SIMILAR PATTERNS OF AMINO ACIDS FOR 3VLN_A_ASCA904_0

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.
1aw9 GLUTATHIONE
S-TRANSFERASE III

(Zea mays) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ARG A  17
PRO A  56
GLU A  67
SER A  68
 None
 0.93A 3vlnA-1aw9A:
19.9		 3vlnA-1aw9A:
24.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1axd GLUTATHIONE
S-TRANSFERASE I

(Zea mays) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ARG A  16
PRO A  55
GLU A  66
SER A  67
 None
 0.96A 3vlnA-1axdA:
20.3		 3vlnA-1axdA:
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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		4 LEU A 818
PRO A 895
GLU A 822
SER A 821
 None
 1.37A 3vlnA-1dgjA:
undetectable		 3vlnA-1dgjA:
14.84
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.
1eu1 DIMETHYL SULFOXIDE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 LEU A 722
PRO A 724
GLU A 726
SER A 725
 None
 1.17A 3vlnA-1eu1A:
undetectable		 3vlnA-1eu1A:
15.12
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.
1gnw GLUTATHIONE
S-TRANSFERASE

(Arabidopsis
thaliana) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ARG A  16
PRO A  55
GLU A  66
SER A  67
 GTX  A 212 ( 4.8A)
GTX  A 212 (-4.6A)
GTX  A 212 (-2.3A)
GTX  A 212 (-2.7A)
 0.94A 3vlnA-1gnwA:
21.1		 3vlnA-1gnwA:
28.35
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.
1gwc GLUTATHIONE
S-TRANSFERASE TSI-1

(Aegilops
tauschii) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 PHE A  17
ARG A  20
PRO A  57
GLU A  68
SER A  69
 GTX  A1225 (-3.8A)
None
GTX  A1225 (-4.1A)
GTX  A1225 (-2.9A)
GTX  A1225 (-2.7A)
 0.47A 3vlnA-1gwcA:
23.9		 3vlnA-1gwcA:
29.07
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.
1oyj GLUTATHIONE
S-TRANSFERASE

(Oryza sativa) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 PHE A  17
ARG A  20
PRO A  57
GLU A  68
SER A  69
 GSH  A 799 (-4.0A)
None
GSH  A 799 (-4.2A)
GSH  A 799 (-2.7A)
GSH  A 799 (-2.6A)
 0.37A 3vlnA-1oyjA:
23.3		 3vlnA-1oyjA:
25.10
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.
1qou CEN

(Antirrhinum
majus) 		PF01161
(PBP) 		4 PHE A  42
LEU A  41
PRO A  43
SER A  44
 None
 1.36A 3vlnA-1qouA:
undetectable		 3vlnA-1qouA:
20.08
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.
1tzn ANTHRAX TOXIN
RECEPTOR 2

(Homo sapiens) 		PF03495
(Binary_toxB)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		4 PHE a1043
ARG a1040
LEU a1045
SER a1140
 None
 0.97A 3vlnA-1tzna:
undetectable		 3vlnA-1tzna:
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.
1u3i GLUTATHIONE
S-TRANSFERASE 28 KDA

(Schistosoma
mansoni) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 ARG A  16
LEU A  69
PRO A  54
SER A  71
 GSH  A 301 (-4.2A)
None
GSH  A 301 (-4.4A)
GSH  A 301 (-2.4A)
 1.35A 3vlnA-1u3iA:
17.2		 3vlnA-1u3iA:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w78 FOLC BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 LEU A 357
PRO A 356
GLU A 358
SER A 380
 None
 1.31A 3vlnA-1w78A:
undetectable		 3vlnA-1w78A:
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.
1wko TERMINAL FLOWER 1
PROTEIN

(Arabidopsis
thaliana) 		PF01161
(PBP) 		4 PHE A  47
LEU A  46
PRO A  48
SER A  49
 None
 1.33A 3vlnA-1wkoA:
undetectable		 3vlnA-1wkoA:
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.
1zmo HALOHYDRIN
DEHALOGENASE

(Arthrobacter
sp. AD2) 		PF13561
(adh_short_C2) 		4 PHE A 222
ARG A 227
LEU A 223
SER A 225
 None
 1.28A 3vlnA-1zmoA:
undetectable		 3vlnA-1zmoA:
23.02
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.
2bf6 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF13088
(BNR_2) 		4 ARG A 615
LEU A 590
PRO A 610
GLU A 585
 SIA  A1692 (-3.1A)
None
None
None
 1.19A 3vlnA-2bf6A:
undetectable		 3vlnA-2bf6A:
20.79
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.
2eq5 228AA LONG
HYPOTHETICAL
HYDANTOIN RACEMASE

