU A 213
GLY A 216
ALA A 143
 None
 0.94A 3vywC-2uxtA:
undetectable		 3vywC-2uxtA:
20.09
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.
2v72 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C) 		5 GLY A  74
GLY A  71
ASN A  72
ALA A 121
LEU A  46
 None
 1.12A 3vywC-2v72A:
undetectable		 3vywC-2v72A:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ycb CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR

(Methanothermobacter
thermautotrophicus) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 HIS A 579
GLY A 419
GLY A 534
ALA A 451
LEU A 272
 PO4  A1639 (-3.9A)
None
None
None
None
 1.17A 3vywC-2ycbA:
undetectable		 3vywC-2ycbA:
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.
3aly PUTATIVE
UNCHARACTERIZED
PROTEIN ST0753

(Sulfurisphaera
tokodaii) 		PF13456
(RVT_3) 		5 LEU A  66
GLY A  67
ALA A 102
PHE A  23
LEU A  56
 None
 1.05A 3vywC-3alyA:
undetectable		 3vywC-3alyA:
19.74
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.
3cnh HYDROLASE FAMILY
PROTEIN

(Deinococcus
radiodurans) 		PF13419
(HAD_2) 		5 LEU A  15
GLY A  11
ASN A 107
PHE A 126
LEU A   6
 None
PO4  A 201 ( 3.5A)
PO4  A 201 (-4.5A)
None
None
 0.99A 3vywC-3cnhA:
undetectable		 3vywC-3cnhA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dan CYTOCHROME P450 74A2

(Parthenium
argentatum) 		PF00067
(p450) 		5 TYR A 243
GLY A 279
ASN A 276
ALA A 179
PHE A 244
 None
None
HEM  A 600 ( 4.0A)
None
None
 1.17A 3vywC-3danA:
undetectable		 3vywC-3danA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		5 GLY A 429
GLY A 386
ASN A 383
PHE A 173
LEU A 452
 None
 1.14A 3vywC-3h09A:
undetectable		 3vywC-3h09A:
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		5 TYR A 677
GLY A 729
LEU A 697
GLY A 726
ASN A 441
 None
 1.11A 3vywC-3hmjA:
4.7		 3vywC-3hmjA:
9.98
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
PF10588
(NADH-G_4Fe-4S_3)
PF13510
(Fer2_4) 		5 HIS 3 468
GLY 3 510
LEU 3 399
GLY 3 400
ALA 3 376
 None
 1.10A 3vywC-3i9v3:
3.4		 3vywC-3i9v3:
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.
3ihg RDME

(Streptomyces
purpurascens) 		PF01494
(FAD_binding_3) 		5 GLY A 387
LEU A 393
GLY A 394
ASN A 414
ALA A 368
 None
 1.00A 3vywC-3ihgA:
undetectable		 3vywC-3ihgA:
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.
3im8 MALONYL ACYL CARRIER
PROTEIN TRANSACYLASE

(Streptococcus
pneumoniae) 		PF00698
(Acyl_transf_1) 		5 GLY A 228
ASN A 229
ALA A 108
PHE A   8
LEU A  66
 None
 1.09A 3vywC-3im8A:
undetectable		 3vywC-3im8A:
23.37
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.
3jbr VOLTAGE-DEPENDENT
CALCIUM CHANNEL
SUBUNIT
ALPHA-2/DELTA-1

(Oryctolagus
cuniculus) 		PF00092
(VWA)
PF08399
(VWA_N)
PF08473
(VGCC_alpha2) 		5 GLY F 211
TYR F 246
ASN F 480
ALA F 222
LEU F 456
 None
 1.16A 3vywC-3jbrF:
undetectable		 3vywC-3jbrF:
12.79
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.
3ktn CARBOHYDRATE KINASE,
PFKB FAMILY

(Enterococcus
faecalis) 		PF00294
(PfkB) 		5 TYR A 185
GLY A 197
LEU A 205
ALA A 281
PHE A 164
 None
 1.05A 3vywC-3ktnA:
undetectable		 3vywC-3ktnA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mi6 ALPHA-GALACTOSIDASE

(Lactobacillus
brevis) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		5 GLY A 711
LEU A 687
GLY A 704
TYR A 693
PHE A 682
 None
 0.96A 3vywC-3mi6A:
undetectable		 3vywC-3mi6A:
17.72
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.
3n5n A/G-SPECIFIC ADENINE
DNA GLYCOSYLASE

(Homo sapiens) 		PF00633
(HHH)
PF00730
(HhH-GPD) 		5 GLY X 219
LEU X 251
GLY X 250
ALA X 208
PHE X 264
 None
 1.08A 3vywC-3n5nX:
undetectable		 3vywC-3n5nX:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nva CTP SYNTHASE

(Sulfolobus
solfataricus) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 GLY A 487
LEU A 493
GLY A 492
ALA A 451
PHE A 389
 None
 1.16A 3vywC-3nvaA:
undetectable		 3vywC-3nvaA:
21.00
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.
3o5a PERIPLASMIC NITRATE
REDUCTASE

(Cupriavidus
necator) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 HIS A 151
GLY A 120
ASN A 457
ALA A 132
PHE A 397
 MGD  A1803 ( 4.6A)
None
None
None
FMT  A 803 (-3.6A)
 0.71A 3vywC-3o5aA:
2.7		 3vywC-3o5aA:
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.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Escherichia
coli) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 TYR A  28
GLY A  66
GLY A  70
ASN A  72
PHE A 180
 SAM  A 670 (-4.5A)
SAM  A 670 (-3.5A)
SAM  A 670 ( 4.5A)
SAM  A 670 ( 3.7A)
SAM  A 670 (-3.6A)
 0.31A 3vywC-3ps9A:
22.5		 3vywC-3ps9A:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qqm MLR3007 PROTEIN

(Mesorhizobium
loti) 		PF01063
(Aminotran_4) 		5 TYR A 196
GLY A 151
GLY A 208
ASN A 155
ALA A 127
 None
None
None
LLP  A 117 ( 3.7A)
None
 1.13A 3vywC-3qqmA:
undetectable		 3vywC-3qqmA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s6o POLYSACCHARIDE
DEACETYLASE FAMILY
PROTEIN

(Burkholderia
pseudomallei) 		PF01522
(Polysacc_deac_1) 		5 LEU A 267
GLY A 268
ALA A 116
PHE A  91
LEU A 120
 None
 1.15A 3vywC-3s6oA:
undetectable		 3vywC-3s6oA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sky COPPER-EXPORTING
P-TYPE ATPASE B

(Archaeoglobus
fulgidus) 		PF00702
(Hydrolase) 		6 GLY A 582
LEU A 615
GLY A 601
ALA A 590
PHE A 388
LEU A 536
 None
 1.44A 3vywC-3skyA:
undetectable		 3vywC-3skyA:
23.71
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.
3t4c 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE 1

(Burkholderia
ambifaria) 		PF00793
(DAHP_synth_1) 		5 TYR A  53
TYR A  49
GLY A  77
LEU A  85
GLY A  84
 None
 1.17A 3vywC-3t4cA:
undetectable		 3vywC-3t4cA:
24.84
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.
3ta6 TRIOSEPHOSPHATE
ISOMERASE

(Mycobacterium
tuberculosis) 		PF00121
(TIM) 		5 GLY A 239
LEU A 214
GLY A 216
PHE A 248
LEU A 243
 None
 1.07A 3vywC-3ta6A:
undetectable		 3vywC-3ta6A:
22.82
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.
3tcv GCN5-RELATED
N-ACETYLTRANSFERASE

