SIMILAR PATTERNS OF AMINO ACIDS FOR 2YVL_A_SAMA601

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dbv GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 GLY O   4
ALA O 111
LEU O  82
VAL O   1
VAL O  93
 None
 1.06A 2yvlA-1dbvO:
4.7		 2yvlA-1dbvO:
22.73
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.
1dxl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pisum sativum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 145
ILE A 144
ALA A 314
ALA A 325
VAL A  20
 None
None
None
FAD  A 480 (-3.5A)
None
 1.08A 2yvlA-1dxlA:
3.9		 2yvlA-1dxlA:
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.
1dxl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pisum sativum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 145
ILE A 144
GLY A 316
ALA A 314
ALA A 325
 None
None
FAD  A 480 ( 4.0A)
None
FAD  A 480 (-3.5A)
 0.99A 2yvlA-1dxlA:
3.9		 2yvlA-1dxlA:
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.
1f8w NADH PEROXIDASE

(Enterococcus
faecalis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 108
ILE A 109
GLY A  11
LEU A   6
ALA A 299
 None
None
FAD  A 448 (-3.7A)
FAD  A 448 (-4.4A)
FAD  A 448 (-3.4A)
 1.03A 2yvlA-1f8wA:
2.9		 2yvlA-1f8wA:
21.65
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.
1ftg APOFLAVODOXIN

(Nostoc sp. PCC
7119) 		PF00258
(Flavodoxin_1) 		5 GLY A  53
GLY A  87
ALA A  19
VAL A  18
PHE A   7
 None
 0.92A 2yvlA-1ftgA:
undetectable		 2yvlA-1ftgA:
23.61
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.
1gdh D-GLYCERATE
DEHYDROGENASE

(Hyphomicrobium
methylovorum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLY A 154
GLY A 156
SER A 157
ALA A 161
LEU A 162
 None
 0.73A 2yvlA-1gdhA:
6.9		 2yvlA-1gdhA:
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.
1gns SUBTILISIN BPN'

(Bacillus
amyloliquefaciens) 		PF00082
(Peptidase_S8) 		5 THR A 254
ILE A 268
GLY A 264
GLY A 266
PHE A 261
 None
 1.02A 2yvlA-1gnsA:
2.7		 2yvlA-1gnsA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i9g HYPOTHETICAL PROTEIN
RV2118C

(Mycobacterium
tuberculosis) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		6 ILE A  83
GLY A 107
GLY A 109
SER A 110
ALA A 112
LEU A 113
 SAM  A 301 (-4.0A)
SAM  A 301 (-2.7A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.4A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.5A)
 0.38A 2yvlA-1i9gA:
27.6		 2yvlA-1i9gA:
29.14
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.
1npe NIDOGEN

(Mus musculus) 		PF00058
(Ldl_recept_b) 		5 ILE A1015
GLY A1038
GLY A 995
ALA A1125
VAL A1040
 None
 1.14A 2yvlA-1npeA:
undetectable		 2yvlA-1npeA:
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.
1nrf REGULATORY PROTEIN
BLAR1

(Bacillus
licheniformis) 		PF00905
(Transpeptidase) 		5 GLY A 552
GLY A 579
SER A 580
ALA A 401
PHE A 398
 None
 0.88A 2yvlA-1nrfA:
undetectable		 2yvlA-1nrfA:
19.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o54 SAM-DEPENDENT
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF08704
(GCD14) 		5 ILE A  83
GLY A 108
GLY A 110
ALA A 113
VAL A 177
 CL  A 266 ( 4.7A)
None
None
CL  A 266 (-3.6A)
None
 0.44A 2yvlA-1o54A:
27.7		 2yvlA-1o54A:
35.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o54 SAM-DEPENDENT
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF08704
(GCD14) 		5 ILE A  83
GLY A 108
GLY A 110
SER A 111
VAL A 177
 CL  A 266 ( 4.7A)
None
None
CL  A 266 ( 4.4A)
None
 0.94A 2yvlA-1o54A:
27.7		 2yvlA-1o54A:
35.61
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.
1oed ACETYLCHOLINE
RECEPTOR PROTEIN,
ALPHA CHAIN
ACETYLCHOLINE
RECEPTOR PROTEIN,
BETA CHAIN

(Torpedo
marmorata;
Torpedo
marmorata) 		PF02932
(Neur_chan_memb)
PF02932
(Neur_chan_memb) 		5 ILE B 231
ALA B 235
LEU B 234
VAL A 249
VAL B 261
 None
 1.07A 2yvlA-1oedB:
undetectable		 2yvlA-1oedB:
21.64
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.
1rp0 THIAZOLE
BIOSYNTHETIC ENZYME

(Arabidopsis
thaliana) 		PF01946
(Thi4) 		5 THR A 239
GLY A 267
GLY A 263
SER A 262
ALA A  55
 None
 0.98A 2yvlA-1rp0A:
3.1		 2yvlA-1rp0A:
20.88
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.
1se8 SINGLE-STRAND
BINDING PROTEIN

