SIMILAR PATTERNS OF AMINO ACIDS FOR 3FI0_B_TRPB1001_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.
1a3x PYRUVATE KINASE

(Saccharomyces
cerevisiae) 		PF00224
(PK)
PF02887
(PK_C) 		4 VAL A 179
ILE A 137
VAL A 154
VAL A 165
 None
 0.78A 3fi0B-1a3xA:
undetectable		 3fi0B-1a3xA:
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.
1bg6 N-(1-D-CARBOXYLETHYL
)-L-NORVALINE
DEHYDROGENASE

(Arthrobacter
sp. 1C) 		PF02317
(Octopine_DH)
PF02558
(ApbA) 		4 GLY A  15
VAL A  82
VAL A 150
VAL A 152
 None
 0.80A 3fi0B-1bg6A:
undetectable		 3fi0B-1bg6A:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c4x PROTEIN
(2-HYDROXY-6-OXO-6-P
HENYLHEXA-2,4-DIENOA
TE HYDROLASE)

(Rhodococcus
jostii) 		PF12697
(Abhydrolase_6) 		5 GLY A  69
HIS A  35
VAL A 189
VAL A 195
GLN A 199
 None
 1.38A 3fi0B-1c4xA:
undetectable		 3fi0B-1c4xA:
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.
1c9w CHO REDUCTASE

(Cricetulus
griseus) 		PF00248
(Aldo_ket_red) 		4 GLY A  55
ILE A  42
VAL A  31
VAL A  27
 None
 0.73A 3fi0B-1c9wA:
undetectable		 3fi0B-1c9wA:
23.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1d2r PROTEIN
(TRYPTOPHANYL TRNA
SYNTHETASE)

(Geobacillus
stearothermophilus) 		PF00579
(tRNA-synt_1b) 		8 GLY A   7
VAL A  40
HIS A  43
ASP A 132
ILE A 133
VAL A 141
VAL A 143
GLN A 147
 None
 0.44A 3fi0B-1d2rA:
40.9		 3fi0B-1d2rA:
98.77
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.
1gq8 PECTINESTERASE

(Daucus carota) 		PF01095
(Pectinesterase) 		4 GLY A 161
ILE A 159
VAL A 165
GLN A 145
 None
 0.76A 3fi0B-1gq8A:
undetectable		 3fi0B-1gq8A:
21.41
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.
1i7o 4-HYDROXYPHENYLACETA
TE DEGRADATION
BIFUNCTIONAL
ISOMERASE/DECARBOXYL
ASE

(Escherichia
coli) 		PF01557
(FAA_hydrolase) 		5 VAL A 372
HIS A 347
ILE A 343
VAL A 415
VAL A 412
 None
 1.29A 3fi0B-1i7oA:
undetectable		 3fi0B-1i7oA:
24.78
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.
1j1u TYROSYL-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00579
(tRNA-synt_1b) 		4 HIS A  70
ASP A 158
ILE A 159
GLN A 173
 TYR  A 401 (-3.5A)
TYR  A 401 (-3.5A)
None
TYR  A 401 (-3.0A)
 0.42A 3fi0B-1j1uA:
18.8		 3fi0B-1j1uA:
24.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q1n HYPOTHETICAL
ZINC-TYPE ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN IN PRE5-FET4
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ASP A  35
ILE A  36
VAL A 146
VAL A  93
 None
 0.78A 3fi0B-1q1nA:
undetectable		 3fi0B-1q1nA:
23.86
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.
1q5m PROSTAGLANDIN-E2
9-REDUCTASE

(Oryctolagus
cuniculus) 		PF00248
(Aldo_ket_red) 		4 GLY A  20
ILE A  16
VAL A 266
GLN A 190
 None
None
None
NDP  A1003 (-3.7A)
 0.63A 3fi0B-1q5mA:
undetectable		 3fi0B-1q5mA:
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.
1tz0 HYPOTHETICAL PROTEIN

(Bacillus cereus) 		PF03992
(ABM) 		4 VAL A  13
HIS A  90
VAL A  56
VAL A  42
 None
 0.73A 3fi0B-1tz0A:
undetectable		 3fi0B-1tz0A:
15.58
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.
1uep MEMBRANE ASSOCIATED
GUANYLATE KINASE
INVERTED-2 (MAGI-2)