(Brucella
abortus) 		PF13302
(Acetyltransf_3) 		5 TYR A 133
LEU A 138
GLY A 139
TYR A 140
PHE A  18
 None
 1.16A 3vywC-3tcvA:
undetectable		 3vywC-3tcvA:
20.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		12 TYR A  63
TYR A  67
HIS A  68
GLY A 104
LEU A 107
GLY A 108
TYR A 109
ASN A 110
LYS A 134
ALA A 175
PHE A 195
LEU A 203
 None
SAM  A 501 (-4.5A)
SAM  A 501 (-4.2A)
SAM  A 501 (-3.6A)
SAM  A 501 (-4.3A)
SAM  A 501 (-4.1A)
SAM  A 501 (-4.6A)
SAM  A 501 (-3.6A)
SAM  A 501 (-4.4A)
SAM  A 501 (-3.8A)
SAM  A 501 (-3.7A)
SAM  A 501 (-4.6A)
 0.41A 3vywC-3vywA:
50.3		 3vywC-3vywA:
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.
4awe ENDO-BETA-D-1,4-MANN
ANASE

(Neurospora
sitophila) 		PF00150
(Cellulase) 		5 TYR A 302
GLY A  25
LEU A 299
GLY A 340
ALA A  46
 None
None
None
ACT  A1392 (-3.4A)
None
 1.16A 3vywC-4aweA:
undetectable		 3vywC-4aweA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cja BURRH

(Paraburkholderia
rhizoxinica) 		PF03377
(TAL_effector) 		5 GLY A 129
LEU A 100
GLY A  96
ASN A  93
ALA A 163
 None
 1.14A 3vywC-4cjaA:
undetectable		 3vywC-4cjaA:
16.14
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.
4cja BURRH

(Paraburkholderia
rhizoxinica) 		PF03377
(TAL_effector) 		5 GLY A 228
LEU A 199
GLY A 195
ASN A 192
ALA A 262
 None
 1.16A 3vywC-4cjaA:
undetectable		 3vywC-4cjaA:
16.14
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.
4cja BURRH

(Paraburkholderia
rhizoxinica) 		PF03377
(TAL_effector) 		5 GLY A 294
LEU A 265
GLY A 261
ASN A 258
ALA A 328
 None
 1.16A 3vywC-4cjaA:
undetectable		 3vywC-4cjaA:
16.14
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.
4cja BURRH

(Paraburkholderia
rhizoxinica) 		PF03377
(TAL_effector) 		5 GLY A 327
LEU A 298
GLY A 294
ASN A 291
ALA A 361
 None
 1.12A 3vywC-4cjaA:
undetectable		 3vywC-4cjaA:
16.14
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.
4cja BURRH

(Paraburkholderia
rhizoxinica) 		PF03377
(TAL_effector) 		5 GLY A 360
LEU A 331
GLY A 327
ASN A 324
ALA A 366
 None
 1.07A 3vywC-4cjaA:
undetectable		 3vywC-4cjaA:
16.14
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.
4cja BURRH

(Paraburkholderia
rhizoxinica) 		PF03377
(TAL_effector) 		5 GLY A 360
LEU A 331
GLY A 327
ASN A 324
ALA A 394
 None
 1.16A 3vywC-4cjaA:
undetectable		 3vywC-4cjaA:
16.14
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.
4cja BURRH

(Paraburkholderia
rhizoxinica) 		PF03377
(TAL_effector) 		5 GLY A 393
LEU A 364
GLY A 360
ASN A 357
ALA A 399
 None
 1.05A 3vywC-4cjaA:
undetectable		 3vywC-4cjaA:
16.14
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.
4cja BURRH

(Paraburkholderia
rhizoxinica) 		PF03377
(TAL_effector) 		5 GLY A 393
LEU A 364
GLY A 360
ASN A 357
ALA A 427
 None
 1.09A 3vywC-4cjaA:
undetectable		 3vywC-4cjaA:
16.14
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.
4cja BURRH

(Paraburkholderia
rhizoxinica) 		PF03377
(TAL_effector) 		5 GLY A 426
LEU A 397
GLY A 393
ASN A 390
ALA A 432
 None
 1.06A 3vywC-4cjaA:
undetectable		 3vywC-4cjaA:
16.14
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.
4cja BURRH

(Paraburkholderia
rhizoxinica) 		PF03377
(TAL_effector) 		5 GLY A 459
LEU A 430
GLY A 426
ASN A 423
ALA A 465
 None
 1.07A 3vywC-4cjaA:
undetectable		 3vywC-4cjaA:
16.14
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.
4cja BURRH

(Paraburkholderia
rhizoxinica) 		PF03377
(TAL_effector) 		5 GLY A 558
LEU A 529
GLY A 525
ASN A 522
ALA A 564
 None
 1.13A 3vywC-4cjaA:
undetectable		 3vywC-4cjaA:
16.14
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.
4cja BURRH

(Paraburkholderia
rhizoxinica) 		PF03377
(TAL_effector) 		5 GLY A 591
LEU A 562
GLY A 558
ASN A 555
ALA A 597
 None
 1.06A 3vywC-4cjaA:
undetectable		 3vywC-4cjaA:
16.14
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.
4cja BURRH

(Paraburkholderia
rhizoxinica) 		PF03377
(TAL_effector) 		5 GLY A 591
LEU A 562
GLY A 558
ASN A 555
ALA A 625
 None
 1.17A 3vywC-4cjaA:
undetectable		 3vywC-4cjaA:
16.14
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.
4cja BURRH

(Paraburkholderia
rhizoxinica) 		PF03377
(TAL_effector) 		5 GLY A 624
LEU A 595
GLY A 591
ASN A 588
ALA A 630
 None
 1.05A 3vywC-4cjaA:
undetectable		 3vywC-4cjaA:
16.14
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.
4cja BURRH

(Paraburkholderia
rhizoxinica) 		PF03377
(TAL_effector) 		5 GLY A 657
LEU A 628
GLY A 624
ASN A 621
ALA A 663
 None
 1.10A 3vywC-4cjaA:
undetectable		 3vywC-4cjaA:
16.14
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.
4cja BURRH

(Paraburkholderia
rhizoxinica) 		PF03377
(TAL_effector) 		5 GLY A 657
LEU A 628
GLY A 624
ASN A 621
ALA A 691
 None
 1.16A 3vywC-4cjaA:
undetectable		 3vywC-4cjaA:
16.14
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.
4eme M18 ASPARTYL
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF02127
(Peptidase_M18) 		5 GLY A  21
LEU A 127
GLY A 128
ALA A  26
LEU A 327
 None
 1.04A 3vywC-4emeA:
undetectable		 3vywC-4emeA:
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.
4eme M18 ASPARTYL
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF02127
(Peptidase_M18) 		5 GLY A  21
LEU A 303
GLY A 128
ALA A  26
LEU A 327
 None
 1.16A 3vywC-4emeA:
undetectable		 3vywC-4emeA:
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.
4gjp HAX3

(Xanthomonas
campestris) 		PF03377
(TAL_effector) 		5 GLY A 711
LEU A 681
GLY A 677
ASN A 674
ALA A 717
 None
 1.06A 3vywC-4gjpA:
undetectable		 3vywC-4gjpA:
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.
4iug BETA-GALACTOSIDASE A

