SIMILAR PATTERNS OF AMINO ACIDS FOR 3FI0_K_TRPK1001

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
 1.41A 3fi0K-1c4xA:
undetectable		 3fi0K-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)
 1.36A 3fi0K-1cf2P:
undetectable		 3fi0K-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
 0.47A 3fi0K-1d2rA:
40.7		 3fi0K-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.
1d9z EXCINUCLEASE UVRABC
COMPONENT UVRB

([Bacillus]
caldotenax) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF12344
(UvrB) 		5 GLY A  27
VAL A  32
ILE A 390
VAL A  52
VAL A  56
 None
 1.46A 3fi0K-1d9zA:
undetectable		 3fi0K-1d9zA:
20.75
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.
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
 1.20A 3fi0K-1dmsA:
undetectable		 3fi0K-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
 1.20A 3fi0K-1eu1A:
undetectable		 3fi0K-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.
1fsu N-ACETYLGALACTOSAMIN
E-4-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase) 		5 GLY A 308
GLN A 304
ILE A  67
VAL A 270
VAL A 241
 None
 1.34A 3fi0K-1fsuA:
undetectable		 3fi0K-1fsuA:
19.96
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.
1gny XYLANASE 10C

(Cellvibrio
japonicus) 		PF03426
(CBM_15) 		5 GLY A 219
GLN A 217
ILE A 232
VAL A 235
VAL A  97
 None
XYP  A1246 (-3.2A)
None
None
None
 1.40A 3fi0K-1gnyA:
undetectable		 3fi0K-1gnyA:
20.20
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.
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
 1.31A 3fi0K-1i7oA:
undetectable		 3fi0K-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.
1i7q TRPG

(Serratia
marcescens) 		PF00117
(GATase) 		5 GLY B 138
GLN B  89
HIS B 134
VAL B 148
VAL B 159
 None
GLU  B1401 (-3.1A)
None
None
None
 1.40A 3fi0K-1i7qB:
undetectable		 3fi0K-1i7qB:
20.91
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.
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)
 0.84A 3fi0K-1j1uA:
18.1		 3fi0K-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.
1k5c ENDOPOLYGALACTURONAS
E

(Chondrostereum
purpureum) 		PF00295
(Glyco_hydro_28) 		5 GLY A 154
VAL A 138
ILE A 164
VAL A 157
VAL A 124
 None
 1.42A 3fi0K-1k5cA:
undetectable		 3fi0K-1k5cA:
19.89
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.
1ljy MGP-40

(Capra hircus) 		PF00704
(Glyco_hydro_18) 		5 GLN A 293
VAL A 295
HIS A 197
ASP A 308
ILE A 237
 None
 1.32A 3fi0K-1ljyA:
undetectable		 3fi0K-1ljyA:
22.60
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.
1mzv ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Leishmania
tarentolae) 		PF00156
(Pribosyltran) 		5 GLY A 158
GLN A 160
ILE A 136
VAL A 142
VAL A 169
 None
 1.21A 3fi0K-1mzvA:
undetectable		 3fi0K-1mzvA:
21.47
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.
1odg DNA MISMATCH
ENDONUCLEASE

(Escherichia
coli) 		PF03852
(Vsr) 		5 GLY A  48
HIS A  64
ASP A  97
ILE A 101
VAL A  60
 None
 1.38A 3fi0K-1odgA:
undetectable		 3fi0K-1odgA:
19.01
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.
1q5m PROSTAGLANDIN-E2
9-REDUCTASE

(Oryctolagus
cuniculus) 		PF00248
(Aldo_ket_red) 		5 GLY A  20
ILE A  16
VAL A 266
VAL A 214
GLN A 190
 None
None
None
None
NDP  A1003 (-3.7A)
 1.05A 3fi0K-1q5mA:
undetectable		 3fi0K-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.
1q5m PROSTAGLANDIN-E2
9-REDUCTASE