(Homo sapiens) 		PF00595
(PDZ) 		4 GLY A  29
ILE A  26
VAL A  75
VAL A  67
 None
 0.68A 3fi0B-1uepA:
undetectable		 3fi0B-1uepA:
15.84
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.
1vi1 FATTY
ACID/PHOSPHOLIPID
SYNTHESIS PROTEIN
PLSX

(Bacillus
subtilis) 		PF02504
(FA_synthesis) 		4 GLY A 158
ILE A 202
VAL A 173
VAL A 222
 None
 0.70A 3fi0B-1vi1A:
undetectable		 3fi0B-1vi1A:
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.
1w2w 5-METHYLTHIORIBOSE-1
-PHOSPHATE ISOMERASE
5-METHYLTHIORIBOSE-1
-PHOSPHATE ISOMERASE

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF01008
(IF-2B)
PF01008
(IF-2B) 		4 GLY B 225
ILE B 251
VAL B 227
VAL A 177
 None
 0.80A 3fi0B-1w2wB:
undetectable		 3fi0B-1w2wB:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xg2 PECTINESTERASE 1

(Solanum
lycopersicum) 		PF01095
(Pectinesterase) 		4 GLY A 157
ILE A 155
VAL A 161
GLN A 141
 None
 0.75A 3fi0B-1xg2A:
undetectable		 3fi0B-1xg2A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zov MONOMERIC SARCOSINE
OXIDASE

(Bacillus sp.
NS-129) 		PF01266
(DAO) 		4 GLY A  19
VAL A   6
VAL A  27
GLN A  25
 None
 0.76A 3fi0B-1zovA:
undetectable		 3fi0B-1zovA:
21.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a4m TRYPTOPHANYL-TRNA
SYNTHETASE II

(Deinococcus
radiodurans) 		PF00579
(tRNA-synt_1b) 		4 ASP A 157
ILE A 158
VAL A 166
GLN A 172
 None
 0.79A 3fi0B-2a4mA:
32.0		 3fi0B-2a4mA:
31.67
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.
2a9v GMP SYNTHASE

(Thermoplasma
acidophilum) 		PF00117
(GATase) 		4 GLY A 118
ASP A 178
ILE A 179
VAL A 109
 None
 0.80A 3fi0B-2a9vA:
undetectable		 3fi0B-2a9vA:
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.
2arf WILSON DISEASE
ATPASE

(Homo sapiens) 		PF00702
(Hydrolase) 		4 ASP A1185
ILE A1184
VAL A1056
VAL A1059
 None
 0.80A 3fi0B-2arfA:
undetectable		 3fi0B-2arfA:
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.
2cya TYROSYL-TRNA
SYNTHETASE

(Aeropyrum
pernix) 		PF00579
(tRNA-synt_1b) 		4 GLY A  41
HIS A  77
ASP A 172
ILE A 173
 None
 0.54A 3fi0B-2cyaA:
20.7		 3fi0B-2cyaA:
25.77
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.
2cya TYROSYL-TRNA
SYNTHETASE

(Aeropyrum
pernix) 		PF00579
(tRNA-synt_1b) 		4 HIS A  77
ASP A 172
ILE A 173
GLN A 187
 None
None
None
SO4  A1003 (-3.9A)
 0.55A 3fi0B-2cyaA:
20.7		 3fi0B-2cyaA:
25.77
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.
2cyb TYROSYL-TRNA
SYNTHETASE

(Archaeoglobus
fulgidus) 		PF00579
(tRNA-synt_1b) 		4 GLY A  38
HIS A  74
ASP A 165
GLN A 180
 None
 0.70A 3fi0B-2cybA:
20.2		 3fi0B-2cybA:
24.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2el7 TRYPTOPHANYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00579
(tRNA-synt_1b) 		5 GLY A   7
VAL A  42
ILE A 137
VAL A 145
VAL A 147
 None
 0.58A 3fi0B-2el7A:
31.9		 3fi0B-2el7A:
40.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2el7 TRYPTOPHANYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00579
(tRNA-synt_1b) 		4 VAL A  42
ASP A 136
ILE A 137
VAL A 145
 None
 0.69A 3fi0B-2el7A:
31.9		 3fi0B-2el7A:
40.86
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.
2f43 ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL

(Rattus
norvegicus) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		4 GLY A 250
VAL A 204
VAL A  97
VAL A 129
 None
 0.81A 3fi0B-2f43A:
undetectable		 3fi0B-2f43A:
22.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2g36 TRYPTOPHANYL-TRNA
SYNTHETASE

