SIMILAR PATTERNS OF AMINO ACIDS FOR 1NT2_A_SAMA301

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.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 439
ALA A 451
ALA A 437
ASP A 440
ILE A 441
 FAD  A 600 (-3.3A)
FAD  A 600 ( 3.8A)
None
FAD  A 600 (-2.7A)
None
 1.08A 1nt2A-1bhyA:
3.0		 1nt2A-1bhyA:
17.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dq3 ENDONUCLEASE

(Pyrococcus
furiosus) 		PF09061
(Stirrup)
PF09062
(Endonuc_subdom)
PF14528
(LAGLIDADG_3)
PF14890
(Intein_splicing) 		5 GLY A 150
ALA A 147
TYR A 216
ASP A 149
ILE A 171
 None
 1.08A 1nt2A-1dq3A:
0.0		 1nt2A-1dq3A:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e5m BETA KETOACYL ACYL
CARRIER PROTEIN
SYNTHASE II

(Synechocystis
sp. PCC 6803) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 170
THR A 165
SER A 239
ALA A 354
ILE A 174
 None
 1.00A 1nt2A-1e5mA:
0.3		 1nt2A-1e5mA:
19.08
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.
1ebd DIHYDROLIPOAMIDE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 313
ALA A 325
SER A 326
ASP A 314
ILE A 315
 FAD  A 462 (-3.4A)
FAD  A 462 ( 3.7A)
None
FAD  A 462 (-2.8A)
None
 1.16A 1nt2A-1ebdA:
1.7		 1nt2A-1ebdA:
16.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fbn MJ FIBRILLARIN
HOMOLOGUE

(Methanocaldococcus
jannaschii) 		PF01269
(Fibrillarin) 		5 LYS A  58
GLY A  82
ALA A  83
ALA A 131
ASP A 150
 None
 0.80A 1nt2A-1fbnA:
30.7		 1nt2A-1fbnA:
47.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fbn MJ FIBRILLARIN
HOMOLOGUE

(Methanocaldococcus
jannaschii) 		PF01269
(Fibrillarin) 		5 LYS A  58
TYR A  80
ALA A 131
ASP A 150
GLN A 153
 None
 0.65A 1nt2A-1fbnA:
30.7		 1nt2A-1fbnA:
47.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fbn MJ FIBRILLARIN
HOMOLOGUE

(Methanocaldococcus
jannaschii) 		PF01269
(Fibrillarin) 		5 LYS A  58
TYR A  80
GLY A  82
ALA A 131
ASP A 150
 None
 0.55A 1nt2A-1fbnA:
30.7		 1nt2A-1fbnA:
47.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fbn MJ FIBRILLARIN
HOMOLOGUE

(Methanocaldococcus
jannaschii) 		PF01269
(Fibrillarin) 		5 TYR A  80
GLY A  82
THR A  88
ALA A 131
ASP A 150
 None
 0.69A 1nt2A-1fbnA:
30.7		 1nt2A-1fbnA:
47.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fbn MJ FIBRILLARIN
HOMOLOGUE

(Methanocaldococcus
jannaschii) 		PF01269
(Fibrillarin) 		5 TYR A  80
THR A  88
ALA A 131
ASP A 150
GLN A 153
 None
 0.62A 1nt2A-1fbnA:
30.7		 1nt2A-1fbnA:
47.19
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.
1fuj PR3

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A 140
SER A  32
SER A 195
ALA A 138
ILE A  16
 None
 1.20A 1nt2A-1fujA:
undetectable		 1nt2A-1fujA:
21.05
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.
1h81 POLYAMINE OXIDASE

(Zea mays) 		PF01593
(Amino_oxidase) 		5 ALA A 259
SER A 258
ALA A 458
ASP A  30
ILE A  28
 None
 1.21A 1nt2A-1h81A:
2.1		 1nt2A-1h81A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hjo PROTEIN (HEAT-SHOCK
70KD PROTEIN)

(Homo sapiens) 		PF00012
(HSP70) 		5 GLY A  19
ALA A 370
SER A  16
ALA A 131
ILE A   7
 None
 1.15A 1nt2A-1hjoA:
0.6		 1nt2A-1hjoA:
21.01
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.
1i8q HYALURONATE LYASE