(Oryctolagus
cuniculus) 		PF00248
(Aldo_ket_red) 		5 GLY A 264
GLN A 262
VAL A   8
VAL A  18
GLN A   6
 None
 1.38A 3fi0K-1q5mA:
undetectable		 3fi0K-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.
1qcd ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Leishmania
donovani) 		PF00156
(Pribosyltran) 		5 GLY A 158
GLN A 160
ILE A 136
VAL A 142
VAL A 169
 None
 1.28A 3fi0K-1qcdA:
undetectable		 3fi0K-1qcdA:
22.12
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.
1ral 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		5 GLY A  20
ILE A  16
VAL A 266
VAL A 214
GLN A 190
 None
 1.27A 3fi0K-1ralA:
undetectable		 3fi0K-1ralA:
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.
1sp8 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Zea mays) 		PF00903
(Glyoxalase) 		5 GLY A 222
GLN A 300
HIS A 301
VAL A 138
VAL A 135
 None
None
FE2  A 500 (-3.4A)
None
None
 1.39A 3fi0K-1sp8A:
undetectable		 3fi0K-1sp8A:
22.10
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.
1umi F-BOX ONLY PROTEIN 2

(Mus musculus) 		PF04300
(FBA) 		5 VAL A 288
HIS A 272
ASP A 209
ILE A 254
VAL A 243
 None
 1.16A 3fi0K-1umiA:
undetectable		 3fi0K-1umiA:
17.23
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.
1vbl PECTATE LYASE 47

(Bacillus sp.
TS-47) 		PF00544
(Pec_lyase_C) 		5 GLY A 148
GLN A 122
ASP A  68
ILE A  67
VAL A 128
 None
 0.99A 3fi0K-1vblA:
undetectable		 3fi0K-1vblA:
21.66
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.
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 3fi0K-1xfgA:
undetectable		 3fi0K-1xfgA:
24.93
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) 		5 GLY A  28
ASP A 157
ILE A 158
VAL A 166
GLN A 172
 None
 0.93A 3fi0K-2a4mA:
31.9		 3fi0K-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.
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
 0.76A 3fi0K-2cybA:
19.5		 3fi0K-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)
 1.01A 3fi0K-2cycA:
18.3		 3fi0K-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 3fi0K-2e32A:
undetectable		 3fi0K-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) 		6 GLY A   7
GLN A   9
VAL A  42
ASP A 136
ILE A 137
VAL A 147
 None
 1.11A 3fi0K-2el7A:
32.2		 3fi0K-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) 		6 GLY A   7
VAL A  42
ASP A 136
ILE A 137
VAL A 145
VAL A 147
 None
 0.81A 3fi0K-2el7A:
32.2		 3fi0K-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
HIS A  45
VAL A 147
GLN A 151
 None
 1.36A 3fi0K-2el7A:
32.2		 3fi0K-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)
 0.64A 3fi0K-2g36A:
32.6		 3fi0K-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)
 1.05A 3fi0K-2ipfA:
undetectable		 3fi0K-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.
2j23 THIOREDOXIN

(Malassezia
sympodialis) 		PF00085
(Thioredoxin) 		5 VAL A  89
ASP A  87
ILE A  86
VAL A  20
VAL A  52
 None
 1.24A 3fi0K-2j23A:
undetectable		 3fi0K-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
 1.07A 3fi0K-2j6hA:
undetectable		 3fi0K-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.
2o04 PECTATE LYASE

(Bacillus
subtilis) 		PF00544
(Pec_lyase_C) 		5 GLY A 143
GLN A 117
ASP A  63
ILE A  62
VAL A 123
 None
 1.21A 3fi0K-2o04A:
undetectable		 3fi0K-2o04A:
20.91
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.
2prf PROFILIN IA

(Acanthamoeba
sp.) 		PF00235
(Profilin) 		5 GLY A 107
GLN A 105
ILE A  87
VAL A 113
VAL A 112
 None
 1.38A 3fi0K-2prfA:
undetectable		 3fi0K-2prfA:
19.63
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.
2r8q CLASS I
PHOSPHODIESTERASE
PDEB1