(Thermotoga
maritima) 		PF00579
(tRNA-synt_1b) 		7 GLY A   6
HIS A  43
ASP A 136
ILE A 137
VAL A 145
VAL A 147
GLN A 151
 TRP  A 401 (-4.1A)
TRP  A 401 (-3.9A)
TRP  A 401 (-3.8A)
TRP  A 401 (-4.9A)
TRP  A 401 (-4.7A)
None
TRP  A 401 (-3.5A)
 0.61A 3fi0B-2g36A:
32.5		 3fi0B-2g36A:
37.99
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.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN B

(Homo sapiens) 		no annotation 4 GLY M 171
ASP M 196
ILE M 194
GLN M 177
 None
 0.81A 3fi0B-2gk1M:
undetectable		 3fi0B-2gk1M:
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.
2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)

(Mus musculus) 		PF00248
(Aldo_ket_red) 		4 GLY A  20
ILE A  16
VAL A 266
GLN A 190
 None
None
None
NAP  A   1 (-3.8A)
 0.62A 3fi0B-2ipfA:
undetectable		 3fi0B-2ipfA:
23.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2is7 ALDOSE REDUCTASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		4 GLY A  55
ILE A  42
VAL A  31
VAL A  27
 None
 0.68A 3fi0B-2is7A:
undetectable		 3fi0B-2is7A:
20.62
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.
2l55 SILB,SILVER EFFLUX
PROTEIN, MFP
COMPONENT OF THE
THREE COMPONENTS
PROTON ANTIPORTER
METAL EFFLUX SYSTEM

(Cupriavidus
metallidurans) 		PF11604
(CusF_Ec) 		4 GLY A  47
ILE A  10
VAL A  54
VAL A  71
 None
 0.79A 3fi0B-2l55A:
undetectable		 3fi0B-2l55A:
14.06
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.
2n59 PUTATIVE
UNCHARACTERIZED
PROTEIN CSGH

(Rhodopseudomonas
palustris) 		no annotation 4 GLY A  29
ILE A  21
VAL A  81
VAL A  86
 None
 0.69A 3fi0B-2n59A:
undetectable		 3fi0B-2n59A:
18.15
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.
2q9v MEMBRANE-ASSOCIATED
GUANYLATE KINASE, WW
AND PDZ
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00595
(PDZ) 		4 GLY A 858
ILE A 855
VAL A 904
VAL A 896
 None
 0.77A 3fi0B-2q9vA:
undetectable		 3fi0B-2q9vA:
17.12
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.
2r7m 5-FORMAMINOIMIDAZOLE
-4-CARBOXAMIDE-1-(BE
TA)-D-RIBOFURANOSYL
5'-MONOPHOSPHATE
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF06849
(DUF1246)
PF06973
(DUF1297) 		4 ASP A 148
ILE A 149
VAL A 153
VAL A 155
 None
 0.75A 3fi0B-2r7mA:
undetectable		 3fi0B-2r7mA:
21.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2yy5 TRYPTOPHANYL-TRNA
SYNTHETASE

(Mycoplasma
pneumoniae) 		PF00579
(tRNA-synt_1b) 		7 GLY A   8
HIS A  44
ASP A 140
ILE A 141
VAL A 149
VAL A 151
GLN A 155
 WSA  A1350 (-3.7A)
WSA  A1350 (-3.5A)
WSA  A1350 (-4.1A)
WSA  A1350 ( 4.9A)
None
WSA  A1350 ( 3.7A)
SO4  A1363 ( 3.2A)
 0.53A 3fi0B-2yy5A:
34.5		 3fi0B-2yy5A:
40.52
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.
2zoo PROBABLE NITRITE
REDUCTASE

(Pseudoalteromonas
haloplanktis) 		PF00034
(Cytochrom_C)
PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		4 GLY A  67
ILE A  70
VAL A  64
VAL A 144
 None
 0.71A 3fi0B-2zooA:
undetectable		 3fi0B-2zooA:
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.
2zua NUCLEOSIDE
DIPHOSPHATE KINASE

(Haloarcula
quadrata) 		PF00334
(NDK) 		4 GLY A  19
ASP A  23
ILE A  24
VAL A  11
 None
 0.79A 3fi0B-2zuaA:
undetectable		 3fi0B-2zuaA:
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.
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix) 		PF00579
(tRNA-synt_1b) 		4 GLY A  76
ASP A 195
ILE A 196
VAL A 212
 TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
 0.44A 3fi0B-3a05A:
22.4		 3fi0B-3a05A:
25.43
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.
3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE

(Klebsiella
pneumoniae) 		PF00465
(Fe-ADH) 		4 ASP A 337
ILE A 338
VAL A 235
GLN A 233
 None
 0.80A 3fi0B-3bfjA:
undetectable		 3fi0B-3bfjA:
23.48
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.
3ce1 SUPEROXIDE DISMUTASE
[CU-ZN]

(Naganishia
liquefaciens) 		PF00080
(Sod_Cu) 		4 VAL A  17
ILE A  21
VAL A 101
VAL A  91
 None
 0.72A 3fi0B-3ce1A:
undetectable		 3fi0B-3ce1A:
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.
3dmy PROTEIN FDRA

(Escherichia
coli) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		4 GLY A 405
ASP A 403
VAL A 410
GLN A 409
 None
 0.80A 3fi0B-3dmyA:
undetectable		 3fi0B-3dmyA:
21.02
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.
3h95 NUCLEOSIDE
DIPHOSPHATE-LINKED
MOIETY X MOTIF 6

(Homo sapiens) 		PF00293
(NUDIX) 		4 ASP A 183
ILE A 184
VAL A 146
GLN A 143
 None
 0.78A 3fi0B-3h95A:
undetectable		 3fi0B-3h95A:
19.76
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.
3jrr INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 3

(Mus musculus) 		PF08709
(Ins145_P3_rec) 		4 GLY A 119
ILE A 122
VAL A 116
VAL A 177
 None
 0.59A 3fi0B-3jrrA:
undetectable		 3fi0B-3jrrA:
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.
3k53 FERROUS IRON
TRANSPORT PROTEIN B

(Pyrococcus
furiosus) 		PF02421
(FeoB_N) 		4 VAL A  89
ASP A  87
ILE A 112
VAL A 140
 None
 0.78A 3fi0B-3k53A:
undetectable		 3fi0B-3k53A:
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.
3krb ALDOSE REDUCTASE

(Giardia
intestinalis) 		PF00248
(Aldo_ket_red) 		4 GLY A  47
ILE A  34
VAL A  23
VAL A  19
 None
 0.81A 3fi0B-3krbA:
undetectable		 3fi0B-3krbA:
22.14
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.
3kzv UNCHARACTERIZED
OXIDOREDUCTASE
YIR035C

(Saccharomyces
cerevisiae) 		PF00106
(adh_short) 		4 GLY A   9
ILE A  14
VAL A 135
VAL A  83
 GOL  A 255 (-3.3A)
None
None
None
 0.74A 3fi0B-3kzvA:
undetectable		 3fi0B-3kzvA:
22.65
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.
3ln3 DIHYDRODIOL
DEHYDROGENASE

(Mus musculus) 		PF00248
(Aldo_ket_red) 		4 GLY A  20
ILE A  16
VAL A 266
GLN A 190
 None
None
None
NAD  A 327 (-3.6A)
 0.68A 3fi0B-3ln3A:
undetectable		 3fi0B-3ln3A:
23.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3m5w TRYPTOPHANYL-TRNA
SYNTHETASE

(Campylobacter
jejuni) 		PF00579
(tRNA-synt_1b) 		7 GLY A   6
HIS A  42
ASP A 131
ILE A 132
VAL A 140
VAL A 142
GLN A 146
 None
 0.58A 3fi0B-3m5wA:
32.7		 3fi0B-3m5wA:
39.47
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.
3m7n PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1

(Archaeoglobus
fulgidus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		4 GLY D  58
ASP D 124
ILE D 125
VAL D 153
 None
 0.73A 3fi0B-3m7nD:
undetectable		 3fi0B-3m7nD:
24.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n9i TRYPTOPHANYL-TRNA
SYNTHETASE

(Yersinia pestis) 		PF00579
(tRNA-synt_1b) 		7 GLY A  21
VAL A  54
HIS A  57
ASP A 147
ILE A 148
VAL A 156
GLN A 162
 GOL  A1001 (-3.6A)
GOL  A1001 (-4.6A)
GOL  A1001 ( 4.7A)
GOL  A1001 (-3.9A)
None
None
None
 0.40A 3fi0B-3n9iA:
37.8		 3fi0B-3n9iA:
54.94
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.
3o66 GLYCINE
BETAINE/CARNITINE/CH
OLINE ABC
TRANSPORTER

