SIMILAR PATTERNS OF AMINO ACIDS FOR 3FI0_F_TRPF1001

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.
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
 1.40A 3fi0F-1c4xA:
1.3		 3fi0F-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.
1cf2 PROTEIN
(GLYCERALDEHYDE-3-PH
OSPHATE
DEHYDROGENASE)

(Methanothermus
fervidus) 		no annotation 5 GLY P   8
ASP P  84
ILE P  83
VAL P  16
VAL P  12
 NAP  P 340 (-3.2A)
None
None
None
NAP  P 340 (-3.9A)
 1.38A 3fi0F-1cf2P:
1.2		 3fi0F-1cf2P:
23.73
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) 		9 GLY A   7
GLN A   9
VAL A  40
HIS A  43
ASP A 132
ILE A 133
VAL A 141
VAL A 143
GLN A 147
 None
 0.65A 3fi0F-1d2rA:
41.1		 3fi0F-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.
1dms DMSO REDUCTASE

(Rhodobacter
capsulatus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 GLY A 699
VAL A 663
ILE A 713
VAL A 689
VAL A 761
 None
 1.21A 3fi0F-1dmsA:
0.8		 3fi0F-1dmsA:
18.99
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.
1eu1 DIMETHYL SULFOXIDE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 GLY A 699
VAL A 663
ILE A 713
VAL A 689
VAL A 761
 None
 1.21A 3fi0F-1eu1A:
0.6		 3fi0F-1eu1A:
18.44
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.
1hju BETA-1,4-GALACTANASE

(Thermothelomyces
thermophila) 		PF07745
(Glyco_hydro_53) 		5 GLY A 133
GLN A  92
HIS A  81
ASP A  79
ILE A  78
 None
 1.30A 3fi0F-1hjuA:
0.0		 3fi0F-1hjuA:
24.27
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.
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 3fi0F-1i7oA:
0.0		 3fi0F-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) 		5 GLY A  34
HIS A  70
ASP A 158
ILE A 159
GLN A 173
 TYR  A 401 (-3.4A)
TYR  A 401 (-3.5A)
TYR  A 401 (-3.5A)
None
TYR  A 401 (-3.0A)
 0.83A 3fi0F-1j1uA:
18.7		 3fi0F-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.
1ufr PYR MRNA-BINDING
ATTENUATION PROTEIN

(Thermus
thermophilus) 		PF00156
(Pribosyltran) 		5 GLY A  43
HIS A  40
ASP A 104
VAL A 164
VAL A 167
 None
 1.29A 3fi0F-1ufrA:
0.0		 3fi0F-1ufrA:
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.
1vkz PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermotoga
maritima) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 GLY A 221
VAL A 320
HIS A 365
ASP A 318
VAL A 202
 None
 1.29A 3fi0F-1vkzA:
undetectable		 3fi0F-1vkzA:
21.48
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.
1vp8 HYPOTHETICAL PROTEIN
AF0103

(Archaeoglobus
fulgidus) 		PF02887
(PK_C) 		5 GLY A 142
HIS A 169
ILE A 144
VAL A  58
VAL A  90
 None
 1.29A 3fi0F-1vp8A:
undetectable		 3fi0F-1vp8A:
19.82
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.
1vp8 HYPOTHETICAL PROTEIN
AF0103

(Archaeoglobus
fulgidus) 		PF02887
(PK_C) 		5 GLY A 142
HIS A 169
ILE A 144
VAL A  90
GLN A  92
 None
 1.09A 3fi0F-1vp8A:
undetectable		 3fi0F-1vp8A:
19.82
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.
1xfg GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING]

(Escherichia
coli) 		PF13522
(GATase_6) 		5 GLY A  68
VAL A  12
ILE A 189
VAL A 159
VAL A  96
 None
 1.03A 3fi0F-1xfgA:
undetectable		 3fi0F-1xfgA:
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.
1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 GLY A 665
GLN A 663
VAL A 638
HIS A 616
ILE A 409
 None
 1.40A 3fi0F-1xpgA:
undetectable		 3fi0F-1xpgA:
18.95
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.
1yul PROBABLE
NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF01467
(CTP_transf_like) 		5 GLN A  55
VAL A  51
ILE A 182
VAL A 196
VAL A 200
 None
 1.45A 3fi0F-1yulA:
undetectable		 3fi0F-1yulA:
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.
1zy8 DIHYDROLIPOYL
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLN A   3
ASP A   6
VAL A  33
VAL A 115
GLN A 137
 None
 1.35A 3fi0F-1zy8A:
undetectable		 3fi0F-1zy8A:
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.
2cyb TYROSYL-TRNA
SYNTHETASE

