SIMILAR PATTERNS OF AMINO ACIDS FOR 1FDU_A_ESTA351

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1a27 17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		11 SER A 142
VAL A 143
GLY A 144
LEU A 149
TYR A 155
GLY A 186
PRO A 187
PHE A 192
TYR A 218
SER A 222
VAL A 283
 EST  A 350 (-3.0A)
EST  A 350 (-4.5A)
EST  A 350 (-3.4A)
EST  A 350 (-4.4A)
EST  A 350 (-4.2A)
EST  A 350 (-4.1A)
EST  A 350 (-4.1A)
NAP  A 360 (-3.9A)
None
None
None
 0.47A 1fduA-1a27A:
45.2		 1fduA-1a27A:
99.65
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.
1dcu FRUCTOSE-1,6-BISPHOS
PHATASE

(Pisum sativum) 		PF00316
(FBPase) 		5 SER A 272
VAL A 274
GLY A 275
GLY A 141
VAL A 208
 None
 1.02A 1fduA-1dcuA:
undetectable		 1fduA-1dcuA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e5w MOESIN

(Homo sapiens) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		5 VAL A 220
GLY A 219
LEU A 218
TYR A 228
GLY A 224
 None
 0.98A 1fduA-1e5wA:
undetectable		 1fduA-1e5wA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ef1 MOESIN

(Homo sapiens) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		5 VAL A 220
GLY A 219
LEU A 218
TYR A 228
GLY A 224
 None
 1.09A 1fduA-1ef1A:
undetectable		 1fduA-1ef1A:
21.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fdw 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		9 SER A 142
VAL A 143
GLY A 144
LEU A 149
TYR A 155
GLY A 186
PRO A 187
SER A 222
VAL A 283
 EST  A 350 (-4.3A)
EST  A 350 (-4.8A)
EST  A 350 ( 4.5A)
EST  A 350 (-4.6A)
None
EST  A 350 (-4.0A)
EST  A 350 (-4.3A)
EST  A 350 (-4.4A)
EST  A 350 ( 4.9A)
 0.77A 1fduA-1fdwA:
41.2		 1fduA-1fdwA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fdw 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		9 SER A 142
VAL A 143
GLY A 144
LEU A 149
TYR A 155
GLY A 186
TYR A 218
SER A 222
VAL A 283
 EST  A 350 (-4.3A)
EST  A 350 (-4.8A)
EST  A 350 ( 4.5A)
EST  A 350 (-4.6A)
None
EST  A 350 (-4.0A)
None
EST  A 350 (-4.4A)
EST  A 350 ( 4.9A)
 0.58A 1fduA-1fdwA:
41.2		 1fduA-1fdwA:
99.69
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.
1gc7 RADIXIN

(Mus musculus) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		5 VAL A 220
GLY A 219
LEU A 218
TYR A 228
GLY A 224
 VAL  A 220 ( 0.6A)
GLY  A 219 ( 0.0A)
LEU  A 218 ( 0.6A)
TYR  A 228 ( 1.3A)
GLY  A 224 ( 0.0A)
 1.01A 1fduA-1gc7A:
undetectable		 1fduA-1gc7A:
20.58
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.
1gh6 RETINOBLASTOMA-ASSOC
IATED PROTEIN

(Homo sapiens) 		PF01857
(RB_B)
PF01858
(RB_A) 		5 VAL B 450
GLY B 449
LEU B 491
PHE B 535
VAL B 520
 None
 1.11A 1fduA-1gh6B:
undetectable		 1fduA-1gh6B:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h4r MERLIN

(Homo sapiens) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		5 VAL A 236
GLY A 235
LEU A 234
TYR A 244
GLY A 240
 None
 1.13A 1fduA-1h4rA:
undetectable		 1fduA-1h4rA:
20.40
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.
1ixp PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Escherichia
coli) 		PF03740
(PdxJ) 		5 VAL A   8
GLY A   7
LEU A   6
GLY A 215
LEU A 237
 None
None
None
PO4  A1002 (-3.4A)
None
 0.96A 1fduA-1ixpA:
undetectable		 1fduA-1ixpA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iy8 LEVODIONE REDUCTASE

(Leifsonia
aquatica) 		PF13561
(adh_short_C2) 		5 SER A 152
VAL A 153
GLY A 154
TYR A 165
GLY A 196
 NAD  A1268 (-2.5A)
None
None
MRD  A1269 ( 3.9A)
NAD  A1268 (-3.8A)
 0.51A 1fduA-1iy8A:
28.8		 1fduA-1iy8A:
28.74
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.
1iy8 LEVODIONE REDUCTASE