(Streptococcus
agalactiae) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 GLY A 955
ALA A 954
ALA A 749
ILE A 936
GLN A 923
 None
 1.21A 1nt2A-1i8qA:
0.0		 1nt2A-1i8qA:
14.95
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.
1idu VANADIUM
CHLOROPEROXIDASE

(Curvularia
inaequalis) 		PF01569
(PAP2) 		5 GLY A 409
ALA A 405
SER A 402
ALA A 560
ILE A 557
 None
None
VO4  A1579 (-2.9A)
None
None
 1.21A 1nt2A-1iduA:
undetectable		 1nt2A-1iduA:
14.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mab PROTEIN (F1-ATPASE
BETA CHAIN)

(Rattus
norvegicus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 TYR B 219
GLY B 185
ALA B 233
ILE B 255
GLN B 308
 None
 1.16A 1nt2A-1mabB:
undetectable		 1nt2A-1mabB:
16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mt0 HEMOLYSIN SECRETION
ATP-BINDING PROTEIN

(Escherichia
coli) 		PF00005
(ABC_tran) 		5 GLY A 499
ALA A 670
THR A 666
ILE A 674
GLN A 684
 None
 1.13A 1nt2A-1mt0A:
undetectable		 1nt2A-1mt0A:
23.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		6 GLY A  65
ALA A  66
THR A  71
TYR A  89
ILE A 134
GLN A 136
 SAM  A 301 ( 3.8A)
None
SAM  A 301 (-4.1A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.4A)
 1.47A 1nt2A-1nt2A:
42.3		 1nt2A-1nt2A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		12 LYS A  42
TYR A  63
GLY A  65
ALA A  67
SER A  68
THR A  71
TYR A  89
SER A  90
ALA A 114
ASP A 133
ILE A 134
GLN A 136
 SAM  A 301 (-3.0A)
None
SAM  A 301 ( 3.8A)
SAM  A 301 (-3.1A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-4.1A)
SAM  A 301 (-3.5A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.4A)
 0.00A 1nt2A-1nt2A:
42.3		 1nt2A-1nt2A:
100.00
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.
1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Pseudomonas sp.
CF600) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		5 SER A  20
SER A 226
ALA A  38
ASP A  31
ILE A 267
 None
 1.16A 1nt2A-1nvmA:
undetectable		 1nt2A-1nvmA:
22.06
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.
1ryn PROTEIN CRS2

(Zea mays) 		PF01195
(Pept_tRNA_hydro) 		5 GLY A 136
SER A 139
ALA A 165
ASP A  95
ILE A 135
 GLY  A 136 ( 0.0A)
SER  A 139 ( 0.0A)
ALA  A 165 ( 0.0A)
ASP  A  95 ( 0.6A)
ILE  A 135 ( 0.7A)
 1.12A 1nt2A-1rynA:
undetectable		 1nt2A-1rynA:
24.00
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.
1z0f RAB14, MEMBER RAS
ONCOGENE FAMILY

(Homo sapiens) 		PF00071
(Ras) 		5 GLY A 123
ALA A 153
SER A 154
TYR A 136
ALA A 139
 None
None
GDP  A 200 (-3.7A)
None
None
 1.19A 1nt2A-1z0fA:
3.7		 1nt2A-1z0fA:
21.89
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.
1z1w TRICORN PROTEASE
INTERACTING FACTOR
F3

(Thermoplasma
acidophilum) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 TYR A 164
GLY A 166
THR A 239
TYR A 131
ILE A  96
 None
 1.02A 1nt2A-1z1wA:
undetectable		 1nt2A-1z1wA:
14.74
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.
2a2g PROTEIN
(ALPHA-2U-GLOBULIN)

(Rattus
norvegicus) 		PF00061
(Lipocalin) 		5 TYR A  68
GLY A  53
TYR A  80
ASP A  46
ILE A  45
 None
 1.18A 1nt2A-2a2gA:
undetectable		 1nt2A-2a2gA:
24.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fep CATABOLITE CONTROL
PROTEIN A

(Bacillus
subtilis) 		PF13377
(Peripla_BP_3) 		5 GLY A 299
SER A  77
ALA A 146
ASP A 297
ILE A 298
 None
 1.10A 1nt2A-2fepA:
3.4		 1nt2A-2fepA:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gpj SIDEROPHORE-INTERACT
ING PROTEIN