(Pyrococcus
horikoshii) 		PF01177
(Asp_Glu_race) 		4 PHE A  31
LEU A  34
PRO A  32
GLU A  33
 None
 1.28A 3vlnA-2eq5A:
undetectable		 3vlnA-2eq5A:
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.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00456
(Transketolase_N) 		4 LEU A 196
PRO A 198
GLU A 237
SER A 238
 None
 1.01A 3vlnA-2g28A:
undetectable		 3vlnA-2g28A:
14.92
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.
2gfp MULTIDRUG RESISTANCE
PROTEIN D

(Escherichia
coli) 		PF07690
(MFS_1) 		4 PHE A 328
LEU A 331
PRO A 329
GLU A 326
 None
 1.19A 3vlnA-2gfpA:
2.7		 3vlnA-2gfpA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ifu GAMMA-SNAP

(Danio rerio) 		PF14938
(SNAP) 		4 PHE A 143
ARG A 148
LEU A 155
GLU A 154
 None
SO4  A 307 (-4.1A)
None
None
 1.32A 3vlnA-2ifuA:
undetectable		 3vlnA-2ifuA:
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.
2jl4 MALEYLPYRUVATE
ISOMERASE

(Ralstonia sp.
U2) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 ARG A  14
LEU A  51
PRO A  53
SER A  65
 GSH  A1213 (-4.2A)
GSH  A1213 (-3.6A)
GSH  A1213 ( 4.7A)
GSH  A1213 (-2.7A)
 0.85A 3vlnA-2jl4A:
19.4		 3vlnA-2jl4A:
26.39
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.
2kwx MATRIX PROTEIN 2

(Influenza A
virus) 		PF00599
(Flu_M2) 		4 PHE A  47
ARG A  53
LEU A  43
SER A  50
 None
 1.35A 3vlnA-2kwxA:
undetectable		 3vlnA-2kwxA:
12.56
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.
2oce HYPOTHETICAL PROTEIN
PA5201

(Pseudomonas
aeruginosa) 		PF00575
(S1)
PF09371
(Tex_N)
PF12836
(HHH_3)
PF16921
(Tex_YqgF) 		4 LEU A 338
PRO A 336
GLU A 397
SER A 395
 None
 1.06A 3vlnA-2oceA:
undetectable		 3vlnA-2oceA:
14.25
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.
2p88 MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Bacillus cereus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A  13
PRO A 324
GLU A  47
SER A 300
 None
 1.37A 3vlnA-2p88A:
undetectable		 3vlnA-2p88A:
19.15
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.
2z5l TYLACTONE SYNTHASE
STARTER MODULE AND
MODULES 1 & 2

(Streptomyces
fradiae) 		PF08659
(KR) 		4 PHE A 338
ARG A 102
LEU A 333
PRO A 335
 None
 1.39A 3vlnA-2z5lA:
undetectable		 3vlnA-2z5lA:
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.
3cem GLYCOGEN
PHOSPHORYLASE, LIVER
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		4 PHE A 479
LEU A 474
PRO A 476
GLU A 473
 None
 1.41A 3vlnA-3cemA:
undetectable		 3vlnA-3cemA:
15.43
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.
3dec BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 PHE A 634
LEU A 639
PRO A 667
SER A 637
 None
 1.02A 3vlnA-3decA:
undetectable		 3vlnA-3decA:
14.35
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.
3djl PROTEIN AIDB

(Escherichia
coli) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		4 LEU A 414
PRO A 412
GLU A 410
SER A 409
 None
 1.06A 3vlnA-3djlA:
2.1		 3vlnA-3djlA:
17.26
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.
3e4w PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
avium) 		PF00199
(Catalase) 		4 LEU A 193
PRO A 154
GLU A 191
SER A 156
 None
 1.31A 3vlnA-3e4wA:
undetectable		 3vlnA-3e4wA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fj4 MUCONATE
CYCLOISOMERASE

(Pseudomonas
protegens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 PHE A  76
ARG A  75
LEU A  80
PRO A  79
 None
 1.28A 3vlnA-3fj4A:
undetectable		 3vlnA-3fj4A:
23.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hpx 2-ISOPROPYLMALATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00682
(HMGL-like) 		4 PHE A 114
ARG A  80
LEU A 150
PRO A 115
 None
 1.33A 3vlnA-3hpxA:
undetectable		 3vlnA-3hpxA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i4k MUCONATE LACTONIZING
ENZYME