(Leifsonia
aquatica) 		PF13561
(adh_short_C2) 		5 VAL A 153
GLY A 154
GLY A 196
LEU A 210
SER A 206
 None
None
NAD  A1268 (-3.8A)
None
MRD  A1269 ( 3.7A)
 1.08A 1fduA-1iy8A:
28.8		 1fduA-1iy8A:
28.74
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.
1j8m SIGNAL RECOGNITION
54 KDA PROTEIN

(Acidianus
ambivalens) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 VAL F 106
GLY F 105
LEU F 218
GLY F 193
VAL F 262
 None
 0.84A 1fduA-1j8mF:
3.1		 1fduA-1j8mF:
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.
1no7 MAJOR CAPSID PROTEIN

(Human
alphaherpesvirus
1) 		PF03122
(Herpes_MCP) 		5 GLY A 488
GLY A 995
PHE A 505
LEU A 963
VAL A1007
 None
 1.10A 1fduA-1no7A:
undetectable		 1fduA-1no7A:
20.10
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.
1ogy PERIPLASMIC NITRATE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 GLY A  57
LEU A  60
GLY A  42
LEU A 522
VAL A 503
 SF4  A1801 (-3.6A)
None
None
None
None
 1.00A 1fduA-1ogyA:
undetectable		 1fduA-1ogyA:
18.77
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.
1po0 IRON(III) DICITRATE
TRANSPORT PROTEIN
FECA PRECURSOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 VAL A 208
GLY A 209
LEU A 152
GLY A 516
VAL A 628
 None
 0.86A 1fduA-1po0A:
undetectable		 1fduA-1po0A:
19.02
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.
1pvd PYRUVATE
DECARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 SER A 446
GLY A 443
GLY A 416
SER A 408
VAL A 384
 TPP  A 557 ( 2.4A)
TPP  A 557 (-3.5A)
None
None
None
 1.12A 1fduA-1pvdA:
3.0		 1fduA-1pvdA:
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 SER A 175
GLY A 172
GLY A 177
PHE A 244
LEU A 399
 None
 1.06A 1fduA-1tqyA:
undetectable		 1fduA-1tqyA:
24.38
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.
1v0f ENDO-ALPHA-SIALIDASE

(Enterobacteria
phage K1F) 		PF12217
(End_beta_propel)
PF12218
(End_N_terminal)
PF12219
(End_tail_spike) 		5 VAL A 551
GLY A 552
LEU A 593
LEU A 620
SER A 619
 VAL  A 551 ( 0.6A)
GLY  A 552 ( 0.0A)
LEU  A 593 ( 0.5A)
LEU  A 620 ( 0.6A)
SER  A 619 ( 0.0A)
 1.04A 1fduA-1v0fA:
undetectable		 1fduA-1v0fA:
19.05
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.
1vkh PUTATIVE SERINE
HYDROLASE

(Saccharomyces
cerevisiae) 		PF07859
(Abhydrolase_3) 		5 VAL A 111
GLY A 112
GLY A  38
PHE A  50
LEU A  14
 None
 1.07A 1fduA-1vkhA:
4.7		 1fduA-1vkhA:
20.94
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.
1woi AGMATINASE

(Deinococcus
radiodurans) 		PF00491
(Arginase) 		6 VAL A  36
LEU A 127
GLY A 119
TYR A 225
LEU A 270
SER A 227
 None
 1.31A 1fduA-1woiA:
2.2		 1fduA-1woiA:
25.14
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.
1zcj PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		6 SER A 521
VAL A 520
LEU A 484
PRO A 517
PHE A 492
LEU A 623
 None
 1.48A 1fduA-1zcjA:
7.0		 1fduA-1zcjA:
22.77
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.
1zrt CYTOCHROME B

(Rhodobacter
capsulatus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 VAL C 161
GLY C 164
LEU C 165
GLY C 158
PHE C 194
 SMA  C 503 (-4.4A)
None
None
SMA  C 503 (-3.3A)
SMA  C 503 (-4.7A)
 1.07A 1fduA-1zrtC:
undetectable		 1fduA-1zrtC:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cf5 CINNAMYL ALCOHOL
DEHYDROGENASE