(Aspergillus
oryzae) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 TYR A 362
GLY A 354
GLY A 358
TYR A 359
ALA A 100
 None
 1.04A 3vywC-4iugA:
undetectable		 3vywC-4iugA:
14.65
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.
4jz6 SALICYLALDEHYDE
DEHYDROGENASE NAHF

(Pseudomonas
putida) 		PF00171
(Aldedh) 		5 GLY A 447
LEU A 249
GLY A 453
TYR A 454
PHE A 457
 None
None
None
NK  A 502 ( 4.2A)
None
 1.10A 3vywC-4jz6A:
undetectable		 3vywC-4jz6A:
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.
4kxb GLUTAMYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 HIS A 397
GLY A 417
ASN A 415
ALA A 522
PHE A 337
 ZN  A1001 ( 3.2A)
None
None
None
None
 1.03A 3vywC-4kxbA:
undetectable		 3vywC-4kxbA:
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.
4lw4 CYSTEINE
DESULFURATION
PROTEIN CSDE

(Escherichia
coli) 		PF02657
(SufE) 		5 LEU C 133
GLY C 132
ASN C  63
ALA C  55
LEU C  47
 None
 1.02A 3vywC-4lw4C:
undetectable		 3vywC-4lw4C:
24.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nvt TRIOSEPHOSPHATE
ISOMERASE

(Brucella
melitensis) 		PF00121
(TIM) 		5 GLY A 235
LEU A 210
GLY A 212
PHE A 244
LEU A 239
 None
 1.07A 3vywC-4nvtA:
undetectable		 3vywC-4nvtA:
22.82
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.
4ox9 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE

(Escherichia
coli) 		PF02390
(Methyltransf_4) 		5 GLY Y  32
GLY Y  36
ASN Y  38
ALA Y  87
LEU Y 110
 SFG  Y 301 (-3.9A)
None
SFG  Y 301 ( 4.5A)
SFG  Y 301 (-4.0A)
SFG  Y 301 (-4.0A)
 1.08A 3vywC-4ox9Y:
7.1		 3vywC-4ox9Y:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		6 GLY A 298
LEU A 295
GLY A 294
TYR A 410
ASN A 412
PHE A 396
 None
 1.27A 3vywC-4ph9A:
undetectable		 3vywC-4ph9A:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pht GENERAL SECRETORY
PATHWAY PROTEIN E

(Vibrio
vulnificus) 		PF00437
(T2SSE) 		5 GLY A 382
LEU A 349
GLY A 254
ALA A 359
PHE A 245
 None
 1.04A 3vywC-4phtA:
undetectable		 3vywC-4phtA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pve POLLEN ALLERGEN PHL
P 4.0202

(Phleum pratense) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 TYR A 436
GLY A 208
TYR A  88
ALA A 203
LEU A 474
 FAD  A 601 (-4.5A)
None
FAD  A 601 ( 3.7A)
None
None
 1.16A 3vywC-4pveA:
undetectable		 3vywC-4pveA:
21.06
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.
4qqf MITOCHONDRIAL IMPORT
INNER MEMBRANE
TRANSLOCASE SUBUNIT
TIM50

(Saccharomyces
cerevisiae) 		no annotation 5 LEU D 228
TYR D 232
ALA D 249
PHE D 201
LEU D 198
 None
 1.08A 3vywC-4qqfD:
undetectable		 3vywC-4qqfD:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		5 TYR A  77
TYR A  72
LEU A  41
GLY A  40
LEU A 156
 None
 0.97A 3vywC-4r6wA:
10.2		 3vywC-4r6wA:
23.74
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.
4rkr TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Arthrobacter
sp. FB24) 		PF13377
(Peripla_BP_3) 		5 TYR A  84
GLY A 131
GLY A 115
ALA A 308
PHE A  85
 LBT  A 401 ( 3.7A)
None
None
None
None
 1.00A 3vywC-4rkrA:
3.6		 3vywC-4rkrA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 1
ORIGIN RECOGNITION
COMPLEX SUBUNIT 4

(Drosophila
melanogaster;
Drosophila
melanogaster) 		PF00004
(AAA)
PF09079
(Cdc6_C)
PF13191
(AAA_16)
PF14629
(ORC4_C) 		5 GLY D  56
LEU D  65
GLY D  61
ALA A 825
LEU D 184
 None
 1.15A 3vywC-4xgcD:
undetectable		 3vywC-4xgcD:
23.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yvs CAPSID PROTEIN VP0

(Enterovirus A) 		PF00073
(Rhv) 		5 TYR C 148
GLY C 213
TYR C 130
ALA C  96
LEU C 207
 None
 1.12A 3vywC-4yvsC:
undetectable		 3vywC-4yvsC:
18.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gw7 GLUCOSIDASE YGJK

(Escherichia
coli) 		PF01204
(Trehalase) 		5 GLY A  51
LEU A 133
ALA A  89
PHE A  85
LEU A  87
 None
 1.08A 3vywC-5gw7A:
undetectable		 3vywC-5gw7A:
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.
5h6s AMIDASE

(Microbacterium
sp. HM58-2) 		PF01425
(Amidase) 		5 TYR A 190
GLY A 188
LEU A 423
GLY A 426
ALA A 456
 None
 0.97A 3vywC-5h6sA:
undetectable		 3vywC-5h6sA:
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.
5hy4 RING-OPENING
AMIDOHYDROLASE

(Frankia sp.
Eul1b) 		PF09663
(Amido_AtzD_TrzD) 		5 GLY A 318
LEU A 352
GLY A 349
ALA A 249
LEU A 173
 None
 1.16A 3vywC-5hy4A:
undetectable		 3vywC-5hy4A:
21.18
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.
5hy4 RING-OPENING
AMIDOHYDROLASE

(Frankia sp.
Eul1b) 		PF09663
(Amido_AtzD_TrzD) 		5 GLY A 318
LEU A 352
GLY A 350
ALA A 249
LEU A 173
 None
 1.09A 3vywC-5hy4A:
undetectable		 3vywC-5hy4A:
21.18
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.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 TYR A 362
GLY A 354
GLY A 358
TYR A 359
ALA A 100
 None
 1.06A 3vywC-5ihrA:
undetectable		 3vywC-5ihrA:
15.44
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.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		6 GLY A 297
LEU A 294
GLY A 293
TYR A 409
ASN A 411
PHE A 395
 None
COH  A 602 ( 4.4A)
None
None
None
COH  A 602 ( 4.8A)
 1.31A 3vywC-5ikrA:
undetectable		 3vywC-5ikrA:
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.
5jij ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE

(Mycolicibacterium
thermoresistibile) 		PF00982
(Glyco_transf_20) 		5 GLY A 243
LEU A 200
GLY A 202
PHE A 166
LEU A 195
 None
 0.99A 3vywC-5jijA:
undetectable		 3vywC-5jijA:
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.
5ml0 HISTONE
ACETYLTRANSFERASE
KAT2B

(Mus musculus) 		no annotation 5 LEU A 731
ASN A 733
ALA A 744
PHE A 819
LEU A 815
 None
 1.11A 3vywC-5ml0A:
undetectable		 3vywC-5ml0A:
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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN2