(Deinococcus
radiodurans) 		PF00436
(SSB) 		5 GLY A  12
SER A 126
ALA A  15
VAL A 123
VAL A  77
 None
 0.94A 2yvlA-1se8A:
undetectable		 2yvlA-1se8A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1svv THREONINE ALDOLASE

(Leishmania
major) 		PF01212
(Beta_elim_lyase) 		5 ILE A 212
GLY A  74
GLY A 222
ALA A 224
LEU A 225
 None
 0.93A 2yvlA-1svvA:
undetectable		 2yvlA-1svvA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tdf THIOREDOXIN
REDUCTASE

(Escherichia
coli) 		PF07992
(Pyr_redox_2) 		5 ILE A 110
ILE A 109
GLY A 285
ALA A 283
ALA A 295
 None
None
FAD  A 500 (-3.1A)
None
FAD  A 500 (-3.6A)
 0.95A 2yvlA-1tdfA:
3.4		 2yvlA-1tdfA:
24.61
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.
1tdj BIOSYNTHETIC
THREONINE DEAMINASE

(Escherichia
coli) 		PF00291
(PALP)
PF00585
(Thr_dehydrat_C) 		5 ILE A 262
ILE A 263
ALA A 243
VAL A 244
PHE A 238
 None
 0.85A 2yvlA-1tdjA:
2.5		 2yvlA-1tdjA:
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.
1x1q TRYPTOPHAN SYNTHASE
BETA CHAIN

(Thermus
thermophilus) 		PF00291
(PALP) 		5 THR A 132
ILE A 209
GLY A 138
VAL A 168
VAL A 153
 None
 1.13A 2yvlA-1x1qA:
2.6		 2yvlA-1x1qA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xdi RV3303C-LPDA

(Mycobacterium
tuberculosis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 THR A 252
GLY A 268
GLY A 255
ALA A 271
VAL A 266
 None
 0.96A 2yvlA-1xdiA:
4.1		 2yvlA-1xdiA:
18.18
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.
1xg5 ARPG836

(Homo sapiens) 		PF00106
(adh_short) 		5 ILE A 146
ALA A 193
ALA A 233
VAL A 232
VAL A  16
 None
 0.91A 2yvlA-1xg5A:
6.8		 2yvlA-1xg5A:
20.39
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.
1yj8 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Plasmodium
falciparum) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 ILE A  36
GLY A  28
GLY A  30
ALA A  35
VAL A 111
 None
 1.01A 2yvlA-1yj8A:
5.8		 2yvlA-1yj8A:
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.
1zr6 GLUCOOLIGOSACCHARIDE
OXIDASE

(Sarocladium
strictum) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ILE A 306
GLY A  68
ALA A 132
LEU A 110
ALA A  65
 None
FAD  A 501 (-3.1A)
None
None
FAD  A 501 (-3.8A)
 1.04A 2yvlA-1zr6A:
undetectable		 2yvlA-1zr6A:
19.58
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.
2b2i AMMONIUM TRANSPORTER

(Archaeoglobus
fulgidus) 		PF00909
(Ammonium_transp) 		5 ILE A 318
GLY A 312
SER A 313
LEU A 319
ALA A 255
 None
 1.08A 2yvlA-2b2iA:
undetectable		 2yvlA-2b2iA:
20.60
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.
2bg9 ACETYLCHOLINE
RECEPTOR PROTEIN,
GAMMA CHAIN

(Torpedo
marmorata) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		5 ILE E 453
GLY E 461
ALA E 454
LEU E 455
PHE E 466
 None
 1.04A 2yvlA-2bg9E:
undetectable		 2yvlA-2bg9E:
20.82
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.
2bjr MFP2B

(Ascaris suum) 		PF12150
(MFP2b) 		5 ILE A 244
GLY A 326
GLY A 242
ALA A 253
ALA A 328
 None
 1.07A 2yvlA-2bjrA:
undetectable		 2yvlA-2bjrA:
22.07
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.
2hjs USG-1 PROTEIN
HOMOLOG

(Pseudomonas
aeruginosa) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 GLY A  11
GLY A  14
SER A  15
ALA A  19
LEU A  20
 None
DIO  A 407 (-3.5A)
DIO  A 407 ( 3.0A)
None
None
 0.80A 2yvlA-2hjsA:
3.0		 2yvlA-2hjsA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hxv DIAMINOHYDROXYPHOSPH
ORIBOSYLAMINOPYRIMID
INE DEAMINASE/
5-AMINO-6-(5-PHOSPHO
RIBOSYLAMINO)URACIL
REDUCTASE

(Thermotoga
maritima) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		5 ILE A 162
GLY A 193
GLY A 282
VAL A 190
VAL A 197
 NDP  A 400 (-3.8A)
NDP  A 400 (-3.5A)
NDP  A 400 ( 3.8A)
None
None
 0.88A 2yvlA-2hxvA:
undetectable		 2yvlA-2hxvA:
21.77
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.
2qae DIHYDROLIPOYL
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 142
ILE A 141
GLY A 313
ALA A 311
VAL A  16
 None
None
FAD  A 480 (-3.4A)
None
None
 0.99A 2yvlA-2qaeA:
3.0		 2yvlA-2qaeA:
23.18
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.
2qpq PROTEIN BUG27