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 230
LEU A 241
GLY A 232
LEU A 265
SER A 263
 None
 1.09A 1fduA-2cf5A:
6.3		 1fduA-2cf5A:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d2n GIANT HEMOGLOBIN,
B2(C) GLOBIN CHAIN

(Oligobrachia
mashikoi) 		PF00042
(Globin) 		5 VAL C  70
GLY C  73
LEU C  94
LEU C 147
SER C 144
 HEM  C 200 ( 3.7A)
HEM  C 200 ( 4.2A)
HEM  C 200 ( 4.7A)
None
None
 1.11A 1fduA-2d2nC:
undetectable		 1fduA-2d2nC:
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.
2dpn GLYCEROL KINASE

(Thermus
thermophilus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 SER A 302
GLY A 301
LEU A 283
GLY A 348
PHE A 134
 None
 1.05A 1fduA-2dpnA:
undetectable		 1fduA-2dpnA:
24.45
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.
2etv IRON(III) ABC
TRANSPORTER,
PERIPLASMIC
IRON-BINDING
PROTEIN, PUTATIVE

(Thermotoga
maritima) 		PF01497
(Peripla_BP_2) 		5 SER A  89
VAL A  90
GLY A  91
GLY A  63
TYR A 288
 None
 0.88A 1fduA-2etvA:
undetectable		 1fduA-2etvA:
24.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gv9 DNA POLYMERASE

(Human
alphaherpesvirus
1) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 VAL A 585
GLY A 586
TYR A 399
GLY A 464
LEU A 598
 None
 1.13A 1fduA-2gv9A:
undetectable		 1fduA-2gv9A:
15.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hig 6-PHOSPHO-1-FRUCTOKI
NASE

(Trypanosoma
brucei) 		PF00365
(PFK) 		5 GLY A 198
LEU A 232
GLY A 223
PHE A 239
SER A 235
 None
 1.08A 1fduA-2higA:
3.9		 1fduA-2higA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lae LIPOPROTEIN 34

(Escherichia
coli) 		PF06804
(Lipoprotein_18) 		5 SER A 314
LEU A 255
GLY A 308
SER A 269
VAL A 278
 None
 1.13A 1fduA-2laeA:
undetectable		 1fduA-2laeA:
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.
2ohf GTP-BINDING PROTEIN
9

(Homo sapiens) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		5 GLY A 299
LEU A  88
GLY A  26
PHE A  38
SER A  62
 None
 1.08A 1fduA-2ohfA:
3.4		 1fduA-2ohfA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qjp CYTOCHROME B

(Rhodobacter
sphaeroides) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 VAL A 161
GLY A 164
LEU A 165
GLY A 158
PHE A 194
 SMA  A   1 (-4.1A)
None
None
SMA  A   1 (-3.1A)
SMA  A   1 (-4.6A)
 1.11A 1fduA-2qjpA:
undetectable		 1fduA-2qjpA:
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.
2w4i GLUTAMATE RACEMASE

(Helicobacter
pylori) 		PF01177
(Asp_Glu_race) 		5 SER A  14
VAL A  15
GLY A  12
GLY A 211
LEU A  78
 None
 0.90A 1fduA-2w4iA:
2.6		 1fduA-2w4iA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yiu CYTOCHROME B

(Paracoccus
denitrificans) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 VAL A 161
GLY A 164
LEU A 165
GLY A 158
PHE A 194
 SMA  A 502 (-4.3A)
None
None
SMA  A 502 (-3.5A)
SMA  A 502 (-4.5A)
 1.01A 1fduA-2yiuA:
undetectable		 1fduA-2yiuA:
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.
2yqu 2-OXOGLUTARATE
DEHYDROGENASE E3
COMPONENT

(Thermus
thermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 VAL A 407
GLY A 408
GLY A 404
PRO A 344
VAL A 177
 None
 1.06A 1fduA-2yquA:
5.9		 1fduA-2yquA:
25.64
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.
2yy7 L-THREONINE
DEHYDROGENASE

(Flavobacterium
frigidimaris) 		PF01370
(Epimerase) 		5 TYR A 170
GLY A  15
PHE A 114
TYR A 143
LEU A  78
 None
None
None
GOL  A1001 ( 4.1A)
None
 1.08A 1fduA-2yy7A:
16.3		 1fduA-2yy7A:
20.29
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.
2yzm D-ALANINE--D-ALANINE
LIGASE

