SIMILAR PATTERNS OF AMINO ACIDS FOR 5VW9_A_NCAA403

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.
1a8p NADPH:FERREDOXIN
OXIDOREDUCTASE

(Azotobacter
vinelandii) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		6 SER A  54
THR A 117
GLY A 118
ALA A 120
CYH A 219
GLU A 252
 FAD  A 259 (-3.8A)
FAD  A 259 (-3.1A)
None
FAD  A 259 (-3.5A)
None
FAD  A 259 ( 3.9A)
 0.71A 5vw9A-1a8pA:
21.3		 5vw9A-1a8pA:
24.18
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.
1a8p NADPH:FERREDOXIN
OXIDOREDUCTASE

(Azotobacter
vinelandii) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		6 THR A 117
GLY A 118
ALA A 120
CYH A 219
GLY A 220
GLU A 252
 FAD  A 259 (-3.1A)
None
FAD  A 259 (-3.5A)
None
None
FAD  A 259 ( 3.9A)
 0.71A 5vw9A-1a8pA:
21.3		 5vw9A-1a8pA:
24.18
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.
1amo NADPH-CYTOCHROME
P450 REDUCTASE

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		6 SER A 457
THR A 535
GLY A 536
ALA A 538
CYH A 630
GLY A 631
 FAD  A 750 (-3.8A)
NAP  A 752 (-3.5A)
None
FAD  A 750 (-3.7A)
None
None
 0.58A 5vw9A-1amoA:
29.8		 5vw9A-1amoA:
20.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bx0 PROTEIN
(FERREDOXIN:NADP+
OXIDOREDUCTASE)

(Spinacia
oleracea) 		PF00175
(NAD_binding_1) 		6 SER A  96
THR A 172
GLY A 173
ALA A 175
CYH A 272
GLY A 273
 FAD  A 315 (-3.7A)
FAD  A 315 (-3.4A)
None
FAD  A 315 ( 4.0A)
None
None
 0.29A 5vw9A-1bx0A:
41.5		 5vw9A-1bx0A:
48.92
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.
1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT

(Escherichia
coli) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		6 SER A 389
THR A 462
GLY A 463
ALA A 465
CYH A 552
GLY A 553
 FAD  A 600 (-3.2A)
FAD  A 600 ( 3.8A)
None
FAD  A 600 ( 4.0A)
None
None
 0.22A 5vw9A-1ddgA:
29.5		 5vw9A-1ddgA:
28.90
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.
1di4 LYSOZYME C

(Homo sapiens) 		PF00062
(Lys) 		5 SER A  36
THR A  40
GLY A  55
ALA A  42
GLU A  35
 None
 1.21A 5vw9A-1di4A:
undetectable		 5vw9A-1di4A:
20.34
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.
1dj2 ADENYLOSUCCINATE
SYNTHETASE

(Arabidopsis
thaliana) 		PF00709
(Adenylsucc_synt) 		4 SER A 119
GLY A  90
ALA A 122
GLY A 269
 None
 0.74A 5vw9A-1dj2A:
undetectable		 5vw9A-1dj2A:
21.99
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.
1dj3 ADENYLOSUCCINATE
SYNTHETASE

(Triticum
aestivum) 		PF00709
(Adenylsucc_synt) 		4 SER A 118
GLY A  89
ALA A 121
GLY A 268
 None
 0.63A 5vw9A-1dj3A:
undetectable		 5vw9A-1dj3A:
21.16
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.
1dxl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pisum sativum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 THR A  44
GLY A  43
GLY A  15
GLU A 329
 FAD  A 480 (-3.9A)
FAD  A 480 (-3.2A)
FAD  A 480 (-3.9A)
None
 0.68A 5vw9A-1dxlA:
3.5		 5vw9A-1dxlA:
21.99
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.
1e3h GUANOSINE
PENTAPHOSPHATE
SYNTHETASE

(Streptomyces
antibioticus) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03726
(PNPase) 		5 GLY A 511
ALA A 512
GLY A 460
GLU A 371
SER A 458
 None
None
SO4  A 904 ( 4.3A)
None
SO4  A 904 ( 4.1A)
 1.20A 5vw9A-1e3hA:
undetectable		 5vw9A-1e3hA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f20 NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		6 SER A1176
THR A1251
GLY A1252
ALA A1254
CYH A1349
GLY A1350
 FAD  A1501 (-3.7A)
NAP  A1502 ( 3.9A)
None
FAD  A1501 ( 3.7A)
None
None
 0.58A 5vw9A-1f20A:
29.7		 5vw9A-1f20A:
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.
1fs2 SKP2