(Bordetella
pertussis) 		PF03401
(TctC) 		5 THR A  15
ILE A  13
ILE A  12
GLY A 231
LEU A  68
 None
 0.84A 2yvlA-2qpqA:
undetectable		 2yvlA-2qpqA:
24.83
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.
2raf PUTATIVE
DINUCLEOTIDE-BINDING
OXIDOREDUCTASE

(Lactobacillus
plantarum) 		PF03807
(F420_oxidored) 		5 ILE A  15
GLY A   7
GLY A   9
ALA A  14
VAL A  46
 None
NAP  A 200 ( 3.5A)
NAP  A 200 ( 3.2A)
None
NAP  A 200 ( 4.1A)
 1.03A 2yvlA-2rafA:
3.4		 2yvlA-2rafA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vcy TRANS-2-ENOYL-COA
REDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 105
GLY A 136
ALA A  45
LEU A  46
ALA A 133
 None
 1.04A 2yvlA-2vcyA:
6.1		 2yvlA-2vcyA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vos FOLYLPOLYGLUTAMATE
SYNTHASE PROTEIN
FOLC

(Mycobacterium
tuberculosis) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ILE A 470
GLY A 472
SER A 473
ALA A 477
VAL A 389
 None
 1.04A 2yvlA-2vosA:
3.3		 2yvlA-2vosA:
19.11
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.
2vxy CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 ILE A 151
GLY A 104
ALA A 147
ALA A  26
VAL A 131
 None
 1.05A 2yvlA-2vxyA:
4.1		 2yvlA-2vxyA:
21.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2yvl HYPOTHETICAL PROTEIN

(Aquifex
aeolicus) 		PF08704
(GCD14) 		7 THR A  72
ILE A  74
GLY A 101
SER A 102
ALA A 104
VAL A 122
PHE A 145
 SAM  A 601 (-3.9A)
SAM  A 601 ( 4.6A)
SAM  A 601 (-3.5A)
SAM  A 601 (-4.6A)
SAM  A 601 (-3.2A)
SAM  A 601 ( 4.5A)
None
 1.38A 2yvlA-2yvlA:
40.6		 2yvlA-2yvlA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2yvl HYPOTHETICAL PROTEIN

(Aquifex
aeolicus) 		PF08704
(GCD14) 		12 THR A  72
ILE A  74
ILE A  75
GLY A  99
GLY A 101
SER A 102
ALA A 104
LEU A 105
ALA A 121
VAL A 122
PHE A 149
VAL A 166
 SAM  A 601 (-3.9A)
SAM  A 601 ( 4.6A)
SAM  A 601 (-4.1A)
SAM  A 601 (-3.2A)
SAM  A 601 (-3.5A)
SAM  A 601 (-4.6A)
SAM  A 601 (-3.2A)
SAM  A 601 (-4.6A)
SAM  A 601 (-3.9A)
SAM  A 601 ( 4.5A)
None
SAM  A 601 ( 4.3A)
 0.03A 2yvlA-2yvlA:
40.6		 2yvlA-2yvlA:
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.
2z6i TRANS-2-ENOYL-ACP
REDUCTASE II

(Streptococcus
pneumoniae) 		PF03060
(NMO) 		6 ILE A 285
ILE A 171
GLY A 191
ALA A 172
ALA A  24
VAL A  23
 FMN  A 401 ( 4.9A)
None
FMN  A 401 (-3.2A)
None
None
None
 1.23A 2yvlA-2z6iA:
undetectable		 2yvlA-2z6iA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bsf AT4G34840

(Arabidopsis
thaliana) 		PF01048
(PNP_UDP_1) 		5 ILE A  93
SER A  89
ALA A  92
ALA A 194
VAL A 193
 None
 1.09A 2yvlA-3bsfA:
undetectable		 2yvlA-3bsfA:
24.37
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.
3cjp PREDICTED
AMIDOHYDROLASE,
DIHYDROOROTASE
FAMILY

(Clostridium
acetobutylicum) 		PF04909
(Amidohydro_2) 		5 ILE A   5
ILE A   4
GLY A 225
LEU A 254
ALA A 204
 None
 0.99A 2yvlA-3cjpA:
undetectable		 2yvlA-3cjpA:
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.
3emv URIDINE
PHOSPHORYLASE,
PUTATIVE

(Plasmodium
vivax) 		PF01048
(PNP_UDP_1) 		5 ILE A  74
GLY A  66
GLY A  68
SER A  69
ALA A  73
 None
 0.90A 2yvlA-3emvA:
undetectable		 2yvlA-3emvA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gd8 AQUAPORIN-4