(Thermus
thermophilus) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 SER A 110
VAL A 107
GLY A 106
GLY A  89
LEU A  98
 None
 1.08A 1fduA-2yzmA:
undetectable		 1fduA-2yzmA:
25.98
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.
2zat DEHYDROGENASE/REDUCT
ASE SDR FAMILY
MEMBER 4

(Sus scrofa) 		PF13561
(adh_short_C2) 		5 SER A 151
VAL A 152
GLY A 153
GLY A 195
SER A 218
 NAP  A1261 ( 3.4A)
None
None
None
None
 1.09A 1fduA-2zatA:
26.6		 1fduA-2zatA:
28.40
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.
2zat DEHYDROGENASE/REDUCT
ASE SDR FAMILY
MEMBER 4

(Sus scrofa) 		PF13561
(adh_short_C2) 		5 SER A 151
VAL A 152
GLY A 153
TYR A 164
GLY A 195
 NAP  A1261 ( 3.4A)
None
None
NAP  A1261 ( 4.6A)
None
 0.65A 1fduA-2zatA:
26.6		 1fduA-2zatA:
28.40
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.
3a0g HEMOGLOBIN SUBUNIT
ALPHA

(Cavia porcellus) 		PF00042
(Globin) 		5 VAL A  25
GLY A  28
LEU A 101
GLY A  59
LEU A 136
 None
None
HEM  A 201 (-4.1A)
None
None
 1.06A 1fduA-3a0gA:
undetectable		 1fduA-3a0gA:
17.96
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.
3bes INTERFERON-GAMMA
BINDING PROTEIN C4R

(Ectromelia
virus) 		PF07140
(IFNGR1) 		5 GLY R 189
TYR R 146
GLY R 102
PRO R 103
SER R 203
 None
 1.03A 1fduA-3besR:
undetectable		 1fduA-3besR:
20.71
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.
3d3y UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF05193
(Peptidase_M16_C) 		5 VAL A 206
LEU A 211
GLY A 204
LEU A 110
VAL A 107
 None
 1.12A 1fduA-3d3yA:
undetectable		 1fduA-3d3yA:
22.63
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.
3e1s EXODEOXYRIBONUCLEASE
V, SUBUNIT RECD

(Deinococcus
radiodurans) 		PF13538
(UvrD_C_2)
PF13604
(AAA_30)
PF14490
(HHH_4) 		5 VAL A 659
GLY A 658
LEU A 657
GLY A 688
LEU A 536
 None
 1.10A 1fduA-3e1sA:
undetectable		 1fduA-3e1sA:
22.52
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.
3e8x PUTATIVE
NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Bacillus
halodurans) 		PF13460
(NAD_binding_10) 		5 SER A 110
VAL A 111
GLY A 112
GLY A 150
PRO A 151
 NAP  A 500 (-3.1A)
None
CL  A 501 (-3.3A)
None
NAP  A 500 ( 4.9A)
 0.69A 1fduA-3e8xA:
17.6		 1fduA-3e8xA:
20.92
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.
3e8x PUTATIVE
NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Bacillus
halodurans) 		PF13460
(NAD_binding_10) 		5 SER A 110
VAL A 111
TYR A 126
GLY A 150
PRO A 151
 NAP  A 500 (-3.1A)
None
NAP  A 500 (-4.5A)
None
NAP  A 500 ( 4.9A)
 0.69A 1fduA-3e8xA:
17.6		 1fduA-3e8xA:
20.92
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.
3f4n PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Yersinia pestis) 		PF03740
(PdxJ) 		5 VAL A   8
GLY A   7
LEU A   6
GLY A 215
LEU A 237
 None
None
None
PXP  A 501 (-3.6A)
None
 1.01A 1fduA-3f4nA:
undetectable		 1fduA-3f4nA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g8m SERINE
HYDROXYMETHYLTRANSFE
RASE

(Escherichia
coli) 		PF00464
(SHMT) 		5 GLY A 173
GLY A 125
TYR A 106
SER A 136
VAL A 116
 None
 1.11A 1fduA-3g8mA:
undetectable		 1fduA-3g8mA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g8y SUSD/RAGB-ASSOCIATED
ESTERASE-LIKE
PROTEIN

(Bacteroides
vulgatus) 		PF12715
(Abhydrolase_7) 		5 VAL A 267
GLY A 266
LEU A 326
TYR A 349
VAL A 345
 None
 1.03A 1fduA-3g8yA:
2.8		 1fduA-3g8yA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kds CELL DIVISION
PROTEIN FTSH