(Homo sapiens) 		PF12937
(F-box-like) 		4 GLY A 227
CYH A 252
GLY A 251
SER A 276
 None
 0.50A 5vw9A-1fs2A:
undetectable		 5vw9A-1fs2A:
21.79
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.
1g0n TRIHYDROXYNAPHTHALEN
E REDUCTASE

(Magnaporthe
grisea) 		PF13561
(adh_short_C2) 		5 THR A 166
GLY A 167
ALA A 169
GLY A 183
SER A 181
 PHH  A 402 (-3.4A)
None
None
None
None
 1.37A 5vw9A-1g0nA:
2.7		 5vw9A-1g0nA:
20.67
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.
1hcu ALPHA-1,2-MANNOSIDAS
E

(Trichoderma
reesei) 		PF01532
(Glyco_hydro_47) 		4 GLY A 354
ALA A 385
GLY A 306
SER A 241
 None
 0.66A 5vw9A-1hcuA:
undetectable		 5vw9A-1hcuA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i7p NADH-CYTOCHROME B5
REDUCTASE

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 THR A 181
GLY A 182
CYH A 273
GLY A 274
 FAD  A 301 (-3.3A)
None
FAD  A 301 ( 4.0A)
None
 0.49A 5vw9A-1i7pA:
19.5		 5vw9A-1i7pA:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jug LYSOZYME

(Tachyglossus
aculeatus) 		PF00062
(Lys) 		5 SER A  36
THR A  40
GLY A  54
ALA A  42
GLU A  35
 None
 1.18A 5vw9A-1jugA:
undetectable		 5vw9A-1jugA:
17.14
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.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		4 THR A 180
GLY A 181
ALA A 184
GLY A 159
 None
 0.57A 5vw9A-1kplA:
undetectable		 5vw9A-1kplA:
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.
1krh BENZOATE
1,2-DIOXYGENASE
REDUCTASE

(Acinetobacter
sp.) 		PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		7 SER A 159
THR A 220
GLY A 221
ALA A 223
CYH A 307
GLY A 308
GLU A 333
 FAD  A 501 (-3.1A)
FAD  A 501 (-3.2A)
None
FAD  A 501 ( 3.7A)
None
None
FAD  A 501 (-3.6A)
 0.65A 5vw9A-1krhA:
23.1		 5vw9A-1krhA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lmo LYSOZYME

(Oncorhynchus
mykiss) 		PF00062
(Lys) 		5 SER A  36
THR A  40
GLY A  54
ALA A  42
GLU A  35
 None
 1.14A 5vw9A-1lmoA:
undetectable		 5vw9A-1lmoA:
20.21
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.
1m2x CLASS B
CARBAPENEMASE BLAB-1

(Elizabethkingia
meningoseptica) 		PF00753
(Lactamase_B) 		4 GLY A 262
ALA A  69
CYH A 221
GLY A 220
 None
None
ZN  A 902 (-2.3A)
None
 0.73A 5vw9A-1m2xA:
undetectable		 5vw9A-1m2xA:
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.
1m3s HYPOTHETICAL PROTEIN
YCKF

(Bacillus
subtilis) 		PF01380
(SIS) 		4 GLY A 106
ALA A 101
GLY A  79
SER A  36
 None
 0.66A 5vw9A-1m3sA:
undetectable		 5vw9A-1m3sA:
19.75
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.
1m7j D-AMINOACYLASE

(Alcaligenes
faecalis) 		PF07969
(Amidohydro_3) 		5 THR A 188
GLY A 189
ALA A 190
GLU A 224
SER A 249
 None
 1.39A 5vw9A-1m7jA:
undetectable		 5vw9A-1m7jA:
20.27
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.
1mf1 ADENYLOSUCCINATE
SYNTHETASE

(Mus musculus) 		PF00709
(Adenylsucc_synt) 		4 SER A 131
GLY A 101
ALA A 134
GLY A 283
 None
 0.63A 5vw9A-1mf1A:
undetectable		 5vw9A-1mf1A:
21.35
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		4 GLY A 951
GLY A 905
GLU A 903
SER A 901
 None
None
AKG  A2510 (-4.0A)
None
 0.70A 5vw9A-1ofeA:
undetectable		 5vw9A-1ofeA:
11.85
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.
1p9b ADENYLOSUCCINATE
SYNTHETASE