(Saccharomyces
cerevisiae) 		PF01851
(PC_rep)
PF13646
(HEAT_2) 		5 LEU N 517
GLY N 516
ASN N 512
ALA N 446
LEU N 443
 None
 1.06A 3vywC-5mpdN:
undetectable		 3vywC-5mpdN:
15.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5olj DIPEPTIDYL PEPTIDASE
IV

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 TYR A 427
GLY A 407
ALA A 343
PHE A 387
LEU A 377
 None
 1.06A 3vywC-5oljA:
undetectable		 3vywC-5oljA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tu0 LMO2125 PROTEIN

(Listeria
monocytogenes) 		PF13416
(SBP_bac_8) 		5 GLY A 197
GLY A 204
TYR A 205
PHE A 299
LEU A 145
 None
 1.12A 3vywC-5tu0A:
undetectable		 3vywC-5tu0A:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5unc PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE

(Streptomyces
platensis) 		PF13714
(PEP_mutase) 		5 TYR A 191
TYR A 103
ALA A 177
PHE A 150
LEU A 144
 None
 1.02A 3vywC-5uncA:
undetectable		 3vywC-5uncA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v36 GLUTATHIONE
REDUCTASE

(Streptococcus
mutans) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 TYR A   7
GLY A  15
GLY A  39
ALA A 317
LEU A 301
 None
FAD  A 501 (-3.5A)
None
None
None
 1.12A 3vywC-5v36A:
undetectable		 3vywC-5v36A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vy3 PROTEASOME SUBUNIT
ALPHA

(Thermoplasma
acidophilum) 		no annotation 5 TYR A 180
GLY A  39
LEU A 192
GLY A 193
ALA A 139
 None
 0.99A 3vywC-5vy3A:
undetectable		 3vywC-5vy3A:
24.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y2p -

(-) 		no annotation 5 TYR A  11
LEU A  58
GLY A  55
ALA A 100
LEU A 115
 None
 1.04A 3vywC-5y2pA:
undetectable		 3vywC-5y2pA:
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.
6byi BETA-MANNOSIDASE

(Xanthomonas
citri) 		no annotation 5 GLY A 374
LEU A 654
GLY A 663
ALA A 399
LEU A 669
 None
 0.99A 3vywC-6byiA:
undetectable		 3vywC-6byiA:
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.
6byi BETA-MANNOSIDASE

(Xanthomonas
citri) 		no annotation 5 TYR A 576
GLY A 374
GLY A 663
ALA A 399
LEU A 669
 None
 1.06A 3vywC-6byiA:
undetectable		 3vywC-6byiA:
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.
6caa ELECTROGENIC SODIUM
BICARBONATE
COTRANSPORTER 1

(Homo sapiens) 		no annotation 5 GLY A 836
LEU A 482
GLY A 468
ALA A 428
LEU A 811
 None
 1.11A 3vywC-6caaA:
undetectable		 3vywC-6caaA:
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.
6cri -

(-) 		no annotation 5 TYR G  55
LEU G  59
GLY G  60
TYR G  61
LEU G  87
 None
 1.00A 3vywC-6criG:
undetectable		 3vywC-6criG:
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.
1b0k PROTEIN (ACONITASE)

(Sus scrofa) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		4 GLY A 641
GLU A 640
ASP A 568
ASN A 448
 None
None
FLC  A 756 ( 4.7A)
None
 0.91A 3vywC-1b0kA:
undetectable		 3vywC-1b0kA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b7g PROTEIN
(GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE)

(Sulfolobus
solfataricus) 		PF01113
(DapB_N)
PF02800
(Gp_dh_C) 		4 GLY O   8
ASP O  73
ASP O  83
GLU O  72
 None
 1.05A 3vywC-1b7gO:
undetectable		 3vywC-1b7gO:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hl2 N-ACETYLNEURAMINATE
LYASE SUBUNIT

(Escherichia
coli) 		PF00701
(DHDPS) 		4 GLY A  41
ASP A 203
ASP A 101
ASN A   4
 None
 0.98A 3vywC-1hl2A:
undetectable		 3vywC-1hl2A:
22.54
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.
1i9g HYPOTHETICAL PROTEIN
RV2118C

(Mycobacterium
tuberculosis) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		4 GLY A 109
GLU A 131
ASP A 161
ASP A 178
 SAM  A 301 (-3.4A)
SAM  A 301 (-2.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.4A)
 0.66A 3vywC-1i9gA:
12.0		 3vywC-1i9gA:
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.
1iwa RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE/OXYGENAS
E LARGE SUBUNIT

(Galdieria
partita) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 GLY A 337
ASP A 476
ASN A 310
GLU A 136
 None
 0.99A 3vywC-1iwaA:
undetectable		 3vywC-1iwaA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		4 GLU A 216
ASP A 251
ASP A 274
GLU A 282
 None
None
SO4  A 483 (-4.5A)
None
 1.06A 3vywC-1k7hA:
undetectable		 3vywC-1k7hA:
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.
1khh GUANIDINOACETATE
METHYLTRANSFERASE

(Rattus
norvegicus) 		no annotation 4 GLY A  69
GLU A  89
ASP A 134
GLU A 117
 SAH  A 236 (-3.2A)
SAH  A 236 (-2.8A)
SAH  A 236 (-3.4A)
SAH  A 236 (-3.3A)
 0.71A 3vywC-1khhA:
8.8		 3vywC-1khhA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 GLY A 375
GLU A 301
ASP A 273
ASP A 371
 None
 0.85A 3vywC-1lrwA:
undetectable		 3vywC-1lrwA:
19.22
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.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A  84
GLU A 104
ASP A 141
ASP A 158
 None
 0.80A 3vywC-1mjfA:
15.3		 3vywC-1mjfA:
26.57
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.
1now BETA-HEXOSAMINIDASE
BETA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		4 GLY A 352
GLU A 288
ASP A 208
GLU A 491
 None
None
None
IFG  A 557 (-3.2A)
 1.06A 3vywC-1nowA:
undetectable		 3vywC-1nowA:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o54 SAM-DEPENDENT
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF08704
(GCD14) 		4 GLY A 110
GLU A 132
ASP A 160
ASP A 176
 None
 0.43A 3vywC-1o54A:
12.1		 3vywC-1o54A:
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		4 GLY A 401
ASP A 445
ASP A 419
ASN A 429
 None
None
ADP  A1731 (-2.7A)
None
 0.98A 3vywC-1o94A:
undetectable		 3vywC-1o94A:
17.19
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.
1or8 PROTEIN ARGININE
N-METHYLTRANSFERASE
1

(Rattus
norvegicus) 		PF13649
(Methyltransf_25) 		4 GLY A  80
GLU A 100
ASP A  76
GLU A 129
 SAH  A 354 (-3.6A)
SAH  A 354 (-2.5A)
SAH  A 354 ( 3.9A)
SAH  A 354 (-3.7A)
 0.86A 3vywC-1or8A:
6.5		 3vywC-1or8A:
22.70
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.
1prn PORIN

(Rhodobacter
blasticus) 		PF13609
(Porin_4) 		4 GLY A 186
GLU A 163
ASP A  86
ASN A 118
 None
 1.06A 3vywC-1prnA:
undetectable		 3vywC-1prnA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qd6 PROTEIN (OUTER
MEMBRANE
PHOSPHOLIPASE
(OMPLA))

(Escherichia
coli) 		PF02253
(PLA1) 		4 ASP C 251
ASP C 149
ASN C 145
GLU C 111
 None
 0.98A 3vywC-1qd6C:
undetectable		 3vywC-1qd6C:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qxo CHORISMATE SYNTHASE