(Archaeoglobus
fulgidus) 		PF00579
(tRNA-synt_1b) 		5 GLY A  38
HIS A  74
ASP A 165
ILE A 166
GLN A 180
 None
 0.72A 3fi0F-2cybA:
14.4		 3fi0F-2cybA:
24.66
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.
2cyc TYROSYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00579
(tRNA-synt_1b) 		5 GLY A  39
HIS A  76
ASP A 175
ILE A 176
GLN A 190
 TYR  A 701 (-3.4A)
TYR  A 701 (-3.7A)
TYR  A 701 (-3.4A)
None
TYR  A 701 (-3.3A)
 0.95A 3fi0F-2cycA:
12.0		 3fi0F-2cycA:
25.18
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.
2e32 F-BOX ONLY PROTEIN 2

(Mus musculus) 		PF00646
(F-box)
PF04300
(FBA) 		5 VAL A 288
HIS A 272
ASP A 209
ILE A 254
VAL A 243
 None
 1.18A 3fi0F-2e32A:
undetectable		 3fi0F-2e32A:
24.00
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 GLN A   9
VAL A  42
ASP A 136
ILE A 137
VAL A 145
 None
 1.13A 3fi0F-2el7A:
31.9		 3fi0F-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) 		5 GLY A   7
GLN A   9
VAL A  42
ILE A 137
VAL A 145
 None
 0.84A 3fi0F-2el7A:
31.9		 3fi0F-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) 		5 GLY A   7
GLN A   9
VAL A  42
VAL A 145
GLN A 151
 None
 1.16A 3fi0F-2el7A:
31.9		 3fi0F-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) 		5 GLY A   7
VAL A  42
ILE A 137
VAL A 145
VAL A 147
 None
 0.58A 3fi0F-2el7A:
31.9		 3fi0F-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) 		5 GLY A   7
VAL A  42
VAL A 145
VAL A 147
GLN A 151
 None
 0.94A 3fi0F-2el7A:
31.9		 3fi0F-2el7A:
40.86
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)
 0.67A 3fi0F-2g36A:
28.2		 3fi0F-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.
2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)

(Mus musculus) 		PF00248
(Aldo_ket_red) 		5 GLY A  20
ILE A  16
VAL A 266
VAL A 214
GLN A 190
 None
None
None
None
NAP  A   1 (-3.8A)
 1.14A 3fi0F-2ipfA:
undetectable		 3fi0F-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.
2j1q ARGININE KINASE

(Trypanosoma
cruzi) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 GLN A  38
VAL A  35
ILE A  85
VAL A  67
VAL A  53
 None
 1.16A 3fi0F-2j1qA:
undetectable		 3fi0F-2j1qA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j23 THIOREDOXIN

(Malassezia
sympodialis) 		PF00085
(Thioredoxin) 		5 VAL A  89
ASP A  87
ILE A  86
VAL A  20
VAL A  52
 None
 1.16A 3fi0F-2j23A:
undetectable		 3fi0F-2j23A:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j6h GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF01380
(SIS)
PF13522
(GATase_6) 		5 GLY A  68
VAL A  12
ILE A 189
VAL A 159
VAL A  96
 None
 1.08A 3fi0F-2j6hA:
undetectable		 3fi0F-2j6hA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jtc STREPTOPAIN

(Streptococcus
pyogenes) 		PF01640
(Peptidase_C10) 		5 VAL A   4
ASP A 175
ILE A 174
VAL A 184
GLN A 182
 None
 1.43A 3fi0F-2jtcA:
undetectable		 3fi0F-2jtcA:
20.35
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.
2l8b PROTEIN TRAI