(Plasmodium
falciparum) 		PF00709
(Adenylsucc_synt) 		4 SER A 110
GLY A  84
ALA A 113
GLY A 259
 None
 0.66A 5vw9A-1p9bA:
undetectable		 5vw9A-1p9bA:
21.57
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.
1qf7 PROTEIN (CATALASE
HPII)

(Escherichia
coli) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 SER A 613
THR A 646
GLY A 645
ALA A 642
 None
 0.68A 5vw9A-1qf7A:
2.1		 5vw9A-1qf7A:
16.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qgz PROTEIN
(FERREDOXIN:NADP+
REDUCTASE)

(Nostoc sp. PCC
7119) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		6 SER A  80
THR A 157
GLY A 158
ALA A 160
CYH A 261
GLY A 262
 FAD  A 304 (-3.4A)
FAD  A 304 (-3.6A)
None
FAD  A 304 ( 4.0A)
None
None
 0.29A 5vw9A-1qgzA:
40.0		 5vw9A-1qgzA:
44.10
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.
1r6v SUBTILISIN-LIKE
SERINE PROTEASE

(Fervidobacterium
pennivorans) 		PF00082
(Peptidase_S8) 		5 THR A 200
GLY A 199
ALA A 198
GLY A 175
GLU A 181
 None
 1.47A 5vw9A-1r6vA:
undetectable		 5vw9A-1r6vA:
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.
1re5 3-CARBOXY-CIS,CIS-MU
CONATE
CYCLOISOMERASE

(Pseudomonas
putida) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		4 GLY A 248
ALA A 295
GLY A 251
SER A 255
 None
 0.74A 5vw9A-1re5A:
undetectable		 5vw9A-1re5A:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rrm LACTALDEHYDE
REDUCTASE

(Escherichia
coli) 		PF00465
(Fe-ADH) 		4 THR A 193
GLY A 194
ALA A 197
SER A 232
 APR  A 389 (-4.5A)
None
None
None
 0.69A 5vw9A-1rrmA:
2.6		 5vw9A-1rrmA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sjp 60 KDA CHAPERONIN 2

(Mycobacterium
tuberculosis) 		PF00118
(Cpn60_TCP1) 		4 THR A 293
GLY A 294
ALA A 333
GLY A 295
 None
 0.71A 5vw9A-1sjpA:
undetectable		 5vw9A-1sjpA:
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.
1tah LIPASE

(Burkholderia
glumae) 		no annotation 5 THR B 212
GLY B 211
ALA B 213
GLY B 210
SER B 278
 None
 1.23A 5vw9A-1tahB:
undetectable		 5vw9A-1tahB:
22.43
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.
1tll NITRIC-OXIDE
SYNTHASE, BRAIN

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		6 SER A1176
THR A1251
GLY A1252
ALA A1254
CYH A1349
GLY A1350
 FAD  A1452 (-3.7A)
NAP  A1453 ( 3.4A)
None
FAD  A1452 (-3.6A)
None
None
 0.58A 5vw9A-1tllA:
29.4		 5vw9A-1tllA:
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.
1tqh CARBOXYLESTERASE
PRECURSOR

(Geobacillus
stearothermophilus) 		PF12146
(Hydrolase_4) 		4 THR A  26
GLY A  27
GLY A  24
SER A  94
 None
4PA  A 701 (-3.5A)
4PA  A 701 (-3.6A)
4PA  A 701 (-1.4A)
 0.68A 5vw9A-1tqhA:
undetectable		 5vw9A-1tqhA:
21.67
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.
1tz9 MANNONATE
DEHYDRATASE

(Enterococcus
faecalis) 		PF03786
(UxuA) 		4 THR A  27
GLY A  28
ALA A  60
GLY A   4
 None
 0.74A 5vw9A-1tz9A:
undetectable		 5vw9A-1tz9A:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1usw FERULOYL ESTERASE A

(Aspergillus
niger) 		PF01764
(Lipase_3) 		4 THR A  68
GLY A  67
GLY A 135
SER A 137
 None
 0.71A 5vw9A-1uswA:
undetectable		 5vw9A-1uswA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vcg ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Thermus
thermophilus) 		PF01070
(FMN_dh) 		4 THR A 217
GLY A 216
GLY A 264
SER A 262
 FMN  A 501 (-3.7A)
FMN  A 501 ( 4.0A)
FMN  A 501 (-4.3A)
FMN  A 501 ( 3.8A)
 0.71A 5vw9A-1vcgA:
undetectable		 5vw9A-1vcgA:
21.58
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.
1wls L-ASPARAGINASE