(Shewanella
putrefaciens) 		PF04954
(SIP)
PF08021
(FAD_binding_9) 		6 GLY A 118
ALA A 196
SER A 223
ALA A 141
ASP A 119
ILE A 143
 None
None
None
None
ACY  A 509 (-3.7A)
None
 1.29A 1nt2A-2gpjA:
6.2		 1nt2A-2gpjA:
24.25
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.
2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 GLY A  22
ALA A  24
ALA A  41
ASP A  50
ILE A  49
 NAP  A   1 (-3.3A)
NAP  A   1 (-3.3A)
None
NAP  A   1 (-3.7A)
None
 0.93A 1nt2A-2ipjA:
undetectable		 1nt2A-2ipjA:
21.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN

(Homo sapiens) 		PF01269
(Fibrillarin) 		5 GLY A 168
ALA A 170
SER A 171
ALA A 218
GLN A 240
 MTA  A4001 (-3.3A)
MTA  A4001 (-3.6A)
None
MTA  A4001 (-3.4A)
MTA  A4001 (-4.0A)
 1.07A 1nt2A-2ipxA:
27.5		 1nt2A-2ipxA:
43.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN

(Homo sapiens) 		PF01269
(Fibrillarin) 		5 LYS A 144
TYR A 166
THR A 174
SER A 194
GLN A 240
 None
None
None
None
MTA  A4001 (-4.0A)
 1.13A 1nt2A-2ipxA:
27.5		 1nt2A-2ipxA:
43.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN

(Homo sapiens) 		PF01269
(Fibrillarin) 		8 TYR A 166
GLY A 168
ALA A 170
THR A 174
SER A 194
ALA A 218
ASP A 237
GLN A 240
 None
MTA  A4001 (-3.3A)
MTA  A4001 (-3.6A)
None
None
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
MTA  A4001 (-4.0A)
 0.85A 1nt2A-2ipxA:
27.5		 1nt2A-2ipxA:
43.78
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.
2ix4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Arabidopsis
thaliana) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 212
THR A 207
SER A 282
ALA A 399
ILE A 216
 None
 0.99A 1nt2A-2ix4A:
undetectable		 1nt2A-2ix4A:
22.42
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.
2nv0 GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Bacillus
subtilis) 		PF01174
(SNO) 		5 GLY A 166
ALA A 158
SER A 150
ALA A  86
GLN A 161
 None
 1.17A 1nt2A-2nv0A:
undetectable		 1nt2A-2nv0A:
24.89
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.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		5 TYR A 151
GLY A 149
TYR A 141
ALA A  51
ASP A 148
 None
 1.20A 1nt2A-2p3xA:
undetectable		 1nt2A-2p3xA:
19.77
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.
2q0l THIOREDOXIN
REDUCTASE

(Helicobacter
pylori) 		PF07992
(Pyr_redox_2) 		5 GLY A 280
ALA A 293
ALA A 278
ASP A 281
ILE A 282
 FAD  A 400 (-3.3A)
FAD  A 400 (-3.6A)
None
FAD  A 400 (-2.7A)
None
 1.18A 1nt2A-2q0lA:
undetectable		 1nt2A-2q0lA:
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.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 GLY A 185
SER A 199
ALA A 207
ASP A 215
ILE A 214
 None
 1.01A 1nt2A-2qt3A:
undetectable		 1nt2A-2qt3A:
20.82
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.
2r3b YJEF-RELATED PROTEIN

(Enterococcus
faecalis) 		PF01256
(Carb_kinase) 		5 GLY A 224
ALA A 227
THR A  56
ALA A 239
ILE A 222
 None
 1.10A 1nt2A-2r3bA:
4.4		 1nt2A-2r3bA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vdc GLUTAMATE SYNTHASE
[NADPH] SMALL CHAIN

(Azospirillum
brasilense) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 GLY G 441
ALA G 453
ALA G 439
ASP G 442
ILE G 443
 FAD  G 484 (-3.4A)
FAD  G 484 (-3.6A)
None
FAD  G 484 (-3.1A)
None
 1.16A 1nt2A-2vdcG:
undetectable		 1nt2A-2vdcG:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wg3 DESERT HEDGEHOG
PROTEIN N-PRODUCT