(Staphylococcus
aureus) 		PF04069
(OpuAC) 		4 GLY A 219
ASP A 223
ILE A 226
VAL A 233
 None
ACT  A 323 (-4.3A)
None
None
 0.80A 3fi0B-3o66A:
undetectable		 3fi0B-3o66A:
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.
3pa7 70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE

(Plasmodium
vivax) 		PF00254
(FKBP_C) 		5 VAL A  73
ASP A  78
ILE A  79
VAL A  17
VAL A  92
 None
 1.02A 3fi0B-3pa7A:
undetectable		 3fi0B-3pa7A:
19.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3prh TRYPTOPHANYL-TRNA
SYNTHETASE

(Bacillus
subtilis) 		PF00579
(tRNA-synt_1b) 		6 GLY A   8
VAL A  41
HIS A  44
ASP A 133
ILE A 134
GLN A 148
 None
 0.41A 3fi0B-3prhA:
39.6		 3fi0B-3prhA:
69.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3prh TRYPTOPHANYL-TRNA
SYNTHETASE

(Bacillus
subtilis) 		PF00579
(tRNA-synt_1b) 		6 GLY A   8
VAL A  41
HIS A  44
ASP A 133
ILE A 134
VAL A 142
 None
 0.39A 3fi0B-3prhA:
39.6		 3fi0B-3prhA:
69.44
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.
3q4g NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Vibrio cholerae) 		PF02540
(NAD_synthase) 		4 GLY A 160
ILE A 155
VAL A  41
GLN A  74
 None
 0.74A 3fi0B-3q4gA:
2.0		 3fi0B-3q4gA:
22.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3sz3 TRYPTOPHANYL-TRNA
SYNTHETASE

(Vibrio cholerae) 		PF00579
(tRNA-synt_1b) 		6 GLY A   9
VAL A  42
ASP A 135
ILE A 136
VAL A 144
VAL A 146
 TRP  A 401 (-3.8A)
TRP  A 401 (-4.7A)
TRP  A 401 (-4.0A)
None
TRP  A 401 (-4.9A)
None
 0.54A 3fi0B-3sz3A:
37.3		 3fi0B-3sz3A:
52.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3sz3 TRYPTOPHANYL-TRNA
SYNTHETASE

(Vibrio cholerae) 		PF00579
(tRNA-synt_1b) 		6 VAL A  42
ASP A 135
ILE A 136
VAL A 144
VAL A 146
GLN A 150
 TRP  A 401 (-4.7A)
TRP  A 401 (-4.0A)
None
TRP  A 401 (-4.9A)
None
TRP  A 401 (-3.8A)
 1.05A 3fi0B-3sz3A:
37.3		 3fi0B-3sz3A:
52.52
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.
3ufa SERINE PROTEASE SPLA

(Staphylococcus
aureus) 		PF00089
(Trypsin) 		4 GLY A 167
ILE A 194
VAL A  35
VAL A  27
 None
 0.79A 3fi0B-3ufaA:
undetectable		 3fi0B-3ufaA:
20.77
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.
3ujz METALLOPROTEASE STCE

(Escherichia
coli) 		PF10462
(Peptidase_M66) 		4 GLY A 844
ASP A 842
VAL A 849
VAL A 895
 None
 0.77A 3fi0B-3ujzA:
undetectable		 3fi0B-3ujzA:
14.12
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.
3v8b PUTATIVE
DEHYDROGENASE,
POSSIBLY
3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		4 GLY A 117
VAL A  63
ILE A 111
GLN A 164
 None
 0.76A 3fi0B-3v8bA:
undetectable		 3fi0B-3v8bA:
23.44
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.
3v98 ARACHIDONATE
5-LIPOXYGENASE

(Homo sapiens) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 GLY A 430
ASP A 293
ILE A 292
GLN A 437
 None
 0.69A 3fi0B-3v98A:
undetectable		 3fi0B-3v98A:
20.38
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.
3wcy INTERFERON
ALPHA/BETA RECEPTOR
1

(Mus musculus) 		PF01108
(Tissue_fac)
PF09294
(Interfer-bind) 		4 GLY A 276
ASP A 300
ILE A 299
GLN A 270
 None
 0.65A 3fi0B-3wcyA:
undetectable		 3fi0B-3wcyA:
20.05
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.
3wia NITRITE REDUCTASE