(Thermotoga
maritima) 		PF00004
(AAA)
PF01434
(Peptidase_M41) 		5 GLY E 299
LEU E 180
PRO E 194
LEU E 173
VAL E 214
 None
 1.08A 1fduA-3kdsE:
undetectable		 1fduA-3kdsE:
22.31
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.
3kux PUTATIVE
OXIDOREDUCTASE

(Yersinia pestis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 VAL A  35
GLY A  34
LEU A  32
GLY A  11
LEU A  23
 None
 1.09A 1fduA-3kuxA:
3.6		 1fduA-3kuxA:
24.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lkv UNCHARACTERIZED
CONSERVED DOMAIN
PROTEIN

(Vibrio cholerae) 		PF04392
(ABC_sub_bind) 		5 VAL A 164
GLY A 163
LEU A 191
LEU A 182
SER A 183
 None
 1.06A 1fduA-3lkvA:
6.0		 1fduA-3lkvA:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n70 TRANSPORT ACTIVATOR

(Escherichia
coli) 		PF14532
(Sigma54_activ_2) 		6 GLY A 178
GLY A 173
TYR A 199
LEU A 224
SER A 225
VAL A 223
 SO4  A   1 (-3.2A)
None
None
None
None
None
 1.30A 1fduA-3n70A:
undetectable		 1fduA-3n70A:
20.06
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.
3o5a PERIPLASMIC NITRATE
REDUCTASE

(Cupriavidus
necator) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 GLY A  57
LEU A  60
GLY A  42
LEU A 522
VAL A 503
 SF4  A1801 (-3.6A)
None
None
None
None
 0.90A 1fduA-3o5aA:
2.2		 1fduA-3o5aA:
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.
3o6c PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Campylobacter
jejuni) 		PF03740
(PdxJ) 		5 VAL A   5
GLY A   4
LEU A   3
GLY A 232
LEU A 254
 None
None
None
PO4  A 301 (-3.6A)
None
 1.07A 1fduA-3o6cA:
undetectable		 1fduA-3o6cA:
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.
3osu 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Staphylococcus
aureus) 		PF13561
(adh_short_C2) 		5 SER A 141
VAL A 142
TYR A 154
GLY A 185
LEU A 199
 PEG  A 247 ( 4.5A)
None
PEG  A 247 (-4.2A)
None
None
 1.11A 1fduA-3osuA:
27.0		 1fduA-3osuA:
25.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pjy HYPOTHETICAL SIGNAL
PEPTIDE PROTEIN

(Sinorhizobium
meliloti) 		PF02643
(DUF192) 		5 VAL A  51
GLY A  75
LEU A 135
PHE A  78
VAL A 145
 None
 1.00A 1fduA-3pjyA:
undetectable		 1fduA-3pjyA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slk POLYKETIDE SYNTHASE
EXTENDER MODULE 2

(Saccharopolyspora
spinosa) 		PF08240
(ADH_N)
PF08659
(KR)
PF13602
(ADH_zinc_N_2) 		5 SER A 643
VAL A 644
TYR A 656
GLY A 683
PRO A 684
 NDP  A 802 (-3.2A)
None
None
NDP  A 802 (-4.6A)
None
 0.87A 1fduA-3slkA:
17.7		 1fduA-3slkA:
20.78
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.
3stj PROTEASE DEGQ

(Escherichia
coli) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 VAL A 267
GLY A 284
GLY A 246
SER A 250
VAL A 261
 None
 1.09A 1fduA-3stjA:
undetectable		 1fduA-3stjA:
21.98
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.
3uho GLUTAMATE RACEMASE

(Campylobacter
jejuni) 		PF01177
(Asp_Glu_race) 		5 SER A  14
VAL A  15
GLY A  12
GLY A 204
LEU A  78
 None
None
None
None
CL  A 263 (-4.2A)
 1.05A 1fduA-3uhoA:
3.1		 1fduA-3uhoA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bms ALCLOHOL
DEHYDROGENASE/SHORT-
CHAIN DEHYDROGENASE