(Homo sapiens) 		PF01085
(HH_signal) 		5 GLY A 128
ALA A 146
SER A 185
ALA A  95
ASP A 148
 None
None
None
None
ZN  A1199 (-2.0A)
 1.20A 1nt2A-2wg3A:
undetectable		 1nt2A-2wg3A:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yfh GLUTAMATE
DEHYDROGENASE,
NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE,
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli;
[Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A 238
ALA A 260
SER A 235
ASP A 262
GLN A 308
 None
 1.05A 1nt2A-2yfhA:
undetectable		 1nt2A-2yfhA:
18.35
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.
2z1a 5'-NUCLEOTIDASE

(Thermus
thermophilus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 TYR A 513
GLY A 362
ASP A 361
ILE A 359
GLN A 377
 None
 1.07A 1nt2A-2z1aA:
undetectable		 1nt2A-2z1aA:
18.66
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.
3a31 PROBABLE
THREONYL-TRNA
SYNTHETASE 1

(Aeropyrum
pernix) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 GLY A 258
ALA A 255
SER A 207
ALA A 228
ASP A 284
 None
 1.04A 1nt2A-3a31A:
undetectable		 1nt2A-3a31A:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aqu AT4G19810

(Arabidopsis
thaliana) 		PF00704
(Glyco_hydro_18) 		5 TYR A 312
SER A 210
SER A 159
ALA A 228
ILE A 219
 None
 1.21A 1nt2A-3aquA:
undetectable		 1nt2A-3aquA:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aty PROSTAGLANDIN F2A
SYNTHASE

(Trypanosoma
cruzi) 		PF00724
(Oxidored_FMN) 		5 GLY A 191
SER A 243
ALA A 180
ASP A 190
ILE A 184
 None
 1.15A 1nt2A-3atyA:
undetectable		 1nt2A-3atyA:
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.
3axs PROBABLE
N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE
TRM1

(Aquifex
aeolicus) 		PF02005
(TRM) 		5 ALA A  62
SER A  63
SER A  86
ALA A 114
ASP A 132
 SFG  A 501 (-3.4A)
SFG  A 501 ( 4.4A)
SFG  A 501 ( 4.7A)
SFG  A 501 (-3.6A)
SFG  A 501 (-3.7A)
 0.75A 1nt2A-3axsA:
13.7		 1nt2A-3axsA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dh9 THIOREDOXIN
REDUCTASE 1

(Drosophila
melanogaster) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 325
ALA A 338
ALA A 323
ASP A 326
ILE A 327
 FAD  A 500 (-3.4A)
FAD  A 500 ( 3.8A)
None
FAD  A 500 (-3.1A)
None
 1.16A 1nt2A-3dh9A:
3.1		 1nt2A-3dh9A:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e60 3-OXOACYL-[ACYL-CARR
IER-PROTEIN ]
SYNTHASE II

(Bartonella
henselae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 173
SER A 113
THR A 168
ALA A 357
ILE A 177
 None
 1.11A 1nt2A-3e60A:
undetectable		 1nt2A-3e60A:
17.54
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.
3f4f DEOXYURIDINE
5'-TRIPHOSPHATE
NUCLEOTIDOHYDROLASE

(Saccharomyces
cerevisiae) 		PF00692
(dUTPase) 		5 TYR A  31
GLY A  30
ALA A  28
ALA A  66
ILE A 116
 None
 1.17A 1nt2A-3f4fA:
undetectable		 1nt2A-3f4fA:
20.28
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.
3j3i CAPSID PROTEIN

(Penicillium
chrysogenum
virus) 		no annotation 5 GLY A 823
ALA A 825
SER A  89
ALA A 832
ILE A 851
 None
 1.19A 1nt2A-3j3iA:
undetectable		 1nt2A-3j3iA:
11.90
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.
3kzu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE II

(Brucella
melitensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 173
SER A 113
THR A 168
ALA A 357
ILE A 177
 None
 1.12A 1nt2A-3kzuA:
undetectable		 1nt2A-3kzuA:
18.94
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.
3lm6 STAGE V SPORULATION
PROTEIN AD

(Bacillus
subtilis) 		PF07451
(SpoVAD) 		5 ALA A 283
SER A 282
THR A 112
SER A 288
ALA A  66
 None
 0.96A 1nt2A-3lm6A:
undetectable		 1nt2A-3lm6A:
20.90
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.
3lm6 STAGE V SPORULATION
PROTEIN AD