(Corynebacterium
glutamicum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 PHE A 331
LEU A 330
PRO A 333
GLU A 306
 PHE  A 331 ( 1.3A)
LEU  A 330 ( 0.6A)
PRO  A 333 ( 1.1A)
GLU  A 306 ( 0.5A)
 1.39A 3vlnA-3i4kA:
undetectable		 3vlnA-3i4kA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ir4 GLUTAREDOXIN 2

(Salmonella
enterica) 		PF04399
(Glutaredoxin2_C)
PF13417
(GST_N_3) 		4 PHE A  11
PRO A  49
GLU A  61
SER A  62
 GSH  A 216 (-3.8A)
GSH  A 216 (-4.3A)
GSH  A 216 (-3.2A)
GSH  A 216 (-2.6A)
 0.24A 3vlnA-3ir4A:
15.0		 3vlnA-3ir4A:
24.90
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.
3kfo NUCLEOPORIN NUP133

(Saccharomyces
cerevisiae) 		no annotation 4 ARG A1044
LEU A1002
PRO A1018
SER A1007
 None
 1.34A 3vlnA-3kfoA:
undetectable		 3vlnA-3kfoA:
20.74
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.
3kvn ESTERASE ESTA

(Pseudomonas
aeruginosa) 		no annotation 4 LEU X 312
PRO X 309
GLU X 311
SER X 307
 None
 1.16A 3vlnA-3kvnX:
undetectable		 3vlnA-3kvnX:
15.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kwl UNCHARACTERIZED
PROTEIN

(Helicobacter
pylori) 		no annotation 4 PHE A 466
LEU A 465
PRO A 468
SER A 253
 None
 1.40A 3vlnA-3kwlA:
undetectable		 3vlnA-3kwlA:
19.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lfl GLUTATHIONE
S-TRANSFERASE
OMEGA-1

(Homo sapiens) 		PF13417
(GST_N_3)
PF14497
(GST_C_3) 		6 PHE A  34
ARG A  37
LEU A  71
PRO A  73
GLU A  85
SER A  86
 GSH  A 241 (-3.6A)
None
GSH  A 241 (-3.6A)
GSH  A 241 (-4.5A)
GSH  A 241 (-3.0A)
GSH  A 241 (-2.5A)
 0.31A 3vlnA-3lflA:
36.9		 3vlnA-3lflA:
99.17
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.
3lsz GLUTATHIONE
S-TRANSFERASE

(Rhodobacter
sphaeroides) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ARG A  14
PRO A  64
GLU A  75
SER A  76
 GSH  A 300 ( 4.8A)
GSH  A 300 ( 4.6A)
GSH  A 300 (-3.1A)
GSH  A 300 (-2.7A)
 0.68A 3vlnA-3lszA:
18.3		 3vlnA-3lszA:
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.
3msq PUTATIVE UBIQUINONE
BIOSYNTHESIS PROTEIN

(Nostoc
punctiforme) 		PF05019
(Coq4) 		4 PHE A  19
ARG A  34
LEU A  20
SER A  22
 None
 1.19A 3vlnA-3msqA:
undetectable		 3vlnA-3msqA:
21.96
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.
3naw SECRETED EFFECTOR
PROTEIN

(Escherichia
coli) 		PF00805
(Pentapeptide)
PF13979
(SopA_C)
PF13981
(SopA) 		4 PHE A 272
LEU A 271
GLU A 273
SER A 275
 None
 1.40A 3vlnA-3nawA:
2.3		 3vlnA-3nawA:
17.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q19 GLUTATHIONE
S-TRANSFERASE
OMEGA-2

(Homo sapiens) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 ARG A  37
PRO A  73
GLU A  85
SER A  86
 None
GSH  A 240 (-4.8A)
GSH  A 240 (-3.7A)
GSH  A 240 (-2.7A)
 0.81A 3vlnA-3q19A:
33.1		 3vlnA-3q19A:
64.90
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.
3q4d MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY
POSSIBLE
CHLOROMUCONATE
CYCLOISOMERASE

(Cytophaga
hutchinsonii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A 295
PRO A 322
GLU A 296
SER A 297
 None
 1.39A 3vlnA-3q4dA:
undetectable		 3vlnA-3q4dA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tcv GCN5-RELATED
N-ACETYLTRANSFERASE

(Brucella
abortus) 		PF13302
(Acetyltransf_3) 		4 PHE A 135
LEU A 195
PRO A 193
GLU A 191
 None
 1.00A 3vlnA-3tcvA:
undetectable		 3vlnA-3tcvA:
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.
3vn5 RIBONUCLEASE HIII