(Streptococcus
pneumoniae) 		PF01264
(Chorismate_synt) 		4 GLY A  42
ASP A  35
ASN A 159
GLU A 351
 None
 0.82A 3vywC-1qxoA:
undetectable		 3vywC-1qxoA:
23.53
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.
1r18 PROTEIN-L-ISOASPARTA
TE(D-ASPARTATE)-O-ME
THYLTRANSFERASE

(Drosophila
melanogaster) 		PF01135
(PCMT) 		4 GLY A  88
GLU A 115
ASP A 147
ASP A  84
 SAH  A 300 (-3.2A)
SAH  A 300 (-2.9A)
SAH  A 300 (-3.6A)
SAH  A 300 ( 4.9A)
 0.95A 3vywC-1r18A:
8.3		 3vywC-1r18A:
21.18
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.
1vqu ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE 2

(Nostoc sp. PCC
7120) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		4 GLY A 253
GLU A 245
ASP A 248
ASN A 317
 None
 1.06A 3vywC-1vquA:
undetectable		 3vywC-1vquA:
23.62
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		4 GLY A  59
GLU A  79
ASP A 105
ASP A  55
 SAH  A1001 (-3.3A)
SAH  A1001 (-2.8A)
SAH  A1001 (-3.2A)
SAH  A1001 ( 4.5A)
 0.95A 3vywC-1wy7A:
10.6		 3vywC-1wy7A:
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.
1xcj GUANIDINOACETATE
N-METHYLTRANSFERASE

(Rattus
norvegicus) 		no annotation 4 GLY A  69
GLU A  89
ASP A 134
GLU A 117
 SAH  A 236 (-3.3A)
SAH  A 236 (-2.9A)
NMG  A 237 ( 3.0A)
SAH  A 236 (-3.2A)
 0.69A 3vywC-1xcjA:
12.5		 3vywC-1xcjA:
22.32
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.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A 130
GLU A 151
ASP A 182
ASP A 201
 None
 0.75A 3vywC-1xj5A:
15.0		 3vywC-1xj5A:
24.23
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.
1zjc AMINOPEPTIDASE AMPS

(Staphylococcus
aureus) 		PF02073
(Peptidase_M29) 		4 GLY A 277
ASP A  61
ASP A 109
GLU A  35
 None
 1.00A 3vywC-1zjcA:
undetectable		 3vywC-1zjcA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b25 HYPOTHETICAL PROTEIN

(Homo sapiens) 		PF08704
(GCD14) 		4 GLY A 113
GLU A 135
ASP A 173
ASP A 192
 SAM  A 601 (-3.2A)
SAM  A 601 (-2.9A)
SAM  A 601 (-3.4A)
SAM  A 601 (-3.5A)
 0.58A 3vywC-2b25A:
11.3		 3vywC-2b25A:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bhn XPF ENDONUCLEASE

(Aeropyrum
pernix) 		PF02732
(ERCC4)
PF14520
(HHH_5) 		4 GLY A  51
GLU A  62
ASP A  68
ASP A  24
 None
 0.95A 3vywC-2bhnA:
undetectable		 3vywC-2bhnA:
23.05
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.
2boa CARBOXYPEPTIDASE A4

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 GLY A1278
ASP A  53
ASN A  36
GLU A1163
 None
 0.97A 3vywC-2boaA:
undetectable		 3vywC-2boaA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cgj L-RHAMNULOSE KINASE

(Escherichia
coli) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 GLY A  12
ASP A 162
ASP A  10
GLU A 175
 ADP  A1482 ( 4.0A)
None
None
None
 1.03A 3vywC-2cgjA:
undetectable		 3vywC-2cgjA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d0v METHANOL
DEHYDROGENASE LARGE
SUBUNIT

(Hyphomicrobium
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 GLY A 375
GLU A 301
ASP A 273
ASP A 371
 None
 0.91A 3vywC-2d0vA:
undetectable		 3vywC-2d0vA:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN B
BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN A

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		4 GLY N 352
GLU M 288
ASP M 208
GLU N 491
 None
 1.00A 3vywC-2gk1N:
undetectable		 3vywC-2gk1N:
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.
2j7p CELL DIVISION
PROTEIN FTSY

(Thermus
aquaticus) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		4 GLY D 146
ASP D 168
ASP D 191
GLU D 205
 None
None
MG  D1401 ( 4.0A)
None
 0.87A 3vywC-2j7pD:
3.2		 3vywC-2j7pD:
25.84
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.
2oo3 PROTEIN INVOLVED IN
CATABOLISM OF
EXTERNAL DNA

(Legionella
pneumophila) 		PF04378
(RsmJ) 		4 GLY A  44
GLU A 119
ASP A 144
ASP A 165
 None
 1.06A 3vywC-2oo3A:
6.7		 3vywC-2oo3A:
25.00
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.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A 126
GLU A 147
ASP A 178
ASP A 196
 S4M  A 501 ( 4.4A)
S4M  A 501 (-2.7A)
S4M  A 501 (-3.3A)
S4M  A 501 (-2.6A)
 0.77A 3vywC-2pt6A:
13.4		 3vywC-2pt6A:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli) 		PF05430
(Methyltransf_30) 		5 GLY A  88
GLU A 121
ASP A 176
ASP A 198
ASN A 205
 None
 0.67A 3vywC-2qy6A:
23.3		 3vywC-2qy6A:
24.63
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.
2x86 ADP-L-GLYCERO-D-MANN
O-HEPTOSE-6-EPIMERAS
E

(Escherichia
coli) 		PF01370
(Epimerase) 		4 GLY A 236
ASP A 216
ASN A 221
GLU A  75
 None
 1.05A 3vywC-2x86A:
3.0		 3vywC-2x86A:
23.66
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.
2yvl HYPOTHETICAL PROTEIN

(Aquifex
aeolicus) 		PF08704
(GCD14) 		4 GLY A 101
GLU A 120
ASP A 148
ASP A 165
 SAM  A 601 (-3.5A)
SAM  A 601 (-2.7A)
SAM  A 601 (-3.1A)
SAM  A 601 (-3.4A)
 0.76A 3vywC-2yvlA:
11.0		 3vywC-2yvlA:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zds PUTATIVE DNA-BINDING
PROTEIN

(Streptomyces
coelicolor) 		PF01261
(AP_endonuc_2)
PF07582
(AP_endonuc_2_N) 		4 GLY A 132
GLU A 183
ASP A 209
GLU A 294
 None
 1.06A 3vywC-2zdsA:
undetectable		 3vywC-2zdsA:
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.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A  86
GLU A 107
ASP A 144
ASP A 161
 None
None
None
AG3  A1001 (-2.8A)
 0.70A 3vywC-2zsuA:
15.8		 3vywC-2zsuA:
27.10
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.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		4 GLY A 243
GLU A 262
ASP A 288
ASP A 239
 SAH  A 376 (-3.4A)
SAH  A 376 (-2.7A)
SAH  A 376 (-4.1A)
SAH  A 376 ( 4.2A)
 0.89A 3vywC-2zwvA:
8.9		 3vywC-2zwvA:
24.32
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.
3av6 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		4 GLY A1150
GLU A1171
ASP A1193
ASP A1146
 SAM  A   1 ( 3.9A)
SAM  A   1 (-2.6A)
SAM  A   1 (-3.6A)
SAM  A   1 ( 4.7A)
 0.87A 3vywC-3av6A:
6.7		 3vywC-3av6A:
13.70
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.
3c6m SPERMINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A 200
GLU A 220
ASP A 255
ASP A 276
 MTA  A 401 (-3.7A)
MTA  A 401 (-2.5A)
MTA  A 401 (-3.6A)
SPM  A 501 ( 3.2A)
 0.69A 3vywC-3c6mA:
14.7		 3vywC-3c6mA:
21.05
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.
3fef PUTATIVE GLUCOSIDASE
LPLD,
ALPHA-GALACTURONIDAS
E