(Homo sapiens) 		PF00230
(MIP) 		5 ILE A 189
GLY A  93
GLY A  89
ALA A 190
ALA A  37
 GOL  A   4 (-3.7A)
None
GOL  A   4 ( 3.8A)
GOL  A   4 (-3.4A)
None
 1.05A 2yvlA-3gd8A:
undetectable		 2yvlA-3gd8A:
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.
3gl1 HEAT SHOCK PROTEIN
SSB1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		5 ILE A 166
GLY A 168
ALA A 123
LEU A 126
PHE A   6
 None
 1.10A 2yvlA-3gl1A:
undetectable		 2yvlA-3gl1A:
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.
3h9j MCCB PROTEIN

(Escherichia
coli) 		PF00899
(ThiF) 		5 ILE A 307
ILE A 310
GLY A 140
GLY A 138
SER A 137
 None
 0.97A 2yvlA-3h9jA:
5.4		 2yvlA-3h9jA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		5 GLY A 177
GLY A 179
SER A 180
LEU A 183
VAL A 244
 SAH  A 401 (-3.9A)
SAH  A 401 (-3.6A)
None
None
SAH  A 401 ( 4.5A)
 0.68A 2yvlA-3i58A:
11.9		 2yvlA-3i58A:
20.23
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.
3ibp CHROMOSOME PARTITION
PROTEIN MUKB

(Escherichia
coli) 		PF16330
(MukB_hinge) 		5 GLY A 650
SER A 798
ALA A 802
ALA A 655
VAL A 656
 None
 0.93A 2yvlA-3ibpA:
undetectable		 2yvlA-3ibpA:
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.
3k2n SIGMA-54-DEPENDENT
TRANSCRIPTIONAL
REGULATOR

(Chlorobaculum
tepidum) 		PF13185
(GAF_2) 		5 ILE A 157
GLY A 130
ALA A 158
ALA A  50
VAL A  39
 None
 1.02A 2yvlA-3k2nA:
undetectable		 2yvlA-3k2nA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l4k DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		5 ILE A 745
GLY A 709
SER A 729
ALA A 725
VAL A 813
 None
 1.11A 2yvlA-3l4kA:
undetectable		 2yvlA-3l4kA:
15.40
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.
3l6c SERINE RACEMASE

(Rattus
norvegicus) 		PF00291
(PALP) 		5 THR A  81
ILE A 125
GLY A  85
GLY A  88
ALA A 123
 None
None
MLI  A 341 ( 4.9A)
None
None
 0.91A 2yvlA-3l6cA:
2.7		 2yvlA-3l6cA:
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.
3l6r SERINE RACEMASE

(Homo sapiens) 		PF00291
(PALP) 		5 THR A  81
ILE A 125
GLY A  85
GLY A  88
ALA A 123
 None
None
MLI  A 347 ( 4.8A)
None
None
 0.89A 2yvlA-3l6rA:
2.8		 2yvlA-3l6rA:
21.11
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.
3lga SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
abyssi) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		6 ILE A  76
GLY A 101
GLY A 103
SER A 104
ALA A 106
LEU A 107
 SAH  A 301 (-4.3A)
SAH  A 301 (-3.1A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.4A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.3A)
 0.31A 2yvlA-3lgaA:
25.9		 2yvlA-3lgaA:
28.30
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.
3mve UPF0255 PROTEIN
VV1_0328

(Vibrio
vulnificus) 		PF06500
(DUF1100) 		5 GLY A 270
ALA A 277
LEU A 281
ALA A 405
VAL A 196
 None
 1.00A 2yvlA-3mveA:
undetectable		 2yvlA-3mveA:
21.89
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.
3nix FLAVOPROTEIN/DEHYDRO
GENASE

(Cytophaga
hutchinsonii) 		PF01494
(FAD_binding_3) 		5 THR A 293
GLY A 319
GLY A 315
SER A 314
ALA A  21
 None
 0.92A 2yvlA-3nixA:
2.5		 2yvlA-3nixA:
21.32
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.
3now UNC-45 PROTEIN,
SD10334P

(Drosophila
melanogaster) 		PF11701
(UNC45-central) 		5 ILE A 828
GLY A 865
LEU A 826
ALA A 906
VAL A 861
 None
 1.08A 2yvlA-3nowA:
undetectable		 2yvlA-3nowA:
14.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pb0 DIHYDRODIPICOLINATE
SYNTHASE

(Thermotoga
maritima) 		PF00701
(DHDPS) 		5 THR A 194
ILE A 206
GLY A   4
GLY A 204
ALA A 222
 None
 1.09A 2yvlA-3pb0A:
undetectable		 2yvlA-3pb0A:
23.99
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.
3t4w MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Sulfitobacter
sp. NAS-14.1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 290
GLY A  38
GLY A  96
SER A  95
VAL A 316
 None
 0.83A 2yvlA-3t4wA:
undetectable		 2yvlA-3t4wA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v76 FLAVOPROTEIN