(Leishmania
major) 		PF00233
(PDEase_I) 		5 GLY A 834
VAL A 689
HIS A 685
ASP A 835
VAL A 839
 None
None
ZN  A   1 (-3.4A)
ZN  A   1 (-2.6A)
None
 1.37A 3fi0K-2r8qA:
undetectable		 3fi0K-2r8qA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3fi0K-2vn1A:
undetectable		 3fi0K-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.
2xt6 2-OXOGLUTARATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00198
(2-oxoacid_dh)
PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		5 GLN A 524
ASP A 519
ILE A 549
VAL A 597
VAL A 533
 None
 1.19A 3fi0K-2xt6A:
undetectable		 3fi0K-2xt6A:
14.73
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.
2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF13086
(AAA_11)
PF13087
(AAA_12) 		5 GLY A 661
GLN A 665
ASP A 636
ILE A 635
GLN A 640
 None
ALF  A1005 (-3.0A)
MG  A1006 ( 4.0A)
None
None
 1.39A 3fi0K-2xzoA:
undetectable		 3fi0K-2xzoA:
19.20
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)
 0.64A 3fi0K-2yy5A:
34.8		 3fi0K-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) 		6 GLY A  76
ASP A 195
ILE A 196
VAL A 212
VAL A 214
GLN A 218
 TRP  A 377 (-3.6A)
TRP  A 377 (-3.6A)
None
None
None
None
 1.07A 3fi0K-3a05A:
4.7		 3fi0K-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.
3b0b CENTROMERE PROTEIN S
CENTROMERE PROTEIN X

(Gallus gallus;
Gallus gallus) 		no annotation
PF09415
(CENP-X) 		5 GLN C  56
VAL B  37
ILE B  47
VAL C  68
VAL C  71
 None
 1.23A 3fi0K-3b0bC:
undetectable		 3fi0K-3b0bC:
14.38
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.
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 3fi0K-3c8eA:
undetectable		 3fi0K-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
 1.11A 3fi0K-3edmA:
undetectable		 3fi0K-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.
3f9i 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Rickettsia
prowazekii) 		PF13561
(adh_short_C2) 		5 GLY A 179
VAL A 137
ILE A  18
VAL A 212
VAL A 176
 None
 1.29A 3fi0K-3f9iA:
undetectable		 3fi0K-3f9iA:
20.64
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.
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
 1.36A 3fi0K-3fbkA:
undetectable		 3fi0K-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
 0.98A 3fi0K-3h0gA:
undetectable		 3fi0K-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
 1.06A 3fi0K-3hm7A:
undetectable		 3fi0K-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.
3ln3 DIHYDRODIOL
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
NAD  A 327 (-3.6A)
 1.15A 3fi0K-3ln3A:
undetectable		 3fi0K-3ln3A:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 GLY A 124
VAL A 241
ASP A 128
ILE A  94
VAL A 133
 None
 1.37A 3fi0K-3loqA:
3.3		 3fi0K-3loqA:
20.81
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
 0.63A 3fi0K-3m5wA:
32.3		 3fi0K-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.
3moi PROBABLE
DEHYDROGENASE