(Bacillus
subtilis) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 GLY A 329
GLU A 330
ASN A 348
GLU A 367
 None
 1.06A 3vywC-3fefA:
4.8		 3vywC-3fefA:
24.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		4 GLY A   9
GLU A  29
ASP A  51
ASP A   5
 None
 0.96A 3vywC-3g7uA:
6.7		 3vywC-3g7uA:
21.63
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.
3gnr OS03G0212800 PROTEIN

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		4 GLY A 295
ASP A 279
ASP A 344
GLU A 271
 GLY  A 295 ( 0.0A)
ASP  A 279 ( 0.6A)
ASP  A 344 ( 0.6A)
GLU  A 271 ( 0.6A)
 0.97A 3vywC-3gnrA:
undetectable		 3vywC-3gnrA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gq9 PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		4 GLY A 396
ASP A 399
ASN A 305
GLU A 333
 None
None
NA  A   1 (-3.9A)
None
 1.01A 3vywC-3gq9A:
undetectable		 3vywC-3gq9A:
18.70
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.
3gyr PHENOXAZINONE
SYNTHASE

(Streptomyces
antibioticus) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A 164
ASP A 224
ASP A 339
GLU A 227
 None
 0.79A 3vywC-3gyrA:
undetectable		 3vywC-3gyrA:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iht S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE

(Ruegeria
pomeroyi) 		PF12692
(Methyltransf_17) 		4 GLY A  49
GLU A  70
ASP A  90
ASP A 112
 SAM  A 200 (-3.2A)
SAM  A 200 (-2.7A)
SAM  A 200 (-3.2A)
SAM  A 200 (-3.7A)
 0.61A 3vywC-3ihtA:
11.5		 3vywC-3ihtA:
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.
3j0c E2 ENVELOPE
GLYCOPROTEIN

(Venezuelan
equine
encephalitis
virus) 		PF00943
(Alpha_E2_glycop) 		4 GLY B  63
ASP B  56
ASN B   7
GLU B   8
 None
 1.06A 3vywC-3j0cB:
undetectable		 3vywC-3j0cB:
20.81
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.
3jux PROTEIN TRANSLOCASE
SUBUNIT SECA

(Thermotoga
maritima) 		PF00271
(Helicase_C)
PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		4 GLY A  98
GLU A  99
ASP A  78
GLU A 185
 ADP  A 873 (-3.5A)
None
None
None
 1.06A 3vywC-3juxA:
2.8		 3vywC-3juxA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lga SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
abyssi) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		4 GLY A 103
GLU A 125
ASP A 153
ASP A 169
 SAH  A 301 (-3.5A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.1A)
SAH  A 301 (-3.6A)
 0.72A 3vywC-3lgaA:
11.4		 3vywC-3lgaA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lpm PUTATIVE
METHYLTRANSFERASE

(Listeria
monocytogenes) 		PF05175
(MTS) 		4 GLY A  59
GLU A  79
ASP A 107
ASP A  55
 None
 0.90A 3vywC-3lpmA:
11.1		 3vywC-3lpmA:
23.36
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.
3mkv PUTATIVE
AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 GLY A 322
GLU A 336
ASP A 324
ASN A 254
 None
None
ZN  A 425 (-2.6A)
None
 1.03A 3vywC-3mkvA:
undetectable		 3vywC-3mkvA:
22.84
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.
3n2c PROLIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 GLY A 319
GLU A 333
ASP A 321
ASN A 251
 None
None
ZN  A 425 ( 2.9A)
None
 0.93A 3vywC-3n2cA:
undetectable		 3vywC-3n2cA:
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.
3ohg UNCHARACTERIZED
PROTEIN FROM DUF2233
FAMILY

(Bacteroides
ovatus) 		PF09992
(NAGPA) 		4 GLY A 170
GLU A 171
ASP A 227
ASN A  86
 None
EDO  A 419 ( 3.7A)
None
EDO  A 419 (-3.9A)
 0.95A 3vywC-3ohgA:
undetectable		 3vywC-3ohgA:
21.23
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.
3orh GUANIDINOACETATE
N-METHYLTRANSFERASE

(Homo sapiens) 		no annotation 4 GLY A  70
GLU A  90
ASP A 135
GLU A 118
 SAH  A4000 (-3.3A)
SAH  A4000 (-2.7A)
SAH  A4000 (-3.7A)
SAH  A4000 (-3.2A)
 0.70A 3vywC-3orhA:
12.4		 3vywC-3orhA:
22.57
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.
3oth CALG1

(Micromonospora
echinospora) 		PF00201
(UDPGT)
PF03033
(Glyco_transf_28) 		4 GLY A 246
ASP A 334
ASP A 344
ASN A 340
 None
 0.99A 3vywC-3othA:
2.2		 3vywC-3othA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Escherichia
coli) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 GLY A  68
GLU A 101
ASP A 156
ASP A 178
ASN A 185
 SAM  A 670 (-3.2A)
SAM  A 670 (-2.6A)
SAM  A 670 (-3.5A)
SAM  A 670 (-3.4A)
SAM  A 670 ( 4.1A)
 0.56A 3vywC-3ps9A:
22.5		 3vywC-3ps9A:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC) 		4 GLY A1147
GLU A1168
ASP A1190
ASP A1143
 SAH  A1601 (-3.5A)
SAH  A1601 (-3.0A)
SAH  A1601 ( 4.7A)
None
 0.85A 3vywC-3ptaA:
7.5		 3vywC-3ptaA:
16.18
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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		4 GLY A  68
GLU A 101
ASP A 156
ASP A 178
 None
 0.41A 3vywC-3pvcA:
20.2		 3vywC-3pvcA:
17.72
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.
3px2 N-METHYLTRANSFERASE

(Streptomyces
fradiae) 		PF13649
(Methyltransf_25) 		4 GLY A  60
GLU A  79
ASP A 101
ASP A  56
 SAH  A 263 (-3.3A)
SAH  A 263 (-2.7A)
SAH  A 263 (-3.5A)
None
 1.01A 3vywC-3px2A:
9.5		 3vywC-3px2A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r0q PROBABLE PROTEIN
ARGININE
N-METHYLTRANSFERASE
4.2

(Arabidopsis
thaliana) 		no annotation 4 GLY C  80
GLU C 100
ASP C  76
GLU C 129
 SAH  C   1 ( 3.7A)
SAH  C   1 (-3.0A)
SAH  C   1 ( 4.5A)
SAH  C   1 (-3.4A)
 0.77A 3vywC-3r0qC:
6.0		 3vywC-3r0qC:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A 103
GLU A 124
ASP A 155
ASP A 173
 DSH  A 303 (-3.5A)
DSH  A 303 (-2.6A)
DSH  A 303 (-3.5A)
DSH  A 303 (-3.0A)
 0.73A 3vywC-3rw9A:
13.4		 3vywC-3rw9A:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		4 GLY A 295
ASP A 285
ASN A 334
GLU A 281
 SAH  A 900 ( 3.7A)
None
EDO  A 906 ( 3.7A)
None
 0.95A 3vywC-3s1sA:
9.0		 3vywC-3s1sA:
16.78
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.
3tt0 BASIC FIBROBLAST
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 GLY A 697
GLU A 692
ASP A 623
ASN A 659
 None
 1.05A 3vywC-3tt0A:
undetectable		 3vywC-3tt0A:
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.
3vsz RICIN B LECTIN