(Sinorhizobium
meliloti) 		PF03486
(HI0933_like) 		5 GLY A 414
GLY A 410
SER A 409
ALA A  75
ALA A  21
 None
 0.94A 2yvlA-3v76A:
3.1		 2yvlA-3v76A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v9a ESTERASE/LIPASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 THR A  85
ILE A  83
GLY A  75
GLY A  81
SER A  82
 None
 1.06A 2yvlA-3v9aA:
3.0		 2yvlA-3v9aA:
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.
4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 GLY A 187
GLY A 189
ALA A 192
LEU A 193
VAL A 253
 SAM  A1349 (-3.6A)
SAM  A1349 ( 3.8A)
None
None
SAM  A1349 ( 4.7A)
 0.71A 2yvlA-4a6eA:
12.2		 2yvlA-4a6eA:
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.
4b7x PROBABLE
OXIDOREDUCTASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 ILE A 228
GLY A 155
SER A 154
ALA A 159
VAL A 160
 None
NAP  A 400 ( 4.7A)
None
NAP  A 400 (-3.4A)
NAP  A 400 (-3.8A)
 0.79A 2yvlA-4b7xA:
8.9		 2yvlA-4b7xA:
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.
4bko PUTATIVE REDUCTASE
BURPS305_1051

(Burkholderia
pseudomallei) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 THR A 250
ILE A 205
GLY A 198
ALA A 194
VAL A 193
 None
 1.09A 2yvlA-4bkoA:
5.7		 2yvlA-4bkoA:
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.
4ds3 PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Brucella
melitensis) 		PF00551
(Formyl_trans_N) 		5 GLY A  14
SER A  15
ALA A  19
LEU A  20
PHE A  37
 GOL  A 305 (-3.7A)
GOL  A 305 (-4.7A)
None
None
None
 1.10A 2yvlA-4ds3A:
3.7		 2yvlA-4ds3A:
20.64
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.
4eip PUTATIVE
FAD-MONOOXYGENASE

(Lechevalieria
aerocolonigenes) 		PF01494
(FAD_binding_3) 		5 GLY A  13
GLY A  15
ALA A  20
LEU A  21
ALA A  37
 FAD  A 602 (-3.1A)
FAD  A 602 (-3.7A)
None
None
FAD  A 602 (-4.0A)
 0.86A 2yvlA-4eipA:
3.0		 2yvlA-4eipA:
16.91
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.
4ha6 PYRIDOXINE 4-OXIDASE

(Mesorhizobium
loti) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A  24
GLY A  26
SER A  27
LEU A  32
ALA A  49
 FAD  A 601 (-3.2A)
FAD  A 601 (-3.2A)
FAD  A 601 (-2.8A)
None
FAD  A 601 (-3.6A)
 1.01A 2yvlA-4ha6A:
3.1		 2yvlA-4ha6A:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j4w NUCLEOCAPSID

(Punta Toro
phlebovirus) 		PF05733
(Tenui_N) 		5 ILE A 135
GLY A 129
ALA A 134
ALA A 118
PHE A 148
 None
 1.11A 2yvlA-4j4wA:
undetectable		 2yvlA-4j4wA:
22.94
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.
4jnq THIOREDOXIN
REDUCTASE

(Brucella
melitensis) 		PF07992
(Pyr_redox_2) 		5 ILE A 111
ILE A 110
GLY A 285
ALA A 283
ALA A 295
 None
None
FDA  A 401 (-3.4A)
None
FDA  A 401 (-3.4A)
 0.98A 2yvlA-4jnqA:
3.4		 2yvlA-4jnqA:
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.
4lji CYTOCHROME
C-550-LIKE PROTEIN

(Thermosynechococcus
elongatus) 		PF14495
(Cytochrom_C550) 		5 ILE A 121
GLY A  53
GLY A 132
SER A  65
ALA A 125
 None
 1.11A 2yvlA-4ljiA:
undetectable		 2yvlA-4ljiA:
17.34
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.
4n0r PUTATIVE GLYCOSIDE
HYDROLASE

(Bacteroides
vulgatus) 		PF13204
(DUF4038)
PF16586
(DUF5060) 		5 ILE A 423
GLY A 380
GLY A 384
PHE A 376
VAL A 387
 None
 1.14A 2yvlA-4n0rA:
undetectable		 2yvlA-4n0rA:
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.
4pcv BDCA (YJGI)

(Escherichia
coli) 		PF13561
(adh_short_C2) 		5 ILE A 130
GLY A  14
ALA A  55
VAL A  56
VAL A  23
 None
 1.08A 2yvlA-4pcvA:
8.2		 2yvlA-4pcvA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rgg PUTATIVE PHAGE
STRUCTURAL PROTEIN

(Lactococcus
phage 1358) 		no annotation 5 ILE A 146
GLY A  59
LEU A 136
ALA A  25
VAL A  56
 None
 1.10A 2yvlA-4rggA:
undetectable		 2yvlA-4rggA:
20.91
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.
4ru5 TAILSPIKE GP27

(Pseudomonas
phage phi297) 		no annotation 5 ILE A 545
ILE A 546
GLY A 519
ALA A 516
LEU A 517
 None
 1.14A 2yvlA-4ru5A:
undetectable		 2yvlA-4ru5A:
15.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tkt AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A3345
GLY A3388
ALA A3506
LEU A3505
PHE A3268
 None
 0.94A 2yvlA-4tktA:
undetectable		 2yvlA-4tktA:
17.00
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.
4up3 THIOREDOXIN
REDUCTASE