(Pyrococcus
horikoshii) 		PF00710
(Asparaginase) 		4 THR A  83
GLY A  82
GLY A  10
SER A  14
 None
 0.73A 5vw9A-1wlsA:
undetectable		 5vw9A-1wlsA:
21.82
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.
1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE

(Klebsiella
aerogenes) 		PF00144
(Beta-lactamase) 		5 THR A 255
ALA A  72
GLY A 268
GLU A 272
SER A 273
 None
 1.41A 5vw9A-1zkjA:
undetectable		 5vw9A-1zkjA:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ass S-PHASE
KINASE-ASSOCIATED
PROTEIN 2

(Homo sapiens) 		PF12937
(F-box-like) 		4 GLY B2215
CYH B2240
GLY B2239
SER B2264
 PO4  B   5 (-3.6A)
None
PO4  B   5 ( 4.4A)
None
 0.50A 5vw9A-2assB:
undetectable		 5vw9A-2assB:
23.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2b5o FERREDOXIN--NADP
REDUCTASE

(Synechococcus
sp. PCC 7002) 		PF00175
(NAD_binding_1) 		7 SER A 182
THR A 260
GLY A 261
ALA A 263
CYH A 360
GLY A 361
GLU A 400
 FAD  A 403 (-3.1A)
FAD  A 403 (-3.2A)
None
FAD  A 403 ( 4.3A)
None
None
FAD  A 403 (-3.8A)
 0.48A 5vw9A-2b5oA:
40.8		 5vw9A-2b5oA:
38.71
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.
2bf4 NADPH-CYTOCHROME
P450 REDUCTASE

(Saccharomyces
cerevisiae) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		6 SER A 442
THR A 543
GLY A 544
ALA A 546
CYH A 644
GLY A 645
 FAD  A 750 (-3.1A)
NAP  A 753 (-3.7A)
None
FAD  A 750 ( 4.0A)
None
None
 0.35A 5vw9A-2bf4A:
27.7		 5vw9A-2bf4A:
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.
2c2n MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Homo sapiens) 		PF00698
(Acyl_transf_1) 		4 SER A  92
GLY A 119
ALA A 122
GLY A  33
 None
None
None
AE4  A1346 (-3.7A)
 0.74A 5vw9A-2c2nA:
undetectable		 5vw9A-2c2nA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c3d 2-OXOPROPYL-COM
REDUCTASE

(Xanthobacter
autotrophicus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLY A  58
ALA A  60
CYH A 369
GLY A 368
 None
 0.48A 5vw9A-2c3dA:
undetectable		 5vw9A-2c3dA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 SER C  35
GLY C 121
ALA C 249
GLY C  60
 None
 0.68A 5vw9A-2d3tC:
undetectable		 5vw9A-2d3tC:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d9w DOCKING PROTEIN 2

(Homo sapiens) 		PF00169
(PH) 		5 SER A  84
THR A  88
ALA A 103
GLY A  79
GLU A  81
 None
 1.25A 5vw9A-2d9wA:
undetectable		 5vw9A-2d9wA:
15.31
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.
2e0p ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF12891
(Glyco_hydro_44) 		4 THR A 369
GLY A 370
ALA A 373
GLY A 364
 None
 0.53A 5vw9A-2e0pA:
undetectable		 5vw9A-2e0pA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e0p ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF12891
(Glyco_hydro_44) 		4 THR A 369
GLY A 370
ALA A 373
GLY A 365
 None
 0.74A 5vw9A-2e0pA:
undetectable		 5vw9A-2e0pA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ed6 25KDA STRUCTURAL
PROTEIN VP25

(White spot
syndrome virus) 		PF12175
(WSS_VP) 		4 GLY A 120
CYH A 173
GLY A 174
SER A 156
 None
 0.67A 5vw9A-2ed6A:
undetectable		 5vw9A-2ed6A:
18.69
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.
2eix NADH-CYTOCHROME B5
REDUCTASE

(Physarum
polycephalum) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 THR A 164
GLY A 165
CYH A 255
GLY A 256
 FAD  A1301 (-3.3A)
None
FAD  A1301 ( 4.1A)
None
 0.43A 5vw9A-2eixA:
20.2		 5vw9A-2eixA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gfg BH2851