(Escherichia
coli) 		no annotation 5 GLN A 492
ASP A 523
VAL A 532
VAL A 505
GLN A 464
 None
 1.44A 3fi0F-2l8bA:
undetectable		 3fi0F-2l8bA:
22.47
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.
2pa4 UTP-GLUCOSE-1-PHOSPH
ATE
URIDYLYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF00483
(NTP_transferase) 		5 GLY A 123
GLN A 112
ILE A 224
VAL A 136
VAL A  16
 None
UPG  A 326 (-3.2A)
None
None
None
 1.24A 3fi0F-2pa4A:
undetectable		 3fi0F-2pa4A:
21.14
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.
2pa4 UTP-GLUCOSE-1-PHOSPH
ATE
URIDYLYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF00483
(NTP_transferase) 		5 GLY A 123
GLN A 112
ILE A 224
VAL A 136
VAL A 138
 None
UPG  A 326 (-3.2A)
None
None
None
 1.36A 3fi0F-2pa4A:
undetectable		 3fi0F-2pa4A:
21.14
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.
2uwf ALKALINE ACTIVE
ENDOXYLANASE

(Bacillus
halodurans) 		PF00331
(Glyco_hydro_10) 		5 GLN A 291
ASP A 360
ILE A 359
VAL A 351
GLN A  12
 None
CA  A1368 (-3.0A)
None
None
None
 1.25A 3fi0F-2uwfA:
undetectable		 3fi0F-2uwfA:
21.61
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.
2vn1 70 KDA
PEPTIDYLPROLYL
ISOMERASE

(Plasmodium
falciparum) 		PF00254
(FKBP_C) 		5 VAL A  74
ASP A  79
ILE A  80
VAL A  18
VAL A  93
 FK5  A 501 (-3.5A)
None
None
None
None
 1.12A 3fi0F-2vn1A:
undetectable		 3fi0F-2vn1A:
22.87
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.
2xqy ENVELOPE
GLYCOPROTEIN H

(Suid
alphaherpesvirus
1) 		PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C) 		5 GLY A 274
VAL A 163
ILE A 186
VAL A 237
VAL A 279
 None
 1.31A 3fi0F-2xqyA:
undetectable		 3fi0F-2xqyA:
20.31
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) 		8 GLY A   8
GLN A  10
HIS A  44
ASP A 140
ILE A 141
VAL A 149
VAL A 151
GLN A 155
 WSA  A1350 (-3.7A)
WSA  A1350 (-3.6A)
WSA  A1350 (-3.5A)
WSA  A1350 (-4.1A)
WSA  A1350 ( 4.9A)
None
WSA  A1350 ( 3.7A)
SO4  A1363 ( 3.2A)
 0.69A 3fi0F-2yy5A:
34.5		 3fi0F-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.
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix) 		PF00579
(tRNA-synt_1b) 		5 GLY A  76
ASP A 195
ILE A 196
VAL A 212
GLN A 218
 TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
None
 1.11A 3fi0F-3a05A:
22.1		 3fi0F-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.
3c8e YGHU, GLUTATHIONE
S-TRANSFERASE
HOMOLOGUE

(Escherichia
coli) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		5 GLY A 217
GLN A 240
VAL A 220
ILE A 212
VAL A 246
 None
 1.42A 3fi0F-3c8eA:
undetectable		 3fi0F-3c8eA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3edm SHORT CHAIN
DEHYDROGENASE

(Agrobacterium
fabrum) 		PF13561
(adh_short_C2) 		5 GLY A  15
ASP A  17
ILE A  18
VAL A  91
VAL A  11
 None
 1.18A 3fi0F-3edmA:
undetectable		 3fi0F-3edmA:
21.60
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.
3fbk REGULATOR OF
G-PROTEIN SIGNALING
3

(Homo sapiens) 		PF00168
(C2) 		5 GLY A  55
GLN A  36
ILE A  52
VAL A  70
VAL A 118
 None
 1.43A 3fi0F-3fbkA:
undetectable		 3fi0F-3fbkA:
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Schizosaccharomyces
pombe) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 GLY A1068
HIS A1373
VAL A 856
VAL A 862
GLN A 871
 None
 0.96A 3fi0F-3h0gA:
undetectable		 3fi0F-3h0gA:
12.62
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.
3hm7 ALLANTOINASE

(Bacillus
halodurans) 		PF01979
(Amidohydro_1) 		5 GLY A 257
ILE A 252
VAL A 262
VAL A 260
GLN A 232
 None
 1.09A 3fi0F-3hm7A:
undetectable		 3fi0F-3hm7A:
20.69
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.
3il7 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Staphylococcus
aureus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 167
GLN A 127
ILE A   5
VAL A 164
VAL A 136
 None
 1.26A 3fi0F-3il7A:
undetectable		 3fi0F-3il7A:
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.
3ix6 THYMIDYLATE SYNTHASE