(Ruminiclostridium
thermocellum) 		PF04616
(Glyco_hydro_43)
PF14200
(RicinB_lectin_2) 		4 GLY A 138
GLU A 132
ASN A 200
GLU A 229
 None
 1.00A 3vywC-3vszA:
undetectable		 3vywC-3vszA:
19.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		4 GLY A 106
GLU A 133
ASP A 174
ASP A 102
 SAM  A 501 (-3.3A)
SAM  A 501 (-2.3A)
SAM  A 501 (-3.4A)
SAM  A 501 ( 4.9A)
 1.02A 3vywC-3vywA:
50.3		 3vywC-3vywA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		6 GLY A 106
GLU A 133
ASP A 174
ASP A 193
ASN A 200
GLU A 202
 SAM  A 501 (-3.3A)
SAM  A 501 (-2.3A)
SAM  A 501 (-3.4A)
SAM  A 501 (-3.8A)
SAM  A 501 (-3.2A)
SAM  A 501 (-4.2A)
 0.28A 3vywC-3vywA:
50.3		 3vywC-3vywA:
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.
4blu RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Escherichia
coli) 		PF04378
(RsmJ) 		4 GLY A  44
GLU A 118
ASP A 143
ASP A 164
 EDO  A1284 ( 4.7A)
None
None
TRS  A1281 ( 3.0A)
 1.05A 3vywC-4bluA:
8.1		 3vywC-4bluA:
21.21
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.
4ej0 ADP-L-GLYCERO-D-MANN
O-HEPTOSE-6-EPIMERAS
E

(Burkholderia
thailandensis) 		PF01370
(Epimerase) 		4 GLY A 241
ASP A 220
ASN A 225
GLU A  75
 None
 1.03A 3vywC-4ej0A:
4.2		 3vywC-4ej0A:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hgx XYLOSE ISOMERASE
DOMAIN CONTAINING
PROTEIN

(Salmonella
enterica) 		PF01261
(AP_endonuc_2) 		4 GLY A 136
ASP A 170
ASN A  71
GLU A 245
 None
ZN  A 301 (-3.0A)
None
ZN  A 301 (-2.1A)
 1.05A 3vywC-4hgxA:
undetectable		 3vywC-4hgxA:
23.66
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.
4kkj TRANSCOBALAMIN-1

(Homo sapiens) 		PF01122
(Cobalamin_bind)
PF14478
(DUF4430) 		4 GLY A 165
ASP A 127
ASP A 163
ASN A 120
 None
None
CBY  A 508 (-2.7A)
CBY  A 508 (-3.3A)
 1.01A 3vywC-4kkjA:
undetectable		 3vywC-4kkjA:
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.
4lwo ARGININE
N-METHYLTRANSFERASE,
PUTATIVE

(Trypanosoma
brucei) 		no annotation 4 GLY B  64
GLU B  84
ASP B  60
GLU B 113
 None
 0.98A 3vywC-4lwoB:
5.5		 3vywC-4lwoB:
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.
4qpp PROTEIN ARGININE
N-METHYLTRANSFERASE
6

(Homo sapiens) 		PF13649
(Methyltransf_25) 		4 GLY A  92
GLU A 112
ASP A  88
GLU A 141
 SAH  A1000 ( 3.7A)
SAH  A1000 (-2.7A)
SAH  A1000 ( 4.2A)
SAH  A1000 (-3.3A)
 0.87A 3vywC-4qppA:
6.3		 3vywC-4qppA:
23.80
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.
4rws C-X-C CHEMOKINE
RECEPTOR TYPE
4/ENDOLYSIN CHIMERIC
PROTEIN
VIRAL MACROPHAGE
INFLAMMATORY PROTEIN
2

(Homo sapiens;
Escherichia
virus T4;
Human
gammaherpesvirus
8) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
PF12109
(CXCR4_N)
PF00048
(IL8) 		4 GLY C   2
GLU A 288
ASP A  97
ASN A  37
 None
 1.02A 3vywC-4rwsC:
undetectable		 3vywC-4rwsC:
12.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		4 GLY A 467
ASP A 419
ASN A 404
GLU A 421
 None
 1.00A 3vywC-4txgA:
undetectable		 3vywC-4txgA:
16.62
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.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 GLY A 126
GLU A 147
ASP A 178
ASP A 196
 MTA  A 401 ( 4.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
4ZY  A 501 ( 3.6A)
 0.76A 3vywC-4uoeA:
15.6		 3vywC-4uoeA:
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.
4wxx DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		4 GLY A1147
GLU A1168
ASP A1190
ASP A1143
 SAH  A1706 (-3.2A)
SAH  A1706 (-2.8A)
SAH  A1706 (-3.3A)
None
 0.84A 3vywC-4wxxA:
7.7		 3vywC-4wxxA:
14.07
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.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 4
ORIGIN RECOGNITION
COMPLEX SUBUNIT 5

(Drosophila
melanogaster;
Drosophila
melanogaster) 		PF13191
(AAA_16)
PF14629
(ORC4_C)
PF13191
(AAA_16)
PF14630
(ORC5_C) 		4 GLY D 333
ASP D 295
ASP D 335
GLU E 174
 None
 1.01A 3vywC-4xgcD:
undetectable		 3vywC-4xgcD:
23.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		4 GLY A 906
GLU A 944
ASP A 981
ASP A 902
 None
 0.99A 3vywC-4xqkA:
undetectable		 3vywC-4xqkA:
12.67
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.
4yla AROMATIC
PRENYLTRANSFERASE

(Marinactinospora
thermotolerans) 		PF11991
(Trp_DMAT) 		4 GLY A 220
ASP A   4
ASN A 349
GLU A  89
 ILV  A 401 (-3.8A)
ILV  A 401 (-4.5A)
ILV  A 401 (-3.6A)
ILV  A 401 (-3.3A)
 0.83A 3vywC-4ylaA:
undetectable		 3vywC-4ylaA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yv7 PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		4 GLU A 281
ASP A 303
ASP A 255
ASN A 143
 None
None
GOL  A 401 (-2.7A)
None
 1.04A 3vywC-4yv7A:
2.8		 3vywC-4yv7A:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a08 PROBABLE
MANNOSYLTRANSFERASE
KTR4

(Saccharomyces
cerevisiae) 		PF01793
(Glyco_transf_15) 		4 GLY A 408
ASP A 425
ASP A 406
ASN A 272
 None
 1.03A 3vywC-5a08A:
undetectable		 3vywC-5a08A:
24.15
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.
5bsz N-METHYLTRANSFERASE

(Streptoalloteichus
sp. ATCC 53650) 		PF13649
(Methyltransf_25) 		4 GLY A  55
GLU A  74
ASP A  96
ASP A  51
 SAH  A 301 ( 3.7A)
SAH  A 301 (-2.9A)
SAH  A 301 (-3.7A)
SAH  A 301 ( 4.7A)
 0.95A 3vywC-5bszA:
10.8		 3vywC-5bszA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bxy RNA
METHYLTRANSFERASE