(Bordetella
bronchiseptica) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLY A 365
VAL A 120
ASP A 184
ILE A 183
VAL A 371
 None
 1.45A 3fi0K-3moiA:
undetectable		 3fi0K-3moiA:
23.50
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) 		8 GLY A  21
GLN A  23
VAL A  54
HIS A  57
ASP A 147
ILE A 148
VAL A 156
GLN A 162
 GOL  A1001 (-3.6A)
None
GOL  A1001 (-4.6A)
GOL  A1001 ( 4.7A)
GOL  A1001 (-3.9A)
None
None
None
 0.49A 3fi0K-3n9iA:
37.7		 3fi0K-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.
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 3fi0K-3pa7A:
undetectable		 3fi0K-3pa7A:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ppc 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Candida
albicans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 GLY A  54
GLN A  51
ASP A  56
VAL A 370
GLN A  50
 None
 1.30A 3fi0K-3ppcA:
undetectable		 3fi0K-3ppcA:
18.07
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
 0.55A 3fi0K-3prhA:
39.5		 3fi0K-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
 1.02A 3fi0K-3prhA:
39.5		 3fi0K-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
 1.32A 3fi0K-3qi6A:
undetectable		 3fi0K-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.
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
 1.16A 3fi0K-3r68A:
undetectable		 3fi0K-3r68A:
16.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3suc PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		5 GLY A 469
GLN A 437
ILE A 489
VAL A 496
VAL A 472
 None
 1.10A 3fi0K-3sucA:
undetectable		 3fi0K-3sucA:
17.87
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 GLN A  11
VAL A  42
ASP A 135
ILE A 136
VAL A 146
 TRP  A 401 (-3.2A)
TRP  A 401 (-4.7A)
TRP  A 401 (-4.0A)
None
None
 0.92A 3fi0K-3sz3A:
37.2		 3fi0K-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
 0.49A 3fi0K-3sz3A:
37.2		 3fi0K-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)
 1.08A 3fi0K-3sz3A:
37.2		 3fi0K-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.
3sze SERINE PROTEASE ESPP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 GLY A 431
VAL A 167
ILE A 446
VAL A 455
VAL A 435
 None
 1.02A 3fi0K-3szeA:
undetectable		 3fi0K-3szeA:
15.01
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.
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 3fi0K-3u0fA:
undetectable		 3fi0K-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
 1.15A 3fi0K-3vexA:
undetectable		 3fi0K-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
 1.26A 3fi0K-3wvlO:
undetectable		 3fi0K-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
 1.31A 3fi0K-4ay1A:
undetectable		 3fi0K-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
 1.17A 3fi0K-4b5mA:
undetectable		 3fi0K-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.
4d1i BETA-GALACTOSIDASE,
PUTATIVE, BGL35A

(Cellvibrio
japonicus) 		PF02449
(Glyco_hydro_42) 		5 GLY A 493
ILE A 496
VAL A 513
VAL A 472
GLN A 461
 None
 1.41A 3fi0K-4d1iA:
undetectable		 3fi0K-4d1iA:
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.
4ew6 D-GALACTOSE-1-DEHYDR
OGENASE PROTEIN

(Rhizobium etli) 		PF01408
(GFO_IDH_MocA) 		5 GLY A 165
GLN A 160
ASP A 168
ILE A 171
VAL A 291
 None
 1.32A 3fi0K-4ew6A:
undetectable		 3fi0K-4ew6A:
22.71
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.
4h3s GLUTAMINE-TRNA
LIGASE

(Saccharomyces
cerevisiae) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C)
PF04557
(tRNA_synt_1c_R2) 		5 GLN A 637
ASP A 620
ILE A 616
VAL A 579
VAL A 666
 None
 1.20A 3fi0K-4h3sA:
6.3		 3fi0K-4h3sA:
16.44
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.
4jip GTN REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		5 GLY A  62
GLN A  60
ASP A 159
ILE A 156
VAL A 117
 None
 1.20A 3fi0K-4jipA:
undetectable		 3fi0K-4jipA:
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.
4kfv GOLGI
REASSEMBLY-STACKING
PROTEIN 1

(Rattus
norvegicus) 		PF04495
(GRASP55_65) 		5 GLN A  28
VAL A  21
ILE A  39
VAL A  70
VAL A  81
 None
 1.39A 3fi0K-4kfvA:
undetectable		 3fi0K-4kfvA:
20.18
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.
4l3a INTERNALIN K

(Listeria
monocytogenes) 		no annotation 5 VAL A 377
ASP A 385
ILE A 386
VAL A 431
VAL A 414
 None
 1.23A 3fi0K-4l3aA:
undetectable		 3fi0K-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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 GLY A 382
VAL A 112
ILE A 397
VAL A 406
VAL A 386
 None
 1.09A 3fi0K-4om9A:
undetectable		 3fi0K-4om9A:
15.75
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.
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 3fi0K-4qiwC:
undetectable		 3fi0K-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
 1.17A 3fi0K-4qiwC:
undetectable		 3fi0K-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 3fi0K-4r72A:
undetectable		 3fi0K-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.
4rye D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Mycobacterium
tuberculosis) 		PF00768
(Peptidase_S11) 		5 GLN A  61
HIS A 178
ASP A 179
ILE A 183
VAL A 242
 None
 1.35A 3fi0K-4ryeA:
undetectable		 3fi0K-4ryeA:
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.
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
 0.91A 3fi0K-4xoxA:
undetectable		 3fi0K-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.
4xpm UNCHARACTERIZED
PROTEIN YCR075W-A