(Geobacillus
kaustophilus) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLY A  79
ILE A  82
VAL A  76
VAL A 154
 None
 0.81A 3fi0B-3wiaA:
undetectable		 3fi0B-3wiaA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wqy ALANINE--TRNA LIGASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF02272
(DHHA1)
PF07973
(tRNA_SAD) 		4 GLY A 206
ASP A 183
ILE A 184
VAL A 210
 None
 0.79A 3fi0B-3wqyA:
undetectable		 3fi0B-3wqyA:
16.65
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.
4am3 POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Caulobacter
vibrioides) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		4 GLY A 586
ILE A 581
VAL A 589
VAL A 599
 None
 0.80A 3fi0B-4am3A:
undetectable		 3fi0B-4am3A:
19.10
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.
4b62 TSSL1

(Pseudomonas
aeruginosa) 		PF00691
(OmpA) 		4 VAL A 365
ILE A 358
VAL A 332
VAL A 323
 None
 0.79A 3fi0B-4b62A:
undetectable		 3fi0B-4b62A:
20.62
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.
4ci8 ECHINODERM
MICROTUBULE-ASSOCIAT
ED PROTEIN-LIKE 1

(Homo sapiens) 		PF00400
(WD40)
PF03451
(HELP) 		4 GLY A 782
VAL A 253
VAL A 763
VAL A 787
 None
 0.76A 3fi0B-4ci8A:
undetectable		 3fi0B-4ci8A:
18.21
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.
4d7s STHK_CNBD_CGMP

(Spirochaeta
thermophila) 		PF00027
(cNMP_binding) 		4 VAL A 320
ILE A 341
VAL A 346
VAL A 381
 None
 0.80A 3fi0B-4d7sA:
undetectable		 3fi0B-4d7sA:
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.
4dq7 MEMBRANE PROTEIN
PHI6 P5

(Pseudomonas
virus phi6) 		PF10464
(Peptidase_U40) 		4 GLY A 102
VAL A  99
ILE A  92
VAL A  70
 None
 0.81A 3fi0B-4dq7A:
undetectable		 3fi0B-4dq7A:
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.
4j3o OUTER MEMBRANE USHER
PROTEIN FIMD

(Escherichia
coli) 		PF00577
(Usher)
PF13953
(PapC_C)
PF13954
(PapC_N) 		4 VAL D 280
ILE D 256
VAL D 301
GLN D 311
 None
 0.71A 3fi0B-4j3oD:
undetectable		 3fi0B-4j3oD:
17.91
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.
4jqt PUTATIVE GLYCOSYL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF06439
(DUF1080) 		4 VAL A 443
ILE A 336
VAL A 438
VAL A 275
 None
 0.80A 3fi0B-4jqtA:
undetectable		 3fi0B-4jqtA:
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.
4l3a INTERNALIN K

(Listeria
monocytogenes) 		no annotation 4 ASP A 385
ILE A 386
VAL A 431
VAL A 414
 None
 0.76A 3fi0B-4l3aA:
undetectable		 3fi0B-4l3aA:
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.
4lh7 DNA LIGASE

(Enterococcus
faecalis) 		PF01653
(DNA_ligase_aden) 		4 GLY A 233
ILE A 168
VAL A 170
VAL A 229
 None
 0.74A 3fi0B-4lh7A:
undetectable		 3fi0B-4lh7A:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lrs ACETALDEHYDE
DEHYDROGENASE

(Thermomonospora
curvata) 		PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		4 VAL B 249
ILE B 242
VAL B 279
VAL B 225
 None
None
CL  B 402 (-3.8A)
None
 0.66A 3fi0B-4lrsB:
undetectable		 3fi0B-4lrsB:
23.08
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.
4mbg CAAX
FARNESYLTRANSFERASE
ALPHA SUBUNIT RAM2

(Aspergillus
fumigatus) 		PF01239
(PPTA) 		4 VAL A 101
HIS A 105
VAL A  76
GLN A 110
 None
 0.81A 3fi0B-4mbgA:
undetectable		 3fi0B-4mbgA:
20.93
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.
4ns4 ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Psychrobacter
cryohalolentis) 		PF00561
(Abhydrolase_1) 		4 GLY A 143
VAL A 216
ASP A 214
ILE A 211
 None
 0.79A 3fi0B-4ns4A:
undetectable		 3fi0B-4ns4A:
22.89
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.
4rdy PARATHION HYDROLASE