(Bacillus
halodurans) 		PF01928
(CYTH) 		5 THR A 155
GLY A 154
ALA A 160
GLY A 133
GLU A 131
 EDO  A 504 (-4.3A)
EDO  A 504 (-3.2A)
EDO  A 504 ( 4.3A)
EDO  A 504 ( 4.4A)
None
 1.22A 5vw9A-2gfgA:
undetectable		 5vw9A-2gfgA:
19.87
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.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 SER A 402
GLY A 173
ALA A 171
GLU A 355
 None
 0.65A 5vw9A-2gp6A:
undetectable		 5vw9A-2gp6A:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gv0 LYSOZYME C

(Pelodiscus
sinensis) 		PF00062
(Lys) 		5 SER A  37
THR A  41
GLY A  56
ALA A  43
GLU A  36
 None
 1.18A 5vw9A-2gv0A:
undetectable		 5vw9A-2gv0A:
17.22
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.
2hih LIPASE 46 KDA FORM

(Staphylococcus
hyicus) 		no annotation 4 THR A  27
GLY A  28
GLY A  25
SER A 124
 None
 0.73A 5vw9A-2hihA:
undetectable		 5vw9A-2hihA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hpw GREEN FLUORESCENT
PROTEIN

(Clytia gregaria) 		PF01353
(GFP) 		4 THR A 129
GLY A 130
GLY A 105
SER A 100
 None
 0.72A 5vw9A-2hpwA:
undetectable		 5vw9A-2hpwA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iyo 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING

(Lactococcus
lactis) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		4 SER A 330
THR A 422
ALA A 426
SER A 201
 None
 0.71A 5vw9A-2iyoA:
4.2		 5vw9A-2iyoA:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kgr INTERSECTIN-1

(Homo sapiens) 		PF12763
(EF-hand_4) 		5 THR A  32
GLY A  33
ALA A  36
GLY A  63
GLU A  69
 None
 1.32A 5vw9A-2kgrA:
undetectable		 5vw9A-2kgrA:
13.29
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.
2nzt HEXOKINASE-2

(Homo sapiens) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 THR A 570
GLY A 571
CYH A 628
GLY A 627
GLU A 629
 None
 1.21A 5vw9A-2nztA:
2.2		 5vw9A-2nztA:
16.52
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.
2ogx MOLYBDENUM STORAGE
PROTEIN SUBUNIT
ALPHA

(Azotobacter
vinelandii) 		PF00696
(AA_kinase) 		5 THR A  78
GLY A  79
ALA A 151
GLY A  48
GLU A 190
 None
ATP  A 281 (-3.2A)
None
ATP  A 281 (-3.8A)
MG  A 291 ( 2.5A)
 1.07A 5vw9A-2ogxA:
undetectable		 5vw9A-2ogxA:
22.15
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.
2ogx MOLYBDENUM STORAGE
PROTEIN SUBUNIT
ALPHA

(Azotobacter
vinelandii) 		PF00696
(AA_kinase) 		5 THR A  78
GLY A  79
ALA A 170
GLY A  48
GLU A 190
 None
ATP  A 281 (-3.2A)
ATP  A 281 ( 4.0A)
ATP  A 281 (-3.8A)
MG  A 291 ( 2.5A)
 1.30A 5vw9A-2ogxA:
undetectable		 5vw9A-2ogxA:
22.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ok8 PUTATIVE
FERREDOXIN--NADP
REDUCTASE

(Plasmodium
falciparum) 		PF00175
(NAD_binding_1) 		6 SER A 104
THR A 180
GLY A 181
CYH A 284
GLY A 285
GLU A 314
 FAD  A 415 (-3.8A)
FAD  A 415 (-3.3A)
None
None
None
FAD  A 415 ( 3.8A)
 0.67A 5vw9A-2ok8A:
30.6		 5vw9A-2ok8A:
32.04
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.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 THR A 246
GLY A 247
GLY A 257
GLU A 254
 None
 0.70A 5vw9A-2p3xA:
undetectable		 5vw9A-2p3xA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p4o HYPOTHETICAL PROTEIN

(Nostoc
punctiforme) 		no annotation 5 SER A 134
GLY A 172
ALA A 170
GLY A 120
SER A  74
 None
 1.32A 5vw9A-2p4oA:
undetectable		 5vw9A-2p4oA:
23.32
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.
2q1y CELL DIVISION
PROTEIN FTSZ

(Mycobacterium
tuberculosis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 THR A 108
GLY A 109
ALA A 111
GLY A  75
GLU A  80
 None
 1.43A 5vw9A-2q1yA:
3.4		 5vw9A-2q1yA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qdx FERREDOXIN REDUCTASE