(Brucella
melitensis) 		PF00303
(Thymidylat_synt) 		5 GLN A 165
VAL A 174
ILE A 208
VAL A  11
VAL A  29
 None
 1.44A 3fi0F-3ix6A:
undetectable		 3fi0F-3ix6A:
22.08
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.
3loq UNIVERSAL STRESS
PROTEIN

(Archaeoglobus
fulgidus) 		PF00582
(Usp) 		6 GLY A 124
VAL A 241
HIS A 127
ASP A 128
ILE A  94
VAL A 133
 None
 1.47A 3fi0F-3loqA:
3.5		 3fi0F-3loqA:
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.
3lpm PUTATIVE
METHYLTRANSFERASE

(Listeria
monocytogenes) 		PF05175
(MTS) 		5 ASP A  36
ILE A  35
VAL A 232
VAL A 230
GLN A 199
 None
 1.39A 3fi0F-3lpmA:
undetectable		 3fi0F-3lpmA:
21.28
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
 0.62A 3fi0F-3m5wA:
25.6		 3fi0F-3m5wA:
39.47
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
GLN A  23
VAL A  54
HIS A  57
ASP A 147
ILE A 148
VAL A 156
 GOL  A1001 (-3.6A)
None
GOL  A1001 (-4.6A)
GOL  A1001 ( 4.7A)
GOL  A1001 (-3.9A)
None
None
 0.41A 3fi0F-3n9iA:
29.2		 3fi0F-3n9iA:
54.94
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) 		5 GLY A  21
GLN A  23
VAL A  54
HIS A  57
VAL A 156
 GOL  A1001 (-3.6A)
None
GOL  A1001 (-4.6A)
GOL  A1001 ( 4.7A)
None
 1.10A 3fi0F-3n9iA:
29.2		 3fi0F-3n9iA:
54.94
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
 0.39A 3fi0F-3n9iA:
29.2		 3fi0F-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.
3ogz UDP-SUGAR
PYROPHOSPHORYLASE

(Leishmania
major) 		PF01704
(UDPGP) 		5 GLN A 270
VAL A 120
HIS A 224
VAL A 380
GLN A 407
 None
 1.30A 3fi0F-3ogzA:
undetectable		 3fi0F-3ogzA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.04A 3fi0F-3pa7A:
undetectable		 3fi0F-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) 		8 GLY A   8
GLN A  10
VAL A  41
HIS A  44
ASP A 133
ILE A 134
VAL A 142
GLN A 148
 None
 0.71A 3fi0F-3prhA:
32.1		 3fi0F-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) 		5 GLY A   8
VAL A  41
HIS A  44
ASP A 133
VAL A 142
 None
 1.01A 3fi0F-3prhA:
32.1		 3fi0F-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.
3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)

(Mycobacterium
ulcerans) 		PF01053
(Cys_Met_Meta_PP) 		5 VAL A 298
ASP A 165
ILE A 169
VAL A 153
VAL A 182
 None
 1.34A 3fi0F-3qi6A:
undetectable		 3fi0F-3qi6A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qsg NAD-BINDING
PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF03807
(F420_oxidored)
PF09130
(DUF1932) 		5 GLY A  80
GLN A  77
VAL A 106
ILE A  63
VAL A  53
 None
 1.37A 3fi0F-3qsgA:
undetectable		 3fi0F-3qsgA:
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.
3r68 NA(+)/H(+) EXCHANGE
REGULATORY COFACTOR
NHE-RF3

(Mus musculus) 		PF00595
(PDZ) 		5 GLY A 303
HIS A 301
ILE A 308
VAL A 291
VAL A 296
 None
ZN  A   7 ( 3.2A)
None
None
None
 1.13A 3fi0F-3r68A:
undetectable		 3fi0F-3r68A:
16.56
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) 		5 GLY A   9
GLN A  11
VAL A  42
ASP A 135
ILE A 136
 TRP  A 401 (-3.8A)
TRP  A 401 (-3.2A)
TRP  A 401 (-4.7A)
TRP  A 401 (-4.0A)
None
 0.79A 3fi0F-3sz3A:
37.3		 3fi0F-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 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
 0.60A 3fi0F-3sz3A:
37.3		 3fi0F-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)
 1.11A 3fi0F-3sz3A:
37.3		 3fi0F-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.
3u0f BETA-KETOACYL
SYNTHASE