(Ralstonia sp.
DSMZ 6428) 		PF13561
(adh_short_C2) 		5 SER A 137
VAL A 138
LEU A 144
TYR A 150
GLY A 181
 NAP  A1250 (-3.1A)
None
None
NAP  A1250 (-4.8A)
NAP  A1250 (-4.9A)
 0.60A 1fduA-4bmsA:
28.1		 1fduA-4bmsA:
28.57
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.
4cr6 N-ACYLMANNOSAMINE
1-DEHYDROGENASE

(Flavobacterium
sp. 141-8) 		PF13561
(adh_short_C2) 		5 SER A 153
VAL A 154
TYR A 166
GLY A 197
PRO A 198
 None
 0.54A 1fduA-4cr6A:
24.9		 1fduA-4cr6A:
27.14
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.
4czw PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Neurospora
crassa) 		PF00929
(RNase_T)
PF13423
(UCH_1) 		5 VAL A 845
LEU A 663
PRO A 842
TYR A 665
LEU A 736
 None
 1.04A 1fduA-4czwA:
undetectable		 1fduA-4czwA:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e1j GLYCEROL KINASE

(Sinorhizobium
meliloti) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 SER A 326
GLY A 325
LEU A 307
GLY A 373
PHE A 158
 None
 1.10A 1fduA-4e1jA:
undetectable		 1fduA-4e1jA:
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.
4f6t MOLYBDENUM STORAGE
PROTEIN SUBUNIT BETA

(Azotobacter
vinelandii) 		PF00696
(AA_kinase) 		5 SER B  47
VAL B  48
GLY B  44
GLY B 248
LEU B  72
 ATP  B 301 (-2.6A)
None
ATP  B 301 (-3.3A)
None
None
 1.03A 1fduA-4f6tB:
2.8		 1fduA-4f6tB:
26.82
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.
4gxp BETA-GLUCOSIDASE
CHIMERIC PROTEIN

(Thermotoga
maritima;
Trichoderma
reesei) 		PF00232
(Glyco_hydro_1) 		5 GLY A 373
LEU A 395
GLY A 436
PHE A 376
VAL A 459
 None
 1.07A 1fduA-4gxpA:
2.2		 1fduA-4gxpA:
21.78
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.
4h5i GUANINE
NUCLEOTIDE-EXCHANGE
FACTOR SEC12

(Saccharomyces
cerevisiae) 		no annotation 5 SER A 301
VAL A 293
LEU A 280
TYR A 342
PHE A   3
 None
 1.09A 1fduA-4h5iA:
undetectable		 1fduA-4h5iA:
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.
4jgb PUTATIVE EXPORTED
PROTEIN

(Burkholderia
pseudomallei) 		PF13460
(NAD_binding_10) 		5 VAL A 101
GLY A 102
GLY A  70
PRO A  71
LEU A 155
 None
None
SO4  A 302 (-3.1A)
SO4  A 302 (-3.1A)
None
 0.79A 1fduA-4jgbA:
13.4		 1fduA-4jgbA:
24.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jn6 ACETALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		5 VAL B 178
GLY B 182
GLY B 187
LEU B 257
VAL B 258
 None
 0.96A 1fduA-4jn6B:
7.2		 1fduA-4jn6B:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nbt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Acholeplasma
laidlawii) 		PF13561
(adh_short_C2) 		5 SER A 133
VAL A 134
TYR A 146
GLY A 179
LEU A 193
 NAD  A 301 (-2.7A)
None
NAD  A 301 (-4.3A)
NAD  A 301 (-4.3A)
None
 1.02A 1fduA-4nbtA:
26.6		 1fduA-4nbtA:
25.08
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.
4qfh GLUCOSE-6-PHOSPHATE
ISOMERASE

(Trypanosoma
cruzi) 		PF00342
(PGI) 		6 SER A 337
VAL A 338
GLY A 335
LEU A 330
TYR A 405
LEU A 402
 None
 1.40A 1fduA-4qfhA:
undetectable		 1fduA-4qfhA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rdy PARATHION HYDROLASE

(Vulcanisaeta
moutnovskia) 		PF02126
(PTE) 		5 VAL A 201
GLY A 202
LEU A 222
GLY A 199
VAL A 303
 None
 1.02A 1fduA-4rdyA:
undetectable		 1fduA-4rdyA:
22.81
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.
4rfs SUBSTRATE BINDING
PRITEIN S

(Lactobacillus
brevis) 		PF12822
(ECF_trnsprt) 		5 VAL S  45
GLY S  42
GLY S  61
SER S  91
VAL S 135
 None
 1.09A 1fduA-4rfsS:
undetectable		 1fduA-4rfsS:
22.16
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.
4rm9 EZRIN