(Pseudomonas
aeruginosa) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		6 SER A  54
THR A 117
GLY A 118
ALA A 120
CYH A 219
GLU A 252
 FAD  A 400 (-3.7A)
FAD  A 400 (-3.2A)
None
FAD  A 400 (-3.6A)
None
FAD  A 400 ( 3.9A)
 0.64A 5vw9A-2qdxA:
21.0		 5vw9A-2qdxA:
23.87
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.
2qdx FERREDOXIN REDUCTASE

(Pseudomonas
aeruginosa) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		6 THR A 117
GLY A 118
ALA A 120
CYH A 219
GLY A 220
GLU A 252
 FAD  A 400 (-3.2A)
None
FAD  A 400 (-3.6A)
None
None
FAD  A 400 ( 3.9A)
 0.71A 5vw9A-2qdxA:
21.0		 5vw9A-2qdxA:
23.87
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.
2qtz METHIONINE SYNTHASE
REDUCTASE

(Homo sapiens) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		6 SER A 454
THR A 547
GLY A 548
ALA A 550
CYH A 650
GLY A 651
 FAD  A 700 (-3.2A)
FAD  A 700 ( 4.6A)
None
FAD  A 700 ( 4.7A)
None
None
 0.63A 5vw9A-2qtzA:
28.4		 5vw9A-2qtzA:
22.98
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.
2r6h NADH:UBIQUINONE
OXIDOREDUCTASE, NA
TRANSLOCATING, F
SUBUNIT

(Porphyromonas
gingivalis) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 GLY A 289
ALA A 291
CYH A 383
GLY A 384
 None
FAD  A   1 ( 3.9A)
None
None
 0.59A 5vw9A-2r6hA:
24.3		 5vw9A-2r6hA:
23.87
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.
2r6h NADH:UBIQUINONE
OXIDOREDUCTASE, NA
TRANSLOCATING, F
SUBUNIT

(Porphyromonas
gingivalis) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 SER A 212
GLY A 289
ALA A 291
CYH A 383
 FAD  A   1 ( 3.3A)
None
FAD  A   1 ( 3.9A)
None
 0.74A 5vw9A-2r6hA:
24.3		 5vw9A-2r6hA:
23.87
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.
2r6r CELL DIVISION
PROTEIN FTSZ

(Aquifex
aeolicus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		4 THR 1 105
GLY 1 106
ALA 1 109
SER 1  20
 GDP  1 339 (-4.3A)
GDP  1 339 (-3.5A)
None
None
 0.56A 5vw9A-2r6r1:
3.1		 5vw9A-2r6r1:
21.57
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.
2r9h H(+)/CL(-) EXCHANGE
TRANSPORTER CLCA

(Escherichia
coli) 		PF00654
(Voltage_CLC) 		4 THR A 180
GLY A 181
ALA A 184
GLY A 159
 None
 0.61A 5vw9A-2r9hA:
undetectable		 5vw9A-2r9hA:
19.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rc5 FERREDOXIN-NADP
REDUCTASE

(Leptospira
interrogans) 		PF00175
(NAD_binding_1) 		7 SER A  97
THR A 175
GLY A 176
ALA A 178
CYH A 272
GLY A 273
GLU A 312
 FAD  A 415 (-3.1A)
FAD  A 415 (-3.4A)
None
FAD  A 415 ( 3.9A)
None
None
FAD  A 415 (-3.8A)
 0.55A 5vw9A-2rc5A:
35.2		 5vw9A-2rc5A:
37.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2sfa SERINE PROTEINASE

(Streptomyces
fradiae) 		PF00089
(Trypsin) 		5 THR A  32
GLY A  18
ALA A  30
GLU A   5
SER A 108
 None
 0.89A 5vw9A-2sfaA:
undetectable		 5vw9A-2sfaA:
19.18
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.
2v40 ADENYLOSUCCINATE
SYNTHETASE ISOZYME 2

(Homo sapiens) 		PF00709
(Adenylsucc_synt) 		4 SER A 130
GLY A  98
ALA A 133
GLY A 282
 None
 0.65A 5vw9A-2v40A:
undetectable		 5vw9A-2v40A:
22.27
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.
2wbj OB TCR

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 THR D  39
GLY D  38
ALA D 106
GLU D 141
 None
 0.69A 5vw9A-2wbjD:
undetectable		 5vw9A-2wbjD:
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.
2wtn EST1E