(Brucella
abortus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLN A 406
ASP A 291
ILE A 290
VAL A 401
VAL A 256
 None
 0.90A 3fi0F-3u0fA:
undetectable		 3fi0F-3u0fA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vex O-CARBAMOYLTRANSFERA
SE TOBZ

(Streptoalloteichus
tenebrarius) 		PF02543
(Carbam_trans_N)
PF16861
(Carbam_trans_C) 		5 GLY A 309
HIS A 114
ASP A 338
ILE A 339
VAL A 335
 CA0  A 602 ( 4.0A)
FE2  A 601 ( 3.4A)
CA0  A 602 ( 2.8A)
None
None
 1.14A 3fi0F-3vexA:
undetectable		 3fi0F-3vexA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wvl 10 KDA CHAPERONIN

(Escherichia
coli) 		PF00166
(Cpn10) 		5 VAL O  73
ASP O  90
ILE O  91
VAL O  65
VAL O  40
 None
 1.38A 3fi0F-3wvlO:
undetectable		 3fi0F-3wvlO:
16.41
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.
4ay1 CHITINASE-3-LIKE
PROTEIN 2

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 GLN A 322
VAL A 324
HIS A 226
ASP A 337
ILE A 266
 None
 1.21A 3fi0F-4ay1A:
undetectable		 3fi0F-4ay1A:
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.
4b5m PUTATIVE
EXODEOXYRIBONUCLEASE

(Neisseria
meningitidis) 		PF03372
(Exo_endo_phos) 		5 ASP A  30
ILE A  31
VAL A 105
VAL A 145
GLN A 223
 None
 1.23A 3fi0F-4b5mA:
undetectable		 3fi0F-4b5mA:
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.
4buj ANTIVIRAL HELICASE
SKI2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF08148
(DSHCT) 		5 GLY A 762
GLN A 759
ILE A 510
VAL A 775
VAL A 736
 None
 1.43A 3fi0F-4bujA:
undetectable		 3fi0F-4bujA:
16.25
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.
4cvh ISOPRENOID SYNTHASE
DOMAIN-CONTAINING
PROTEIN

(Homo sapiens) 		PF01128
(IspD) 		5 GLN A 283
VAL A 313
ILE A 433
VAL A 372
VAL A 370
 None
 1.23A 3fi0F-4cvhA:
undetectable		 3fi0F-4cvhA:
21.84
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.
4e2o ALPHA-AMYLASE

(Geobacillus
thermoleovorans) 		PF00128
(Alpha-amylase) 		5 GLY A 259
GLN A 228
ASP A 257
VAL A 247
VAL A 219
 None
 1.34A 3fi0F-4e2oA:
undetectable		 3fi0F-4e2oA:
23.21
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.
4gis ENOLASE

(Vibrio harveyi) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 355
VAL A 123
HIS A 335
ILE A 353
GLN A 145
 None
 1.29A 3fi0F-4gisA:
undetectable		 3fi0F-4gisA:
21.48
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.
4ha7 2,5-DIAMINO-6-RIBOSY
LAMINO-4(3H)-PYRIMID
INONE 5'-PHOSPHATE
REDUCTASE

(Saccharomyces
cerevisiae) 		PF01872
(RibD_C) 		5 GLN A 188
VAL A 185
ILE A 103
VAL A 177
VAL A  32
 None
 1.33A 3fi0F-4ha7A:
undetectable		 3fi0F-4ha7A:
23.37
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.
4k0e HEAVY METAL CATION
TRICOMPONENT EFFLUX
PUMP ZNEA(CZCA-LIKE)

(Cupriavidus
metallidurans) 		PF00873
(ACR_tran) 		5 GLY A 739
GLN A 182
VAL A 755
ILE A 737
GLN A 266
 None
 1.37A 3fi0F-4k0eA:
undetectable		 3fi0F-4k0eA:
15.94
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.
4l3a INTERNALIN K