(Aquifex
aeolicus) 		PF01351
(RNase_HII) 		5 PHE A 214
ARG A 211
LEU A  88
GLU A  78
SER A  79
 None
 1.43A 3vlnA-3vn5A:
undetectable		 3vlnA-3vn5A:
24.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wd6 OMEGA-CLASS
GLUTATHIONE
S-TRANSFERASE

(Bombyx mori) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 ARG A  43
PRO A  79
GLU A  91
SER A  92
 None
GSH  A 306 (-4.3A)
GSH  A 306 (-3.0A)
GSH  A 306 (-2.6A)
 0.28A 3vlnA-3wd6A:
29.0		 3vlnA-3wd6A:
38.67
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.
4ags THIOL-DEPENDENT
REDUCTASE 1

(Leishmania
infantum) 		PF13417
(GST_N_3)
PF16865
(GST_C_5) 		5 PHE A  16
ARG A  19
PRO A  56
GLU A  70
SER A  71
 GSH  A1450 (-3.6A)
None
GSH  A1450 (-4.5A)
GSH  A1450 (-3.1A)
GSH  A1450 (-2.5A)
 0.38A 3vlnA-4agsA:
24.0		 3vlnA-4agsA:
18.05
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.
4ags THIOL-DEPENDENT
REDUCTASE 1

(Leishmania
infantum) 		PF13417
(GST_N_3)
PF16865
(GST_C_5) 		5 PHE A 242
ARG A 245
PRO A 281
GLU A 293
SER A 294
 GSH  A1449 (-3.5A)
None
GSH  A1449 (-4.4A)
GSH  A1449 (-3.1A)
GSH  A1449 (-2.5A)
 0.29A 3vlnA-4agsA:
24.0		 3vlnA-4agsA:
18.05
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.
4ayr MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E

(Caulobacter sp.
K31) 		PF01532
(Glyco_hydro_47) 		4 ARG A 356
LEU A 310
GLU A 346
SER A 347
 None
IFL  A 503 ( 4.7A)
None
None
 1.06A 3vlnA-4ayrA:
3.2		 3vlnA-4ayrA:
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.
4chb KELCH-LIKE PROTEIN 2

(Homo sapiens) 		PF01344
(Kelch_1) 		4 PHE A 361
ARG A 345
LEU A 365
SER A 391
 None
 1.33A 3vlnA-4chbA:
undetectable		 3vlnA-4chbA:
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.
4cp6 CHOLINE BINDING
PROTEIN PCPA

(Streptococcus
pneumoniae) 		PF13306
(LRR_5) 		4 PHE A 185
LEU A 233
GLU A 206
SER A 184
 None
 1.19A 3vlnA-4cp6A:
undetectable		 3vlnA-4cp6A:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f7k LACCASE

(uncultured
bacterium) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 PHE A 219
ARG A 217
LEU A 249
PRO A 251
 None
 1.35A 3vlnA-4f7kA:
undetectable		 3vlnA-4f7kA:
19.86
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.
4g10 GLUTATHIONE
S-TRANSFERASE
HOMOLOG

(Sphingomonas
paucimobilis) 		PF13417
(GST_N_3)
PF16865
(GST_C_5) 		5 PHE A  17
ARG A  20
PRO A  58
GLU A  70
SER A  71
 GSH  A 300 (-3.6A)
None
GSH  A 300 (-4.2A)
GSH  A 300 (-3.0A)
GSH  A 300 (-2.6A)
 0.46A 3vlnA-4g10A:
21.6		 3vlnA-4g10A:
26.03
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.
4hoj REGF PROTEIN

(Neisseria
gonorrhoeae) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 PHE A  12
ARG A  15
PRO A  51
SER A  63
 GSH  A 302 (-3.8A)
None
GSH  A 302 (-4.2A)
GSH  A 302 (-2.7A)
 0.37A 3vlnA-4hojA:
21.5		 3vlnA-4hojA:
29.24
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.
4hoj REGF PROTEIN

(Neisseria
gonorrhoeae) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 PHE A  12
PRO A  51
GLU A  62
SER A  63
 GSH  A 302 (-3.8A)
GSH  A 302 (-4.2A)
GSH  A 302 (-2.8A)
GSH  A 302 (-2.7A)
 0.66A 3vlnA-4hojA:
21.5		 3vlnA-4hojA:
29.24
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.
4iel GLUTATHIONE
S-TRANSFERASE,
N-TERMINAL DOMAIN
PROTEIN