(Butyrivibrio
proteoclasticus) 		PF08386
(Abhydrolase_4)
PF12146
(Hydrolase_4) 		4 THR A  34
GLY A  35
GLY A  32
SER A 105
 FER  A1250 (-3.5A)
GOL  A1249 ( 4.0A)
GOL  A1249 ( 3.3A)
FER  A1250 ( 2.3A)
 0.65A 5vw9A-2wtnA:
2.4		 5vw9A-2wtnA:
20.99
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.
2wxu PHOSPHOLIPASE C

(Clostridium
perfringens) 		PF00882
(Zn_dep_PLPC)
PF01477
(PLAT) 		5 SER A  52
THR A  10
GLY A   9
ALA A  12
GLY A   3
 None
 1.45A 5vw9A-2wxuA:
undetectable		 5vw9A-2wxuA:
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.
2yxz THIAMIN-MONOPHOSPHAT
E KINASE

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 THR A 164
GLY A 165
ALA A 167
GLY A 255
 None
 0.59A 5vw9A-2yxzA:
undetectable		 5vw9A-2yxzA:
22.64
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.
2z2e LYSOZYME C, MILK
ISOZYME

(Canis lupus) 		PF00062
(Lys) 		5 SER A  36
THR A  40
GLY A  55
ALA A  42
GLU A  35
 None
 1.19A 5vw9A-2z2eA:
undetectable		 5vw9A-2z2eA:
16.77
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.
2zqq METHYLGLUTACONYL-COA
HYDRATASE

(Homo sapiens) 		PF00378
(ECH_1) 		4 THR A 303
GLY A 304
ALA A 306
GLY A 296
 None
 0.60A 5vw9A-2zqqA:
undetectable		 5vw9A-2zqqA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3am6 RHODOPSIN-2

(Acetabularia
acetabulum) 		PF01036
(Bac_rhodopsin) 		5 THR A   8
GLY A   9
ALA A  12
GLU A 199
SER A 195
 None
 1.38A 5vw9A-3am6A:
undetectable		 5vw9A-3am6A:
19.69
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.
3bry TBUX

(Ralstonia
pickettii) 		PF03349
(Toluene_X) 		5 THR A 381
GLY A 382
ALA A 397
GLY A 354
GLU A 343
 None
 0.95A 5vw9A-3bryA:
undetectable		 5vw9A-3bryA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cnj CHOLESTEROL OXIDASE

(Streptomyces
sp. SA-COO) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 THR A  18
GLY A  19
ALA A  23
GLY A 114
 None
FAD  A 510 (-3.4A)
None
FAD  A 510 (-3.0A)
 0.63A 5vw9A-3cnjA:
3.4		 5vw9A-3cnjA:
20.12
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.
3cp8 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA

(Chlorobaculum
tepidum) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 GLY A  10
ALA A  38
CYH A  14
GLY A  13
GLU A  15
 FAD  A 622 (-3.4A)
None
None
None
None
 1.34A 5vw9A-3cp8A:
3.0		 5vw9A-3cp8A:
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.
3dwk PENICILLIN-BINDING
PROTEIN 2

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		4 GLY A 587
ALA A 604
GLY A 397
SER A 399
 None
 0.71A 5vw9A-3dwkA:
undetectable		 5vw9A-3dwkA:
18.37
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.
3fjo NADPH-CYTOCHROME
P450 REDUCTASE

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		6 SER A 437
THR A 515
GLY A 516
ALA A 518
CYH A 609
GLY A 610
 FAD  A 750 (-3.7A)
FAD  A 750 ( 3.9A)
None
FAD  A 750 ( 4.2A)
None
None
 0.58A 5vw9A-3fjoA:
29.6		 5vw9A-3fjoA:
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.
3fpk FERREDOXIN-NADP
REDUCTASE

(Salmonella
enterica) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 SER A  53
THR A 116
CYH A 212
GLY A 213
GLU A 245
 FAD  A 301 (-3.6A)
FAD  A 301 (-3.4A)
None
None
FAD  A 301 ( 4.3A)
 0.79A 5vw9A-3fpkA:
22.1		 5vw9A-3fpkA:
25.23
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.
3gyr PHENOXAZINONE
SYNTHASE

(Streptomyces
antibioticus) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A 168
ALA A 595
GLY A 170
GLU A 188
SER A 187
 None
 1.33A 5vw9A-3gyrA:
undetectable		 5vw9A-3gyrA:
19.62
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.
3h8l NADH OXIDASE