(Listeria
monocytogenes) 		no annotation 5 VAL A 377
ASP A 385
ILE A 386
VAL A 431
VAL A 414
 None
 1.21A 3fi0F-4l3aA:
undetectable		 3fi0F-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.
4oko RAPID ENCYSTMENT
PHENOTYPE PROTEIN 34
KDA

(Francisella
tularensis) 		PF00246
(Peptidase_M14) 		5 GLY A  83
VAL A  85
HIS A 171
ASP A 169
ILE A 168
 None
None
ZN  A 401 (-3.1A)
None
None
 1.30A 3fi0F-4okoA:
undetectable		 3fi0F-4okoA:
21.14
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.
4qiw DNA-DIRECTED RNA
POLYMERASE
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A''

(Thermococcus
kodakarensis;
Thermococcus
kodakarensis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF04998
(RNA_pol_Rpb1_5) 		5 GLY C  65
HIS C 304
VAL A 854
VAL A 860
GLN A 869
 None
 1.03A 3fi0F-4qiwC:
undetectable		 3fi0F-4qiwC:
24.21
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.
4qiw DNA-DIRECTED RNA
POLYMERASE
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A''

(Thermococcus
kodakarensis;
Thermococcus
kodakarensis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF04998
(RNA_pol_Rpb1_5) 		5 HIS C 304
ILE C  58
VAL A 854
VAL A 860
GLN A 869
 None
 1.20A 3fi0F-4qiwC:
undetectable		 3fi0F-4qiwC:
24.21
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.
4r72 ABC-TYPE FE3+
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Actinobacillus
pleuropneumoniae) 		PF13343
(SBP_bac_6) 		5 GLN A  83
ASP A 250
VAL A 233
VAL A 102
GLN A 258
 None
 1.22A 3fi0F-4r72A:
undetectable		 3fi0F-4r72A:
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.
4w91 AMINOTRANSFERASE

(Brucella suis) 		PF00266
(Aminotran_5) 		5 GLY A 246
GLN A 249
ILE A  96
VAL A 220
GLN A 221
 None
 1.25A 3fi0F-4w91A:
undetectable		 3fi0F-4w91A:
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.
4xox 3-OXOACYL-ACP
SYNTHASE

(Vibrio cholerae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLN A 402
ASP A 290
ILE A 289
VAL A 397
VAL A 256
 None
 0.89A 3fi0F-4xoxA:
undetectable		 3fi0F-4xoxA:
23.58
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.
4ztx COBALAMIN-INDEPENDEN
T METHIONINE
SYNTHASE

(Neurospora
crassa) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 GLY A  54
ASP A  56
VAL A 364
VAL A 361
GLN A  50
 None
 1.39A 3fi0F-4ztxA:
undetectable		 3fi0F-4ztxA:
17.90
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.
5dan 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE

(Thermotoga
maritima) 		PF00248
(Aldo_ket_red) 		5 GLY A  17
ILE A  13
VAL A 240
VAL A 196
GLN A 169
 None
None
None
None
NAP  A 301 (-3.8A)
 1.16A 3fi0F-5danA:
undetectable		 3fi0F-5danA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dfa BETA-GALACTOSIDASE

(Geobacillus
stearothermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 VAL A 629
HIS A 625
ASP A 454
VAL A 642
VAL A 683
 None
GOL  A 702 (-3.5A)
GOL  A 702 ( 4.8A)
None
None
 1.20A 3fi0F-5dfaA:
undetectable		 3fi0F-5dfaA:
19.68
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.
5dly PLANTAZOLICIN
METHYLTRANSFERASE
BAML

(Bacillus
velezensis) 		PF13847
(Methyltransf_31) 		5 GLY A  89
ASP A  66
ILE A  67
VAL A 121
GLN A 125
 None
SAH  A 301 ( 4.7A)
None
None
None
 1.38A 3fi0F-5dlyA:
undetectable		 3fi0F-5dlyA:
21.49
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) 		9 GLY A  40
GLN A  42
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 ( 3.4A)
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)
 0.73A 3fi0F-5ekdA:
35.1		 3fi0F-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.
5h2r PHOSPHODIESTERASE