(Salinibacter
ruber) 		PF13847
(Methyltransf_31) 		4 GLY A  33
GLU A  53
ASP A  81
ASP A  29
 SAH  A 201 (-3.4A)
SAH  A 201 (-2.8A)
SAH  A 201 (-3.6A)
SAH  A 201 (-2.9A)
 0.91A 3vywC-5bxyA:
10.1		 3vywC-5bxyA:
20.54
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.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A

(Homo sapiens) 		PF08704
(GCD14) 		4 GLY A 113
GLU A 135
ASP A 163
ASP A 181
 SAH  A 301 (-2.9A)
SAH  A 301 (-2.2A)
SAH  A 301 (-2.7A)
SAH  A 301 (-2.4A)
 0.62A 3vywC-5ccxA:
11.5		 3vywC-5ccxA:
23.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dst PROTEIN ARGININE
N-METHYLTRANSFERASE
8

(Homo sapiens) 		PF06325
(PrmA) 		4 GLY A 121
GLU A 141
ASP A 117
GLU A 170
 SAH  A 401 ( 3.8A)
SAH  A 401 (-2.7A)
SAH  A 401 ( 3.9A)
SAH  A 401 (-3.3A)
 0.98A 3vywC-5dstA:
5.8		 3vywC-5dstA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		4 GLY A 165
GLU A 186
ASP A 222
ASP A 161
 None
 0.99A 3vywC-5dtrA:
8.6		 3vywC-5dtrA:
23.96
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.
5erg TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61

(Saccharomyces
cerevisiae) 		PF08704
(GCD14) 		4 GLY B 120
GLU B 139
ASP B 168
ASP B 203
 SAM  B 401 (-3.3A)
SAM  B 401 (-2.9A)
SAM  B 401 (-3.5A)
SAM  B 401 (-3.3A)
 0.72A 3vywC-5ergB:
10.6		 3vywC-5ergB:
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.
5fub PROTEIN ARGININE
METHYLTRANSFERASE 2

(Danio rerio) 		PF13649
(Methyltransf_25) 		4 GLY A 125
GLU A 146
ASP A 121
GLU A 175
 SAH  A 409 ( 3.7A)
SAH  A 409 (-2.6A)
SAH  A 409 ( 4.5A)
SAH  A 409 (-3.1A)
 0.95A 3vywC-5fubA:
6.1		 3vywC-5fubA:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ful PROTEIN ARGININE
N-METHYLTRANSFERASE
2

(Mus musculus) 		PF05175
(MTS) 		4 GLY A 159
GLU A 180
ASP A 155
GLU A 209
 SAH  A1446 ( 3.9A)
SAH  A1446 (-2.7A)
SAH  A1446 ( 4.5A)
SAH  A1446 (-3.1A)
 0.82A 3vywC-5fulA:
6.4		 3vywC-5fulA:
22.57
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.
5gut DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH) 		4 GLY A1150
GLU A1171
ASP A1193
ASP A1146
 SAH  A1701 (-3.5A)
SAH  A1701 (-2.7A)
SAH  A1701 (-3.7A)
None
 0.84A 3vywC-5gutA:
8.1		 3vywC-5gutA:
17.36
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.
5hfj ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA)

(Helicobacter
pylori) 		PF01555
(N6_N4_Mtase) 		4 GLY A 197
GLU A 216
ASP A   8
ASP A  29
 SAM  A 301 (-3.4A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.2A)
 0.87A 3vywC-5hfjA:
3.7		 3vywC-5hfjA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ikz OXALATE BIOSYNTHETIC
COMPONENT 1

(Burkholderia
thailandensis) 		PF05853
(BKACE) 		4 GLY A  13
GLU A 477
ASN A 277
GLU A 348
 None
MG  A1201 (-2.8A)
None
None
 1.03A 3vywC-5ikzA:
undetectable		 3vywC-5ikzA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kwl VP3

(Enterovirus C) 		PF00073
(Rhv) 		4 GLY 3 138
GLU 3 186
ASP 3  92
ASP 3 140
 None
 1.00A 3vywC-5kwl3:
undetectable		 3vywC-5kwl3:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kz5 FRATAXIN,
MITOCHONDRIAL
IRON-SULFUR CLUSTER
ASSEMBLY ENZYME
ISCU, MITOCHONDRIAL

(Homo sapiens;
Homo sapiens) 		PF01491
(Frataxin_Cyay)
PF01491
(Frataxin_Cyay) 		4 GLY A 207
GLU A 184
ASP A 178
GLU a 165
 None
 1.01A 3vywC-5kz5A:
undetectable		 3vywC-5kz5A:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5usw DIHYDROPTEROATE
SYNTHASE

(Aliivibrio
fischeri) 		PF00809
(Pterin_bind) 		4 GLY A  59
GLU A  74
ASP A  96
GLU A 122
 None
None
GOL  A 303 ( 4.7A)
None
 1.02A 3vywC-5uswA:
undetectable		 3vywC-5uswA:
23.33
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.
5wcj METHYLTRANSFERASE-LI
KE PROTEIN 13

(Homo sapiens) 		PF01564
(Spermine_synth) 		4 GLY A 503
GLU A 524
ASP A 551
ASP A 575
 SAH  A 705 (-3.6A)
SAH  A 705 (-2.7A)
SAH  A 705 (-3.4A)
SAH  A 705 (-3.6A)
 0.69A 3vywC-5wcjA:
12.9		 3vywC-5wcjA:
23.15
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.
5xd7 3,6-ANHYDRO-ALPHA-L-
GALACTONATE
CYCLOISOMERASE

(Vibrio sp. EJY3) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A  54
ASP A 198
ASN A 251
GLU A 225
 None
MG  A 402 (-2.9A)
None
None
 0.78A 3vywC-5xd7A:
undetectable		 3vywC-5xd7A:
23.26
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.
5xm3 GLUCOSE
DEHYDROGENASE

(Methylophaga
aminisulfidivorans) 		no annotation 4 GLY A 406
GLU A 332
ASP A 304
ASP A 402
 None
 0.88A 3vywC-5xm3A:
undetectable		 3vywC-5xm3A:
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.
5z0r EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY
1,VIRAL GENOME
PROTEIN

(Escherichia
coli) 		no annotation 4 GLY A 261
GLU A 112
ASP A  15
ASP A  66
 MAL  A 501 ( 4.8A)
MAL  A 501 (-2.6A)
None
MAL  A 501 (-3.0A)
 1.02A 3vywC-5z0rA:
undetectable		 3vywC-5z0rA:
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.
6d2l HISTONE-ARGININE
METHYLTRANSFERASE
CARM1

(Homo sapiens) 		no annotation 4 GLY A 194
GLU A 214
ASP A 190
GLU A 243
 FTG  A 501 ( 3.9A)
FTG  A 501 (-2.5A)
None
FTG  A 501 (-3.2A)
 0.78A 3vywC-6d2lA:
7.0		 3vywC-6d2lA:
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.
6ftl RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Skeletonema
marinoi) 		no annotation 4 GLY A 340
ASP A 481
ASN A 313
GLU A 140
 None
 0.89A 3vywC-6ftlA:
undetectable		 3vywC-6ftlA:
undetectable