(Vulcanisaeta
moutnovskia) 		PF02126
(PTE) 		4 GLY A  94
ASP A 122
ILE A 123
VAL A 166
 None
 0.81A 3fi0B-4rdyA:
undetectable		 3fi0B-4rdyA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ry9 PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Verminephrobacter
eiseniae) 		PF13407
(Peripla_BP_4) 		4 GLY A 232
VAL A 238
ILE A 162
VAL A 181
 None
 0.76A 3fi0B-4ry9A:
undetectable		 3fi0B-4ry9A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wec SHORT CHAIN
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		4 HIS A 128
ASP A  73
VAL A  58
VAL A  37
 None
 0.78A 3fi0B-4wecA:
undetectable		 3fi0B-4wecA:
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.
5az0 UNCHARACTERIZED
PROTEIN

(Bombyx mori) 		PF00248
(Aldo_ket_red) 		4 GLY A  21
ILE A  17
VAL A 273
GLN A 197
 None
None
None
ACT  A 405 ( 4.8A)
 0.72A 3fi0B-5az0A:
undetectable		 3fi0B-5az0A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bu6 BPSB (PGAB),
POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Bordetella
bronchiseptica) 		PF01522
(Polysacc_deac_1) 		4 VAL A 139
HIS A 189
ASP A 114
VAL A 159
 None
NI  A 401 ( 3.3A)
NI  A 401 (-2.5A)
None
 0.81A 3fi0B-5bu6A:
undetectable		 3fi0B-5bu6A:
20.24
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.
5c93 HISTIDINE KINASE

(Lactobacillus
plantarum) 		PF00512
(HisKA)
PF02518
(HATPase_c) 		4 GLY A 553
ASP A 551
ILE A 547
VAL A 593
 None
None
ACP  A 701 ( 4.8A)
None
 0.74A 3fi0B-5c93A:
undetectable		 3fi0B-5c93A:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e0q NUCLEAR PORE COMPLEX
PROTEIN NUP98-NUP96

(Xenopus
tropicalis) 		PF04096
(Nucleoporin2) 		4 VAL B 767
ILE B 753
VAL B 778
VAL B 787
 None
 0.78A 3fi0B-5e0qB:
undetectable		 3fi0B-5e0qB:
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.
5e7g IPT/TIG
DOMAIN-CONTAINING
PROTEIN BACOVA_02650

(Bacteroides
ovatus) 		no annotation 4 GLY A  60
ILE A  63
VAL A  57
VAL A 131
 None
 0.78A 3fi0B-5e7gA:
undetectable		 3fi0B-5e7gA:
19.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ekd TRYPTOPHAN--TRNA
LIGASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		8 GLY A  40
VAL A  74
HIS A  77
ASP A 167
ILE A 168
VAL A 176
VAL A 178
GLN A 182
 5BX  A 401 (-3.9A)
5BX  A 401 ( 4.9A)
5BX  A 401 (-3.5A)
5BX  A 401 (-3.9A)
5BX  A 401 ( 4.9A)
None
ATP  A 402 (-3.2A)
5BX  A 401 ( 3.0A)
 0.53A 3fi0B-5ekdA:
35.3		 3fi0B-5ekdA:
40.75
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.
5f9q MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN YKNZ

(Bacillus
amyloliquefaciens) 		PF12704
(MacB_PCD) 		4 GLY A 193
VAL A 212
VAL A  52
VAL A  55
 None
 0.72A 3fi0B-5f9qA:
undetectable		 3fi0B-5f9qA:
18.52
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.
5fx8 LINOLEATE
11-LIPOXYGENASE

(Gaeumannomyces
avenae) 		PF00305
(Lipoxygenase) 		4 GLY A 359
ASP A 356
ILE A 355
VAL A 291
 None
 0.81A 3fi0B-5fx8A:
undetectable		 3fi0B-5fx8A:
18.27
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.
5g06 EXOSOME COMPLEX
COMPONENT RRP42

(Saccharomyces
cerevisiae) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		4 VAL E 102
ILE E  95
VAL E  80
VAL E 128
 None
 0.78A 3fi0B-5g06E:
undetectable		 3fi0B-5g06E:
21.69
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.
5hgz N-ALPHA-ACETYLTRANSF
ERASE 60

(Homo sapiens) 		PF00583
(Acetyltransf_1) 		4 HIS A 138
ASP A  81
ILE A  77
VAL A  95
 None
 0.80A 3fi0B-5hgzA:
undetectable		 3fi0B-5hgzA:
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.
5icv N-ALPHA-ACETYLTRANSF
ERASE 60