(Entamoeba
histolytica) 		PF07992
(Pyr_redox_2) 		5 ILE A 115
ILE A 114
GLY A 283
ALA A 281
ALA A 293
 None
None
FAD  A1315 (-3.3A)
None
FAD  A1315 (-3.5A)
 0.91A 2yvlA-4up3A:
4.7		 2yvlA-4up3A:
23.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w99 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADPH, B-SPECIFIC]
1, MITOCHONDRIAL

(Candida
tropicalis) 		no annotation 5 THR A 131
ILE A 123
SER A  65
ALA A 167
VAL A 127
 None
 1.06A 2yvlA-4w99A:
6.8		 2yvlA-4w99A:
22.25
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.
4wfh POTASSIUM CHANNEL
SUBFAMILY K MEMBER 4

(Homo sapiens) 		PF07885
(Ion_trans_2) 		5 ILE A 176
GLY A 169
SER A 170
VAL A 164
PHE A 272
 None
 1.01A 2yvlA-4wfhA:
undetectable		 2yvlA-4wfhA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xox 3-OXOACYL-ACP
SYNTHASE

(Vibrio cholerae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 187
GLY A 103
ALA A 107
ALA A 185
VAL A 101
 None
 0.99A 2yvlA-4xoxA:
undetectable		 2yvlA-4xoxA:
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.
4z7l CAS6B

(Methanococcus
maripaludis) 		PF17262
(DUF5328) 		5 ILE A  56
ILE A  57
GLY A 211
LEU A  62
VAL A 215
 None
 1.12A 2yvlA-4z7lA:
undetectable		 2yvlA-4z7lA:
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.
4zjp MONOSACCHARIDE-TRANS
PORTING ATPASE

(Actinobacillus
succinogenes) 		PF13407
(Peripla_BP_4) 		5 ILE A 172
GLY A 165
GLY A 132
ALA A 171
ALA A 160
 None
None
None
None
RIP  A 301 (-3.3A)
 1.07A 2yvlA-4zjpA:
4.9		 2yvlA-4zjpA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a42 UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF11974
(MG1) 		5 ILE A 777
GLY A 785
GLY A 783
ALA A 779
ALA A 314
 None
 1.06A 2yvlA-5a42A:
undetectable		 2yvlA-5a42A:
9.42
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.
5bnn CAPSID PROTEIN VP1
CAPSID PROTEIN VP3

(Enterovirus D;
Enterovirus D) 		PF00073
(Rhv)
PF00073
(Rhv) 		5 THR C 164
ILE C 166
ILE C 167
LEU C 113
VAL A  29
 None
 1.09A 2yvlA-5bnnC:
undetectable		 2yvlA-5bnnC:
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.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A

(Homo sapiens) 		PF08704
(GCD14) 		5 THR A  84
ILE A  86
GLY A 111
GLY A 113
SER A 114
 SAH  A 301 (-3.4A)
SAH  A 301 ( 4.2A)
SAH  A 301 (-3.2A)
SAH  A 301 (-2.9A)
SAH  A 301 (-4.4A)
 0.29A 2yvlA-5ccxA:
26.0		 2yvlA-5ccxA:
26.78
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.
5cee NAD-DEPENDENT MALIC
ENZYME

(Aster yellows
witches'-broom
phytoplasma) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ILE A 199
GLY A 191
GLY A 193
SER A 194
ALA A 198
 None
NAD  A 401 (-3.0A)
NAD  A 401 (-3.4A)
NAD  A 401 (-4.5A)
None
 0.84A 2yvlA-5ceeA:
5.2		 2yvlA-5ceeA:
21.89
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.
5cqf L-LYSINE
6-MONOOXYGENASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13434
(K_oxygenase) 		5 GLY A  17
GLY A  19
ALA A  24
LEU A  25
ALA A  49
 None
 0.81A 2yvlA-5cqfA:
2.7		 2yvlA-5cqfA:
19.60
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.
5e26 PANTOTHENATE KINASE
2, MITOCHONDRIAL

(Homo sapiens) 		PF03630
(Fumble) 		5 ILE A 346
ILE A 349
GLY A 558
ALA A 313
PHE A 214
 None
 0.77A 2yvlA-5e26A:
undetectable		 2yvlA-5e26A:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eo7 PREDICTED PROTEIN

(Aspergillus
oryzae) 		PF07938
(Fungal_lectin) 		5 ILE A  15
ILE A 266
ALA A 267
ALA A 129
PHE A 180
 None
 1.05A 2yvlA-5eo7A:
undetectable		 2yvlA-5eo7A:
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.
5ey5 LBCA-B

(synthetic
construct) 		PF00291
(PALP) 		5 THR B 107
ILE B 184
GLY B 113
VAL B 143
VAL B 128
 None
 1.09A 2yvlA-5ey5B:
undetectable		 2yvlA-5ey5B:
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.
5ez3 ACYL-COA
DEHYDROGENASE