(Burkholderia
ambifaria) 		PF13417
(GST_N_3) 		4 LEU A  52
PRO A  54
GLU A  65
SER A  66
 GSH  A 301 (-3.9A)
GSH  A 301 (-4.5A)
GSH  A 301 (-3.1A)
GSH  A 301 (-2.6A)
 0.46A 3vlnA-4ielA:
20.1		 3vlnA-4ielA:
24.62
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.
4igm 2-AMINO-3-CARBOXYMUC
ONATE-6-SEMIALDEHYDE
DECARBOXYLASE

(Homo sapiens) 		PF04909
(Amidohydro_2) 		4 PHE A 158
LEU A 157
PRO A 159
GLU A 156
 None
 1.08A 3vlnA-4igmA:
undetectable		 3vlnA-4igmA:
19.94
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.
4isd GLUTATHIONE
S-TRANSFERASE

(Burkholderia
glumae) 		PF13417
(GST_N_3)
PF14834
(GST_C_4) 		4 PHE A  18
PRO A  60
GLU A  71
SER A  72
 GSH  A 301 (-4.2A)
GSH  A 301 (-4.4A)
GSH  A 301 (-3.1A)
GSH  A 301 (-2.7A)
 0.34A 3vlnA-4isdA:
4.0		 3vlnA-4isdA:
24.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4izg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Paracoccus
denitrificans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 PHE A 158
LEU A 161
PRO A 159
SER A 134
 None
 1.29A 3vlnA-4izgA:
undetectable		 3vlnA-4izgA:
20.79
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.
4j2f GLUTATHIONE
S-TRANSFERASE

(Ricinus
communis) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 PHE A  15
ARG A  18
PRO A  55
GLU A  66
SER A  67
 None
 0.46A 3vlnA-4j2fA:
23.7		 3vlnA-4j2fA:
27.91
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.
4kh7 GLUTATHIONE
S-TRANSFERASE FAMILY
PROTEIN

(Salmonella
enterica) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		4 LEU A  52
PRO A  54
GLU A  67
SER A  68
 GSH  A 301 (-3.3A)
GSH  A 301 (-4.4A)
GSH  A 301 (-2.3A)
GSH  A 301 (-2.7A)
 0.51A 3vlnA-4kh7A:
21.4		 3vlnA-4kh7A:
25.10
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.
4mdp BETA-GLUCOSIDASE

(Humicola grisea) 		PF00232
(Glyco_hydro_1) 		4 ARG A  27
LEU A  85
PRO A  84
SER A  80
 None
 1.31A 3vlnA-4mdpA:
undetectable		 3vlnA-4mdpA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nhw GLUTATHIONE
S-TRANSFERASE

(Sinorhizobium
meliloti) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		5 ARG A  14
LEU A  62
PRO A  64
GLU A  75
SER A  76
 GSH  A 301 ( 4.9A)
GSH  A 301 (-3.7A)
GSH  A 301 (-4.2A)
GSH  A 301 (-3.0A)
GSH  A 301 (-2.5A)
 0.63A 3vlnA-4nhwA:
19.4		 3vlnA-4nhwA:
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.
4pqh GLUTATHIONE
TRANSFERASE LAMBDA1

(Populus
trichocarpa) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 ARG A  41
PRO A  80
GLU A  91
SER A  92
 None
GSH  A 300 (-4.1A)
GSH  A 300 (-3.0A)
GSH  A 300 (-2.6A)
 0.36A 3vlnA-4pqhA:
22.8		 3vlnA-4pqhA:
29.39
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.
4pqi IN2-1 FAMILY
PROTEIN, GLUTATHIONE
TRANSFERASE LAMBDA3

(Populus
trichocarpa) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 PHE A  43
ARG A  46
PRO A  85
GLU A  96
SER A  97
 GSH  A 301 (-3.8A)
None
GSH  A 301 (-4.5A)
GSH  A 301 (-3.2A)
GSH  A 301 (-2.7A)
 0.36A 3vlnA-4pqiA:
24.1		 3vlnA-4pqiA:
29.48
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.
4q5n GLUTHATIONE
S-TRANSFERASE BLO T
8 ISOFORM

(Blomia
tropicalis) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 PHE A  14
PRO A  65
GLU A  76
SER A  77
 GSH  A 401 (-4.2A)
GSH  A 401 ( 4.8A)
GSH  A 401 (-2.9A)
GSH  A 401 (-2.9A)
 0.51A 3vlnA-4q5nA:
18.8		 3vlnA-4q5nA:
23.97
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.
4qq7 PUTATIVE STRINGENT
STARVATION PROTEIN A