(Trypanosoma
brucei) 		no annotation 5 GLY A 822
VAL A 677
HIS A 673
ASP A 823
VAL A 827
 None
None
ZN  A1001 (-3.4A)
ZN  A1001 (-2.6A)
LLN  A1003 (-4.0A)
 1.36A 3fi0F-5h2rA:
undetectable		 3fi0F-5h2rA:
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.
5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Homo sapiens) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 GLY A1088
HIS A1397
VAL A 873
VAL A 879
GLN A 888
 None
 0.97A 3fi0F-5iy9A:
undetectable		 3fi0F-5iy9A:
11.71
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.
5mlg RENIN

(Rattus
norvegicus) 		no annotation 5 GLY A 169
VAL A  78
ILE A 124
VAL A 131
VAL A 154
 None
 1.45A 3fi0F-5mlgA:
undetectable		 3fi0F-5mlgA:
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.
5n28 METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanotorris
formicicus) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 VAL A 213
ILE A 234
VAL A 110
VAL A 263
GLN A 265
 None
None
None
MHS  A 260 ( 4.7A)
None
 1.44A 3fi0F-5n28A:
undetectable		 3fi0F-5n28A:
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
 0.46A 3fi0F-5tevA:
25.1		 3fi0F-5tevA:
33.62
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) 		5 GLY A   9
ILE A 146
VAL A 154
VAL A 156
GLN A 160
 None
 1.06A 3fi0F-5tevA:
25.1		 3fi0F-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.
5ucm PROLINE--TRNA LIGASE

(Pseudomonas
aeruginosa) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF04073
(tRNA_edit) 		5 GLN A 456
VAL A 212
ILE A 444
VAL A 446
VAL A  53
 None
 1.38A 3fi0F-5ucmA:
undetectable		 3fi0F-5ucmA:
20.88
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
GLN A  11
VAL A  42
HIS A  45
ASP A 135
ILE A 136
VAL A 144
VAL A 146
 TRP  A 402 (-3.7A)
TRP  A 402 (-4.2A)
TRP  A 402 (-4.7A)
TRP  A 402 (-3.6A)
TRP  A 402 (-3.9A)
None
None
None
 0.55A 3fi0F-5v0iA:
29.3		 3fi0F-5v0iA:
57.23
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) 		5 GLY A   9
GLN A  11
VAL A  42
HIS A  45
VAL A 144
 TRP  A 402 (-3.7A)
TRP  A 402 (-4.2A)
TRP  A 402 (-4.7A)
TRP  A 402 (-3.6A)
None
 1.08A 3fi0F-5v0iA:
29.3		 3fi0F-5v0iA:
57.23
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)
 0.49A 3fi0F-5v0iA:
29.3		 3fi0F-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.
5w7q CONSENSUS ELONGATION
FACTOR

(synthetic
construct) 		no annotation 5 GLY A 101
GLN A  98
VAL A 128
ILE A 103
VAL A 196
 None
 1.38A 3fi0F-5w7qA:
undetectable		 3fi0F-5w7qA:
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.
5xyi GUANINE
NUCLEOTIDE-BINDING
PROTEIN BETA
SUBUNIT, PUTATIVE

(Trichomonas
vaginalis) 		no annotation 5 GLY g 127
VAL g 125
HIS g 121
ILE g 138
VAL g 184
 None
 1.37A 3fi0F-5xyig:
undetectable		 3fi0F-5xyig:
22.87
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.
6bwl PAL

(Bacillus
thuringiensis) 		no annotation 5 GLY A  10
ASP A  31
ILE A  29
VAL A  17
VAL A  16
 NAD  A 401 (-3.1A)
NAD  A 401 (-2.6A)
None
None
None
 1.09A 3fi0F-6bwlA:
undetectable		 3fi0F-6bwlA:
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 7 GLY A   9
GLN A  11
VAL A  42
HIS A  45
ASP A 135
ILE A 136
VAL A 144
 TRP  A 501 (-3.5A)
TRP  A 501 (-4.2A)
TRP  A 501 ( 4.6A)
TRP  A 501 (-4.0A)
TRP  A 501 (-3.9A)
None
None
 0.70A 3fi0F-6dfuA:
31.1		 3fi0F-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.
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)
 0.61A 3fi0F-6dfuA:
31.1		 3fi0F-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.
6f2t -

(-) 		no annotation 5 HIS A 690
ASP A 689
ILE A 688
VAL A 774
GLN A 677
 None
 1.44A 3fi0F-6f2tA:
undetectable		 3fi0F-6f2tA:
undetectable