(Brucella
melitensis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		5 ILE A 544
ILE A 545
ALA A 350
LEU A 349
ALA A 315
 None
 0.96A 2yvlA-5ez3A:
undetectable		 2yvlA-5ez3A:
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.
5h6i PROTEIN B

(Streptococcus
agalactiae) 		no annotation 5 GLY A 105
SER A 106
ALA A 110
LEU A 111
ALA A  47
 None
 1.09A 2yvlA-5h6iA:
undetectable		 2yvlA-5h6iA:
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.
5hb1 NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		PF03177
(Nucleoporin_C) 		5 ILE A 611
SER A 671
ALA A 675
LEU A 676
ALA A 749
 None
 0.93A 2yvlA-5hb1A:
undetectable		 2yvlA-5hb1A:
15.38
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.
5iw7 RIBOSOME BIOGENESIS
PROTEIN
TSR1,RIBOSOME
BIOGENESIS PROTEIN
TSR1

(Saccharomyces
cerevisiae) 		PF04950
(RIBIOP_C)
PF08142
(AARP2CN) 		5 ILE A 486
ILE A 702
ALA A 701
VAL A 727
VAL A 769
 None
 1.07A 2yvlA-5iw7A:
undetectable		 2yvlA-5iw7A:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l2p ARYLESTERASE

(Sulfolobus
solfataricus) 		PF07859
(Abhydrolase_3) 		5 THR A  93
ILE A  91
GLY A  84
GLY A  89
SER A  90
 None
 1.00A 2yvlA-5l2pA:
3.0		 2yvlA-5l2pA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ltv CHEMOTACTIC
TRANSDUCER PCTC

(Pseudomonas
aeruginosa) 		PF02743
(dCache_1) 		5 THR A 144
ILE A 142
GLY A 175
ALA A 135
LEU A 161
 None
 1.08A 2yvlA-5ltvA:
undetectable		 2yvlA-5ltvA:
23.10
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.
5n6y NITROGENASE
VANADIUM-IRON
PROTEIN BETA CHAIN

(Azotobacter
vinelandii) 		no annotation 5 THR E 114
ILE E 112
ILE E 111
GLY E  52
ALA E  84
 CLF  E 501 (-4.2A)
None
None
None
None
 0.91A 2yvlA-5n6yE:
4.9		 2yvlA-5n6yE:
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.
5olt -

(-) 		no annotation 5 THR A 466
GLY A 274
SER A 273
ALA A 281
VAL A 537
 None
 0.97A 2yvlA-5oltA:
undetectable		 2yvlA-5oltA:
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.
5u63 THIOREDOXIN
REDUCTASE

(Haemophilus
influenzae) 		PF07992
(Pyr_redox_2) 		5 ILE A 111
ILE A 110
GLY A 285
ALA A 283
ALA A 295
 None
None
FAD  A 401 (-3.1A)
None
FAD  A 401 (-3.4A)
 0.94A 2yvlA-5u63A:
4.6		 2yvlA-5u63A:
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.
5w1j THIOREDOXIN
GLUTATHIONE
REDUCTASE

(Echinococcus
granulosus) 		no annotation 5 GLY A 116
GLY A 118
SER A 119
ALA A 123
LEU A 124
 FAD  A 601 (-3.1A)
FAD  A 601 (-2.9A)
FAD  A 601 (-3.8A)
None
None
 0.93A 2yvlA-5w1jA:
3.0		 2yvlA-5w1jA:
18.48
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.
5w8x LIPID-A-DISACCHARIDE
SYNTHASE

(Escherichia
coli) 		no annotation 5 GLY A  22
GLY A  18
SER A  17
ALA A  42
PHE A  38
 None
 1.07A 2yvlA-5w8xA:
4.2		 2yvlA-5w8xA:
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.
5y50 PROTEIN
DETOXIFICATION 14

(Arabidopsis
thaliana) 		no annotation 5 GLY A 202
GLY A 204
SER A 205
ALA A 208
LEU A 197
 None
 1.07A 2yvlA-5y50A:
undetectable		 2yvlA-5y50A:
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.
6bwt THIOREDOXIN
REDUCTASE

(Francisella
tularensis) 		no annotation 5 ILE A 109
ILE A 108
GLY A 283
ALA A 281
ALA A 293
 None
None
SO4  A 402 (-3.5A)
None
None
 0.96A 2yvlA-6bwtA:
5.0		 2yvlA-6bwtA:
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 5 ILE A 197
GLY A 192
GLY A 194
SER A 195
ALA A 215
 FTG  A 501 (-4.7A)
FTG  A 501 (-3.2A)
FTG  A 501 ( 3.9A)
None
FTG  A 501 (-3.4A)
 1.11A 2yvlA-6d2lA:
10.7		 2yvlA-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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
9, MITOCHONDRIAL