(Burkholderia
cenocepacia) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		4 PHE A  12
ARG A  15
PRO A  51
SER A  63
 GSH  A 301 (-3.7A)
None
GSH  A 301 (-4.2A)
GSH  A 301 (-2.5A)
 0.36A 3vlnA-4qq7A:
21.0		 3vlnA-4qq7A:
29.41
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.
4qq7 PUTATIVE STRINGENT
STARVATION PROTEIN A

(Burkholderia
cenocepacia) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		4 PHE A  12
PRO A  51
GLU A  62
SER A  63
 GSH  A 301 (-3.7A)
GSH  A 301 (-4.2A)
GSH  A 301 (-3.1A)
GSH  A 301 (-2.5A)
 0.81A 3vlnA-4qq7A:
21.0		 3vlnA-4qq7A:
29.41
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.
4ri6 PHI CLASS
GLUTATHIONE
TRANSFERASE GSTF1

(Populus tremula
x Populus
tremuloides) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ARG A  18
PRO A  57
GLU A  68
SER A  69
 None
GSH  A 500 (-4.5A)
GSH  A 500 (-2.3A)
GSH  A 500 (-2.6A)
 0.94A 3vlnA-4ri6A:
21.1		 3vlnA-4ri6A:
26.19
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.
4uqz HSIE1

(Pseudomonas
aeruginosa) 		PF07024
(ImpE) 		4 ARG A  52
LEU A  60
PRO A  55
SER A  53
 None
 1.40A 3vlnA-4uqzA:
undetectable		 3vlnA-4uqzA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uss GLUTATHIONYL
HYDROQUINONE
REDUCTASE

(Populus
trichocarpa) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 ARG A  54
PRO A 130
GLU A 144
SER A 145
 None
GSH  A 500 (-4.3A)
GSH  A 500 (-2.8A)
GSH  A 500 (-2.7A)
 0.80A 3vlnA-4ussA:
17.6		 3vlnA-4ussA:
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.
4wu0 SIMILAR TO YTER
(BACILUS SUBTILIS)

(Clostridium
acetobutylicum) 		PF07470
(Glyco_hydro_88) 		4 ARG A 200
LEU A 348
PRO A 350
SER A 265
 None
 0.82A 3vlnA-4wu0A:
undetectable		 3vlnA-4wu0A:
22.40
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.
5agy GLUTATHIONE
S-TRANSFERASE

(Glycine max) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		5 PHE A  15
ARG A  18
PRO A  55
GLU A  66
SER A  67
 GTB  A1222 (-3.8A)
GTB  A1222 ( 4.9A)
GTB  A1222 (-4.4A)
PO4  A1223 ( 2.9A)
GTB  A1222 (-2.7A)
 0.38A 3vlnA-5agyA:
24.1		 3vlnA-5agyA:
29.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bnz GLUTAMINE--TRNA
LIGASE

(Pseudomonas
aeruginosa) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 PHE A 388
ARG A 507
LEU A 387
SER A 465
 None
 1.16A 3vlnA-5bnzA:
undetectable		 3vlnA-5bnzA:
17.99
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.
5eco GLUTATHIONE
S-TRANSFERASE U20

(Arabidopsis
thaliana) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		4 ARG B  18
PRO B  55
GLU B  66
SER B  67
 None
None
None
GSH  B 301 (-3.2A)
 0.88A 3vlnA-5ecoB:
22.2		 3vlnA-5ecoB:
28.51
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.
5eco GLUTATHIONE
S-TRANSFERASE U20

(Arabidopsis
thaliana) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		4 PHE B  15
ARG B  18
PRO B  55
SER B  67
 GSH  B 301 (-3.7A)
None
None
GSH  B 301 (-3.2A)
 0.39A 3vlnA-5ecoB:
22.2		 3vlnA-5ecoB:
28.51
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.
5ey6 PHI CLASS
GLUTATHIONE
TRANSFERASE GSTF2

(Populus
trichocarpa) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ARG A  18
PRO A  57
GLU A  68
SER A  69
 None
 0.89A 3vlnA-5ey6A:
20.5		 3vlnA-5ey6A:
25.90
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.
5f05 PHI CLASS
GLUTATHIONE
TRANSFERASE GSTF5