(Saccharomyces
cerevisiae) 		PF11503
(DUF3215) 		5 GLY B  28
GLN B  30
ASP B  34
ILE B  35
VAL B  21
 None
 1.39A 3fi0K-4xpmB:
undetectable		 3fi0K-4xpmB:
12.64
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.
4yv7 PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		5 GLY A 236
GLN A 239
VAL A 226
VAL A 251
GLN A 269
 None
 1.45A 3fi0K-4yv7A:
undetectable		 3fi0K-4yv7A:
22.74
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.
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
 1.47A 3fi0K-4ztxA:
undetectable		 3fi0K-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.
5by6 THYMIDYLATE SYNTHASE

(Trichinella
spiralis) 		PF00303
(Thymidylat_synt) 		5 GLY A  37
ASP A  35
ILE A  34
VAL A 251
GLN A  29
 None
 1.41A 3fi0K-5by6A:
undetectable		 3fi0K-5by6A:
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.
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)
 1.14A 3fi0K-5danA:
undetectable		 3fi0K-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
 1.26A 3fi0K-5dfaA:
undetectable		 3fi0K-5dfaA:
19.68
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)
 0.72A 3fi0K-5ekdA:
14.0		 3fi0K-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.
5ey5 LBCA-B

(synthetic
construct) 		PF00291
(PALP) 		5 GLY B 278
GLN B  11
VAL B  13
ILE B 167
VAL B 189
 None
 1.17A 3fi0K-5ey5B:
undetectable		 3fi0K-5ey5B:
23.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3fi0K-5h2rA:
undetectable		 3fi0K-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
 0.95A 3fi0K-5iy9A:
undetectable		 3fi0K-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.
5n8o DNA HELICASE I

(Escherichia
coli) 		PF07057
(TraI)
PF08751
(TrwC)
PF13604
(AAA_30) 		5 GLY A1098
ASP A1070
VAL A 990
VAL A 989
GLN A1115
 None
 1.42A 3fi0K-5n8oA:
undetectable		 3fi0K-5n8oA:
11.85
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
 0.38A 3fi0K-5tevA:
32.4		 3fi0K-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
 1.05A 3fi0K-5tevA:
32.4		 3fi0K-5tevA:
33.62
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) 		9 GLY A   9
GLN A  11
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 (-4.2A)
TRP  A 402 (-4.7A)
TRP  A 402 (-3.6A)
TRP  A 402 (-3.9A)
None
None
None
TRP  A 402 (-3.1A)
 0.50A 3fi0K-5v0iA:
38.7		 3fi0K-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.
6dfu TRYPTOPHAN--TRNA
LIGASE

(Haemophilus
influenzae) 		no annotation 9 GLY A   9
GLN A  11
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 (-4.2A)
TRP  A 501 ( 4.6A)
TRP  A 501 (-4.0A)
TRP  A 501 (-3.9A)
None
None
None
TRP  A 501 (-3.3A)
 0.88A 3fi0K-6dfuA:
38.7		 3fi0K-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.
6emk SERINE/THREONINE-PRO
TEIN KINASE TOR2

(Saccharomyces
cerevisiae) 		no annotation 5 GLN A2106
ASP A2296
ILE A2295
VAL A2179
VAL A2124
 None
 1.16A 3fi0K-6emkA:
undetectable		 3fi0K-6emkA:
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 ASP A 689
ILE A 688
VAL A 769
VAL A 774
GLN A 677
 None
 1.26A 3fi0K-6f2tA:
undetectable		 3fi0K-6f2tA:
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.
6fno -

(-) 		no annotation 5 VAL A 114
HIS A  85
ASP A  96
ILE A  97
VAL A 142
 None
ZN  A 201 (-3.2A)
ZN  A 201 (-2.1A)
None
None
 1.11A 3fi0K-6fnoA:
undetectable		 3fi0K-6fnoA:
undetectable