(Mus musculus) 		no annotation 5 ILE P 164
GLY P 213
ALA P 208
VAL P 207
VAL P 215
 None
 0.85A 2yvlA-6g2jP:
undetectable		 2yvlA-6g2jP:
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.
1j0n XANTHAN LYASE

(Bacillus sp.
GL1) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 GLU A 122
ASP A 129
ASP A 168
TYR A 177
 None
 1.27A 2yvlA-1j0nA:
0.0		 2yvlA-1j0nA:
15.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o54 SAM-DEPENDENT
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF08704
(GCD14) 		4 GLU A 132
ASP A 160
ASP A 176
TYR A 183
 None
 0.68A 2yvlA-1o54A:
27.7		 2yvlA-1o54A:
35.61
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.
1tkp IRON-RICH
DPSA-HOMOLOG PROTEIN

(Halobacterium
salinarum) 		PF00210
(Ferritin) 		4 GLU A  69
ASP A  62
ASP A 161
TYR A 169
 None
 1.46A 2yvlA-1tkpA:
undetectable		 2yvlA-1tkpA:
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.
2k9x UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF09138
(Urm1) 		4 GLU A  94
ASP A  91
ASP A  76
TYR A  85
 None
 0.96A 2yvlA-2k9xA:
0.0		 2yvlA-2k9xA:
21.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2yvl HYPOTHETICAL PROTEIN

(Aquifex
aeolicus) 		PF08704
(GCD14) 		4 GLU A 120
ASP A 148
ASP A 165
TYR A 172
 SAM  A 601 (-2.7A)
SAM  A 601 (-3.1A)
SAM  A 601 (-3.4A)
SAM  A 601 (-4.0A)
 0.00A 2yvlA-2yvlA:
40.6		 2yvlA-2yvlA:
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.
3jd5 28S RIBOSOMAL
PROTEIN S27,
MITOCHONDRIAL

(Bos taurus) 		PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		4 GLU e 174
ASP e 372
ASP e 140
TYR e 142
 None
 1.40A 2yvlA-3jd5e:
0.0		 2yvlA-3jd5e:
19.66
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.
3nat UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF11217
(DUF3013) 		4 GLU A  83
ASP A  81
ASP A  28
TYR A  72
 None
CIT  A 162 ( 3.3A)
None
ZN  A 165 ( 4.9A)
 1.16A 2yvlA-3natA:
0.0		 2yvlA-3natA:
24.60
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.
3tdu DCN1-LIKE PROTEIN 1

(Homo sapiens) 		PF03556
(Cullin_binding) 		4 GLU A 135
ASP A  92
ASP A 132
TYR A  72
 None
 1.48A 2yvlA-3tduA:
0.0		 2yvlA-3tduA:
22.10
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.
3wx7 CHITIN
OLIGOSACCHARIDE
DEACETYLASE

(Vibrio
parahaemolyticus) 		PF01522
(Polysacc_deac_1) 		4 GLU A  73
ASP A  66
ASP A  36
TYR A  95
 None
None
ZN  A 902 ( 2.5A)
None
 1.37A 2yvlA-3wx7A:
1.3		 2yvlA-3wx7A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nz5 DEACETYLASE DA1

(Vibrio cholerae) 		PF01522
(Polysacc_deac_1) 		4 GLU A  77
ASP A  70
ASP A  40
TYR A  99
 None
None
CD  A 502 ( 2.6A)
None
 1.39A 2yvlA-4nz5A:
0.0		 2yvlA-4nz5A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oqa POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		PF00645
(zf-PARP)
PF08063
(PADR1) 		4 GLU A  76
ASP A 285
ASP A 307
TYR A 309
 None
 1.50A 2yvlA-4oqaA:
undetectable		 2yvlA-4oqaA:
22.59
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.
4p5y GLYCOSYL HYDROLASE,
FAMILY
31/FIBRONECTIN TYPE
III DOMAIN PROTEIN

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C) 		4 GLU A 156
ASP A  75
ASP A  17
TYR A 160
 None
 0.85A 2yvlA-4p5yA:
undetectable		 2yvlA-4p5yA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dbk TRANSCRIPTIONAL
REGULATOR/TPR DOMAIN
PROTEIN

(Bacillus
thuringiensis) 		PF13424
(TPR_12) 		4 GLU A  70
ASP A  77
ASP A 107
TYR A 113
 None
 1.06A 2yvlA-5dbkA:
undetectable		 2yvlA-5dbkA:
22.67
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.
5l09 QUORUM-SENSING
TRANSCRIPTIONAL
ACTIVATOR

(Yersinia
enterocolitica) 		PF03472
(Autoind_bind) 		4 GLU A   9
ASP A   7
ASP A  14
TYR A 162
 None
 1.44A 2yvlA-5l09A:
undetectable		 2yvlA-5l09A:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nur ABC TRANSPORTER
PERMEASE

(Klebsiella
pneumoniae) 		no annotation 4 GLU D 200
ASP D 207
ASP D  15
TYR D 129
 None
 1.44A 2yvlA-5nurD:
undetectable		 2yvlA-5nurD:
20.15