(Populus
trichocarpa) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ARG A  17
PRO A  56
GLU A  67
SER A  68
 GSH  A 301 ( 4.9A)
GSH  A 301 ( 4.6A)
GSH  A 301 (-2.6A)
GSH  A 301 (-2.5A)
 0.96A 3vlnA-5f05A:
20.7		 3vlnA-5f05A:
26.02
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.
5f06 GLUTATHIONE
S-TRANSFERASE FAMILY
PROTEIN

(Populus
trichocarpa) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ARG A  16
PRO A  55
GLU A  66
SER A  67
 GSH  A 301 ( 4.9A)
GSH  A 301 ( 4.8A)
GSH  A 301 (-2.8A)
GSH  A 301 (-2.7A)
 0.98A 3vlnA-5f06A:
20.0		 3vlnA-5f06A:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f07 PUTATIVE GLUTATHIONE
S-TRANSFERASE FAMILY
PROTEIN

(Populus
trichocarpa) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ARG A  16
PRO A  55
GLU A  66
SER A  67
 None
GSH  A 301 ( 4.6A)
GSH  A 301 (-2.7A)
GSH  A 301 (-2.7A)
 0.92A 3vlnA-5f07A:
21.3		 3vlnA-5f07A:
25.67
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.
5g3f THERMUS THERMOPHILUS
MULTICOPPER OXIDASE

(Thermus
thermophilus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 PHE A 147
LEU A 146
PRO A 144
GLU A 449
 None
 1.21A 3vlnA-5g3fA:
undetectable		 3vlnA-5g3fA:
21.51
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.
5g5a GLUTATHIONE
S-TRANSFERASE U25

(Arabidopsis
thaliana) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		5 PHE A  15
ARG A  18
PRO A  55
GLU A  66
SER A  67
 GSH  A1221 (-4.4A)
GSH  A1221 ( 4.9A)
GSH  A1221 (-4.3A)
GSH  A1221 (-3.0A)
GSH  A1221 (-2.6A)
 0.44A 3vlnA-5g5aA:
24.4		 3vlnA-5g5aA:
29.63
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.
5g5f TAU CLASS
GLUTATHIONE
S-TRANSFERASE

(Mangifera
indica) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ARG A  19
PRO A  56
GLU A  67
SER A  68
 None
GSH  A1222 (-4.3A)
GSH  A1222 (-3.1A)
GSH  A1222 (-2.4A)
 0.36A 3vlnA-5g5fA:
23.7		 3vlnA-5g5fA:
29.57
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.
5gtk BETAINE-ALDEHYDE
DEHYDROGENASE

(Bacillus cereus) 		PF00171
(Aldedh) 		4 PHE A 463
LEU A 475
PRO A 462
GLU A 474
 None
 1.41A 3vlnA-5gtkA:
undetectable		 3vlnA-5gtkA:
19.20
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.
5h8w ATP-DEPENDENT DNA
HELICASE TA0057

(Thermoplasma
acidophilum) 		PF06733
(DEAD_2)
PF06777
(HBB)
PF13307
(Helicase_C_2) 		4 PHE A 326
PRO A 325
GLU A 107
SER A 108
 None
 1.04A 3vlnA-5h8wA:
undetectable		 3vlnA-5h8wA:
18.31
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.
5hrm HALOALKYLPHOSPHORUS
HYDROLASE

(Sphingobium sp.
TCM1) 		no annotation 4 PHE A 557
LEU A 489
PRO A 491
SER A 544
 None
 1.30A 3vlnA-5hrmA:
undetectable		 3vlnA-5hrmA:
18.31
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.
5j4u GLUTATHIONE
TRANSFERASE FAMILY
PROTEIN

(Populus
trichocarpa) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		5 PHE A  16
ARG A  19
PRO A  56
GLU A  67
SER A  68
 GSH  A 301 (-3.9A)
None
GSH  A 301 (-4.4A)
GSH  A 301 (-3.2A)
GSH  A 301 (-2.7A)
 0.31A 3vlnA-5j4uA:
24.2		 3vlnA-5j4uA:
28.51
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.
5jcp ARF-GAP WITH RHO-GAP
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN
3,LINKER,TRANSFORMIN
G PROTEIN RHOA

(Homo sapiens;
synthetic
construct) 		no annotation 4 PHE B1059
LEU B1077
PRO B1061
SER B1062
 None
 1.29A 3vlnA-5jcpB:
2.6		 3vlnA-5jcpB:
19.43
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.
5klh SURFACE GLYCOPROTEIN