(Homo sapiens) 		PF00373
(FERM_M)
PF00769
(ERM)
PF09379
(FERM_N)
PF09380
(FERM_C) 		5 VAL A 220
GLY A 219
LEU A 218
TYR A 228
GLY A 224
 None
 1.13A 1fduA-4rm9A:
undetectable		 1fduA-4rm9A:
19.44
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.
4rma EZRIN

(Homo sapiens) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		5 VAL A 220
GLY A 219
LEU A 218
TYR A 228
GLY A 224
 None
 1.08A 1fduA-4rmaA:
undetectable		 1fduA-4rmaA:
20.58
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.
4ruh CYTOSOLIC
NON-SPECIFIC
DIPEPTIDASE

(Homo sapiens) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLY A  98
LEU A 162
PHE A 424
LEU A  85
VAL A  52
 None
 1.13A 1fduA-4ruhA:
2.4		 1fduA-4ruhA:
22.09
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.
4s13 FERULIC ACID
DECARBOXYLASE 1

(Saccharomyces
cerevisiae) 		PF01977
(UbiD) 		5 VAL A  36
GLY A  37
LEU A 144
PRO A  32
LEU A 153
 None
 1.06A 1fduA-4s13A:
undetectable		 1fduA-4s13A:
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.
4s38 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF04551
(GcpE) 		5 GLY A 147
GLY A 114
PRO A 113
SER A 202
VAL A 214
 None
 0.98A 1fduA-4s38A:
2.7		 1fduA-4s38A:
23.89
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.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		5 VAL A 487
LEU A 531
GLY A 324
PRO A 323
PHE A 319
 None
 1.14A 1fduA-4xnuA:
undetectable		 1fduA-4xnuA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 GLY A1144
LEU A1145
GLY A1174
TYR A1610
LEU A1609
 None
 1.11A 1fduA-5a31A:
undetectable		 1fduA-5a31A:
12.77
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.
5b1u METALLO-BETA-LACTAMA
SE

(Serratia
marcescens) 		PF00753
(Lactamase_B) 		5 SER A  82
GLY A 122
GLY A  80
LEU A 117
SER A 118
 NA  A 305 (-3.2A)
None
None
None
None
 1.10A 1fduA-5b1uA:
undetectable		 1fduA-5b1uA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bul FLAVIN-DEPENDENT
HALOGENASE TRIPLE
MUTANT

(Streptomyces) 		PF04820
(Trp_halogenase) 		5 SER A 212
VAL A 226
GLY A 225
GLY A 247
PHE A 259
 None
 1.12A 1fduA-5bulA:
5.0		 1fduA-5bulA:
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.
5dlc PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Pseudomonas
aeruginosa) 		PF03740
(PdxJ) 		5 VAL A  19
GLY A  18
LEU A  17
GLY A 226
LEU A 248
 None
None
None
PO4  A 301 (-3.5A)
None
 1.05A 1fduA-5dlcA:
undetectable		 1fduA-5dlcA:
23.98
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.
5dmx D-ALANINE--D-ALANINE
LIGASE

(Acinetobacter
baumannii) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 SER A  94
VAL A  91
GLY A  90
GLY A  73
LEU A  82
 None
 0.97A 1fduA-5dmxA:
2.5		 1fduA-5dmxA:
25.47
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 GLY A 150
LEU A 153
GLY A 102
LEU A  94
VAL A 128
 None
 0.98A 1fduA-5dotA:
4.7		 1fduA-5dotA:
13.43
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.
5h68 CHROMOSOME PARTITION
PROTEIN SMC

(Geobacillus
stearothermophilus) 		PF02463
(SMC_N) 		5 SER A 139
GLY A 134
LEU A  48
PRO A1112
VAL A 100
 None
 0.81A 1fduA-5h68A:
undetectable		 1fduA-5h68A:
22.02
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.
5hj5 GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Vibrio cholerae) 		PF01182
(Glucosamine_iso) 		5 VAL A 138
GLY A 137
GLY A 142
PHE A 146
LEU A 194
 None
F6R  A 301 (-3.2A)
None
F6R  A 301 ( 4.7A)
None
 1.08A 1fduA-5hj5A:
undetectable		 1fduA-5hj5A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE

(Bacillus
subtilis) 		PF13561
(adh_short_C2) 		5 SER A 141
VAL A 142
GLY A 143
TYR A 154
GLY A 185
 None
 0.47A 1fduA-5itwA:
27.7		 1fduA-5itwA:
27.54
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.
5jyd SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 SER A 206
VAL A 207
TYR A 219
GLY A 250
PRO A 251
 NAD  A 901 (-3.1A)
None
NAD  A 901 (-4.6A)
IOD  A 903 (-4.5A)
IOD  A 903 (-4.4A)
 0.64A 1fduA-5jydA:
25.6		 1fduA-5jydA:
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.
5kzt PEPTIDE/NICKEL
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN

(Listeria
monocytogenes) 		PF00496
(SBP_bac_5) 		5 TYR A 143
GLY A 456
PHE A 193
LEU A 466
SER A 463
 None
 1.09A 1fduA-5kztA:
undetectable		 1fduA-5kztA:
20.80
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.
5mus L PROTEIN

(California
reptarenavirus) 		no annotation 5 VAL A1975
LEU A2003
TYR A1966
PHE A1985
VAL A2027
 None
 1.03A 1fduA-5musA:
undetectable		 1fduA-5musA:
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.
5tvg ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Burkholderia
vietnamiensis) 		PF00982
(Glyco_transf_20) 		5 VAL A  26
GLY A  27
LEU A 442
GLY A  22
LEU A 437
 None
 1.12A 1fduA-5tvgA:
2.0		 1fduA-5tvgA:
22.20
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.
5unl 3-KETOACYL-ACP
REDUCTASE

(Burkholderia
multivorans) 		PF13561
(adh_short_C2) 		5 SER A 148
VAL A 149
LEU A 265
TYR A 161
GLY A 192
 NO3  A 306 ( 4.5A)
None
None
None
None
 0.86A 1fduA-5unlA:
26.5		 1fduA-5unlA:
27.70
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.
5v8e BACILLUS CEREUS
PATB1

(Bacillus cereus) 		no annotation 5 GLY A 207
TYR A 196
PRO A 140
TYR A 307
SER A 337
 None
None
None
None
CIT  A 401 (-2.5A)
 1.09A 1fduA-5v8eA:
undetectable		 1fduA-5v8eA:
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.
6aqh LYSINE--TRNA LIGASE

(Mycolicibacterium
thermoresistibile) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 VAL A 377
GLY A 378
LEU A 381
PHE A 390
SER A 322
 None
 1.12A 1fduA-6aqhA:
undetectable		 1fduA-6aqhA:
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.
6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2

(Homo sapiens) 		no annotation 5 VAL A 333
GLY A 332
GLY A 349
LEU A 318
SER A 316
 None
None
None
None
CL  A 503 (-3.1A)
 1.13A 1fduA-6bqlA:
undetectable		 1fduA-6bqlA:
11.75
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.
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1

(Homo sapiens) 		no annotation 5 VAL A 296
GLY A 295
GLY A 312
LEU A 281
SER A 279
 None
 1.11A 1fduA-6ccfA:
undetectable		 1fduA-6ccfA:
12.10
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.
6cim V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 2

(Mus musculus) 		no annotation 5 SER B 104
LEU B  69
GLY B  96
PRO B  75
VAL B  45
 None
 1.11A 1fduA-6cimB:
undetectable		 1fduA-6cimB:
13.10
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.
6cmj CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2

(Homo sapiens) 		no annotation 5 VAL A 333
GLY A 332
GLY A 349
LEU A 318
SER A 316
 None
None
None
None
FMT  A 504 (-2.9A)
 1.09A 1fduA-6cmjA:
undetectable		 1fduA-6cmjA:
10.09
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.
6f5o POLYMERASE ACIDIC
PROTEIN

(Influenza B
virus) 		no annotation 5 VAL A 121
GLY A 122
TYR A 131
TYR A 150
LEU A 177
 None
 1.12A 1fduA-6f5oA:
undetectable		 1fduA-6f5oA:
11.93
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.
6fah CAFFEYL-COA
REDUCTASE-ETF
COMPLEX SUBUNIT CARC
CAFFEYL-COA
REDUCTASE-ETF
COMPLEX SUBUNIT CARD

(Acetobacterium
woodii) 		no annotation 5 SER B 189
VAL B 190
GLY B 191
GLY C  48
LEU C  58
 None
 0.91A 1fduA-6fahB:
2.7		 1fduA-6fahB:
12.70