(Acidianus
ambivalens) 		PF07992
(Pyr_redox_2) 		4 THR A 323
GLY A 324
ALA A 327
GLY A  12
 None
None
None
FAD  A1001 (-3.8A)
 0.57A 5vw9A-3h8lA:
3.6		 5vw9A-3h8lA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i6d PROTOPORPHYRINOGEN
OXIDASE

(Bacillus
subtilis) 		PF01593
(Amino_oxidase) 		4 THR A  16
GLY A  17
ALA A  20
GLY A  12
 FAD  A 600 (-3.4A)
None
None
FAD  A 600 (-3.4A)
 0.70A 5vw9A-3i6dA:
4.2		 5vw9A-3i6dA:
19.80
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.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		5 THR W 610
GLY W 614
ALA W 612
GLY W 576
SER W 515
 None
 1.42A 5vw9A-3iylW:
4.4		 5vw9A-3iylW:
13.52
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.
3k30 HISTAMINE
DEHYDROGENASE

(Pimelobacter
simplex) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 THR A 232
GLY A 265
ALA A 263
GLY A 180
SER A 182
 None
None
FMN  A 802 ( 4.9A)
None
None
 1.45A 5vw9A-3k30A:
undetectable		 5vw9A-3k30A:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lov PROTOPORPHYRINOGEN
OXIDASE

(Exiguobacterium
sibiricum) 		PF01593
(Amino_oxidase) 		4 THR A  14
GLY A  15
ALA A  18
GLY A  10
 FAD  A 500 (-3.5A)
None
None
FAD  A 500 (-3.3A)
 0.71A 5vw9A-3lovA:
3.4		 5vw9A-3lovA:
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.
3mdn GLUTAMINE
AMINOTRANSFERASE
CLASS-II DOMAIN
PROTEIN

(Ruegeria
pomeroyi) 		PF13230
(GATase_4) 		4 THR A  10
GLY A   9
GLY A 219
SER A 214
 None
 0.73A 5vw9A-3mdnA:
undetectable		 5vw9A-3mdnA:
22.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mhp FERREDOXIN--NADP
REDUCTASE, LEAF
ISOZYME,
CHLOROPLASTIC

(Pisum sativum) 		PF00175
(NAD_binding_1) 		7 SER A  90
THR A 166
GLY A 167
ALA A 169
CYH A 266
GLY A 267
GLU A 306
 FAD  A 999 (-3.4A)
FAD  A 999 (-3.3A)
None
FAD  A 999 ( 4.0A)
None
None
FAD  A 999 (-3.6A)
 0.58A 5vw9A-3mhpA:
41.8		 5vw9A-3mhpA:
46.69
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.
3mkt MULTI ANTIMICROBIAL
EXTRUSION PROTEIN
(NA(+)/DRUG
ANTIPORTER)
MATE-LIKE MDR EFFLUX
PUMP

(Vibrio cholerae) 		PF01554
(MatE) 		5 SER A  56
THR A 130
ALA A 127
CYH A 196
GLY A 197
 None
 1.36A 5vw9A-3mktA:
undetectable		 5vw9A-3mktA:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ozv FLAVOHEMOGLOBIN

(Cupriavidus
necator) 		no annotation 4 GLY B 277
CYH B 368
GLY B 369
GLU B 394
 None
None
None
FAD  B 405 (-3.8A)
 0.73A 5vw9A-3ozvB:
20.5		 5vw9A-3ozvB:
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.
3q54 OUTER MEMBRANE
ASSEMBLY LIPOPROTEIN
YFGL

(Escherichia
coli) 		PF13360
(PQQ_2) 		5 SER A 365
THR A 386
GLY A 385
ALA A 382
GLY A  55
 None
 1.14A 5vw9A-3q54A:
undetectable		 5vw9A-3q54A:
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.
3qfs NADPH--CYTOCHROME
P450 REDUCTASE

(Homo sapiens) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		6 SER A 460
THR A 538
GLY A 539
ALA A 541
CYH A 632
GLY A 633
 FAD  A 752 (-3.5A)
NAP  A 753 (-3.0A)
None
FAD  A 752 ( 3.7A)
None
None
 0.43A 5vw9A-3qfsA:
30.0		 5vw9A-3qfsA:
25.21
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.
3suc PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		5 GLY A 486
ALA A 513
GLY A 459
GLU A 457
SER A 456
 None
 1.41A 5vw9A-3sucA:
undetectable		 5vw9A-3sucA:
17.59