(Trypanosoma
brucei) 		no annotation 4 PHE A 243
LEU A 246
PRO A 242
SER A  89
 None
 1.09A 3vlnA-5klhA:
undetectable		 3vlnA-5klhA:
22.48
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.
5lew DNA POLYMERASE III
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 4 PHE A  82
LEU A 144
GLU A 143
SER A  80
 None
 1.20A 3vlnA-5lewA:
undetectable		 3vlnA-5lewA:
14.15
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.
5n94 CG9323, ISOFORM A

(Drosophila
melanogaster) 		no annotation 4 LEU A 673
PRO A 672
GLU A 676
SER A 671
 None
None
U  C   2 ( 4.4A)
U  C   2 ( 3.3A)
 1.29A 3vlnA-5n94A:
undetectable		 3vlnA-5n94A:
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.
5n9u DEHYDROASCORBATE
REDUCTASE FAMILY
PROTEIN

(Populus
trichocarpa) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 PHE A  22
ARG A  25
PRO A  61
SER A  73
 GSH  A 301 (-3.0A)
GSH  A 301 ( 4.7A)
GSH  A 301 (-4.0A)
GSH  A 301 (-2.5A)
 0.40A 3vlnA-5n9uA:
19.7		 3vlnA-5n9uA:
26.21
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.
5na4 NADH
DEHYDROGENASE-LIKE
PROTEIN
SAOUHSC_00878

(Staphylococcus
aureus) 		no annotation 4 PHE A 306
LEU A 315
PRO A 314
GLU A 311
 None
 1.27A 3vlnA-5na4A:
undetectable		 3vlnA-5na4A:
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.
5nkp KELCH-LIKE PROTEIN 3

(Homo sapiens) 		PF01344
(Kelch_1) 		4 PHE A 355
ARG A 339
LEU A 359
SER A 385
 None
CL  A 602 (-4.2A)
None
CL  A 602 (-2.9A)
 1.39A 3vlnA-5nkpA:
undetectable		 3vlnA-5nkpA:
19.52
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.
5o84 GLUTATHIONE
S-TRANSFERASE U23

(Arabidopsis
thaliana) 		no annotation 4 ARG A  18
PRO A  55
GLU A  66
SER A  67
 FMT  A 301 ( 4.8A)
FMT  A 301 (-4.4A)
FMT  A 301 (-4.2A)
FMT  A 301 (-2.6A)
 0.48A 3vlnA-5o84A:
22.9		 3vlnA-5o84A:
26.32
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.
5o9g CHROMO
DOMAIN-CONTAINING
PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 4 ARG W 517
LEU W 434
PRO W 433
GLU W 493
 None
 1.23A 3vlnA-5o9gW:
undetectable		 3vlnA-5o9gW:
9.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		4 PHE T 776
LEU T 727
PRO T 734
GLU T 730
 None
 1.41A 3vlnA-5ojsT:
undetectable		 3vlnA-5ojsT:
5.16
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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		4 PHE A 332
LEU A 340
PRO A 333
GLU A 292
 None
 1.40A 3vlnA-5x7sA:
undetectable		 3vlnA-5x7sA:
10.22
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.
5xfl CATENIN ALPHA-2

(Mus musculus) 		no annotation 4 PHE A 299
ARG A 298
LEU A 303
PRO A 301
 None
 1.41A 3vlnA-5xflA:
undetectable		 3vlnA-5xflA:
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.
6cbo C-6'
AMINOTRANSFERASE

(Micromonospora
echinospora) 		no annotation 4 PHE A 376
ARG A 379
LEU A 372
PRO A 307
 None
 1.30A 3vlnA-6cboA:
undetectable		 3vlnA-6cboA:
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.
6ezy -

(-) 		no annotation 4 ARG A  15
PRO A  54
GLU A  65
SER A  66
 ARG  A  15 ( 0.6A)
PRO  A  54 ( 1.1A)
GLU  A  65 ( 0.6A)
SER  A  66 ( 0.0A)
 0.95A 3vlnA-6ezyA:
20.5		 3vlnA-6ezyA:
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.
6f4f GLUTATHIONE
TRANSFERASE

(Trametes
versicolor) 		no annotation 4 ARG A  20
PRO A  57
GLU A  80
SER A  81
 None
GDN  A 301 (-4.3A)
GDN  A 301 (-2.7A)
GDN  A 301 (-2.6A)
 0.41A 3vlnA-6f4fA:
21.8		 3vlnA-6f4fA:
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.
6f71 GLUTATHIONE
TRANSFERASE

(Trametes
versicolor) 		no annotation 5 PHE A  17
ARG A  20
PRO A  58
GLU A  82
SER A  83
 None
 0.42A 3vlnA-6f71A:
21.4		 3vlnA-6f71A:
undetectable