(Homo sapiens) 		PF00583
(Acetyltransf_1) 		4 HIS A 138
ASP A  81
ILE A  77
VAL A  95
 None
 0.81A 3fi0B-5icvA:
undetectable		 3fi0B-5icvA:
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.
5jzx UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		4 VAL A 109
ILE A 150
VAL A 153
VAL A 192
 None
None
None
FAD  A 401 (-3.7A)
 0.76A 3fi0B-5jzxA:
undetectable		 3fi0B-5jzxA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n8p S-LAYER PROTEIN

(Caulobacter
vibrioides) 		PF00353
(HemolysinCabind) 		4 GLY A 450
ILE A 481
VAL A 457
VAL A 427
 None
 0.82A 3fi0B-5n8pA:
undetectable		 3fi0B-5n8pA:
13.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0h PROTEASOME SUBUNIT
BETA TYPE-7

(Homo sapiens) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		4 GLY O   5
VAL O 155
ILE O   3
VAL O  99
 None
 0.80A 3fi0B-5t0hO:
undetectable		 3fi0B-5t0hO:
21.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tev TRYPTOPHAN--TRNA
LIGASE

(Neisseria
gonorrhoeae) 		PF00579
(tRNA-synt_1b) 		6 GLY A   9
HIS A  47
ASP A 145
ILE A 146
VAL A 154
VAL A 156
 None
 0.40A 3fi0B-5tevA:
32.4		 3fi0B-5tevA:
33.62
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.
5tvo S-ADENOSYLMETHIONINE
DECARBOXYLASE
PROENZYME

(Trypanosoma
brucei) 		PF01536
(SAM_decarbox) 		4 VAL A 119
ILE A 112
VAL A  95
VAL A  90
 None
 0.80A 3fi0B-5tvoA:
undetectable		 3fi0B-5tvoA:
22.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v0i TRYPTOPHAN--TRNA
LIGASE

(Escherichia
coli) 		PF00579
(tRNA-synt_1b) 		8 GLY A   9
VAL A  42
HIS A  45
ASP A 135
ILE A 136
VAL A 144
VAL A 146
GLN A 150
 TRP  A 402 (-3.7A)
TRP  A 402 (-4.7A)
TRP  A 402 (-3.6A)
TRP  A 402 (-3.9A)
None
None
None
TRP  A 402 (-3.1A)
 0.45A 3fi0B-5v0iA:
38.4		 3fi0B-5v0iA:
57.23
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.
5xcx VL-SARAH(S37C)
CHIMERA

(Homo sapiens;
Mus musculus) 		PF07686
(V-set)
PF11629
(Mst1_SARAH) 		4 HIS B  34
ILE B  29
VAL B  25
VAL B   4
 None
 0.80A 3fi0B-5xcxB:
undetectable		 3fi0B-5xcxB:
17.81
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.
6d0p PIRIN FAMILY PROTEIN

(Acinetobacter
baumannii) 		no annotation 4 VAL A 127
ILE A 163
VAL A  94
GLN A 141
 None
 0.78A 3fi0B-6d0pA:
undetectable		 3fi0B-6d0pA:
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.
6dfu TRYPTOPHAN--TRNA
LIGASE

(Haemophilus
influenzae) 		no annotation 8 GLY A   9
VAL A  42
HIS A  45
ASP A 135
ILE A 136
VAL A 144
VAL A 146
GLN A 150
 TRP  A 501 (-3.5A)
TRP  A 501 ( 4.6A)
TRP  A 501 (-4.0A)
TRP  A 501 (-3.9A)
None
None
None
TRP  A 501 (-3.3A)
 0.55A 3fi0B-6dfuA:
38.5		 3fi0B-6dfuA:
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.
6f0k POLYSULPHIDE
REDUCTASE NRFD

(Rhodothermus
marinus) 		no annotation 4 GLY C  23
ASP C  28
VAL C 299
VAL C  20
 None
 0.80A 3fi0B-6f0kC:
undetectable		 3fi0B-6f0kC:
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.
7pcy PLASTOCYANIN

(Ulva prolifera) 		PF00127
(Copper-bind) 		4 GLY A  24
ILE A  27
VAL A  21
VAL A  98
 None
 0.75A 3fi0B-7pcyA:
undetectable		 3fi0B-7pcyA:
14.86