(Bacillus
subtilis) 		PF07451
(SpoVAD) 		5 GLY A 169
ALA A 283
SER A 282
SER A 288
ALA A  66
 None
 1.15A 1nt2A-3lm6A:
undetectable		 1nt2A-3lm6A:
20.90
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.
3lod PUTATIVE ACYL-COA
N-ACYLTRANSFERASE

(Klebsiella
pneumoniae) 		PF00583
(Acetyltransf_1) 		5 GLY A  61
ALA A  59
TYR A   2
SER A  54
ILE A  80
 None
 0.98A 1nt2A-3lodA:
undetectable		 1nt2A-3lodA:
17.79
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.
3n1q DESERT HEDGEHOG
PROTEIN

(Homo sapiens) 		no annotation 5 GLY B 128
ALA B 146
SER B 185
ALA B  95
ASP B 148
 None
None
None
CA  B 191 ( 4.4A)
ZN  B 190 (-2.5A)
 1.20A 1nt2A-3n1qB:
undetectable		 1nt2A-3n1qB:
23.62
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.
3qe7 URACIL PERMEASE

(Escherichia
coli) 		PF00860
(Xan_ur_permease) 		5 GLY A 126
ALA A 123
SER A 370
ALA A 130
ILE A 350
 None
None
None
BNG  A 431 ( 4.2A)
BNG  A 431 (-4.8A)
 1.07A 1nt2A-3qe7A:
undetectable		 1nt2A-3qe7A:
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.
3r9j SEPTUM
SITE-DETERMINING
PROTEIN MIND

(Escherichia
coli) 		PF01656
(CbiA) 		5 GLY A 236
ALA A 233
ALA A 240
ILE A 228
GLN A  29
 None
 1.18A 1nt2A-3r9jA:
2.7		 1nt2A-3r9jA:
22.06
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.
3som METHYLMALONIC
ACIDURIA AND
HOMOCYSTINURIA TYPE
C PROTEIN

(Homo sapiens) 		PF16690
(MMACHC) 		5 GLY A 162
ALA A 103
ALA A 120
ILE A 160
GLN A 118
 None
None
None
B12  A 301 (-4.2A)
B12  A 301 (-3.2A)
 1.08A 1nt2A-3somA:
undetectable		 1nt2A-3somA:
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.
3tdf DIHYDRODIPICOLINATE
SYNTHASE

(Acinetobacter
baumannii) 		PF00701
(DHDPS) 		5 TYR A 184
GLY A 201
SER A  38
SER A 215
ILE A 222
 None
 1.20A 1nt2A-3tdfA:
undetectable		 1nt2A-3tdfA:
21.77
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.
3tdf DIHYDRODIPICOLINATE
SYNTHASE

(Acinetobacter
baumannii) 		PF00701
(DHDPS) 		5 TYR A 184
GLY A 201
SER A 215
ALA A 191
ASP A 200
 None
 1.02A 1nt2A-3tdfA:
undetectable		 1nt2A-3tdfA:
21.77
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.
3u02 PUTATIVE
TRANSCRIPTION-ASSOCI
ATED PROTEIN TFIIS

(Pyrococcus
furiosus) 		PF08489
(DUF1743) 		5 GLY A 146
ALA A 149
ALA A 123
ASP A   8
ILE A 144
 None
 1.16A 1nt2A-3u02A:
undetectable		 1nt2A-3u02A:
25.38
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.
3v8x TRANSFERRIN-BINDING
PROTEIN 1

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 TYR A 708
GLY A 707
ALA A 728
ASP A 777
ILE A 778
 None
 1.15A 1nt2A-3v8xA:
undetectable		 1nt2A-3v8xA:
13.48
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.
3w9s OMPR FAMILY RESPONSE
REGULATOR IN
TWO-COMPONENT
REGULATORY SYSTEM
WITH BASS

(Klebsiella
pneumoniae) 		PF00072
(Response_reg) 		5 TYR A  98
GLY A  90
THR A  79
SER A  64
ASP A  86
 None
None
BEF  A 201 (-3.7A)
None
None
 1.11A 1nt2A-3w9sA:
3.6		 1nt2A-3w9sA:
20.95
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.
4a5g ANIONIC PEROXIDASE

(Raphanus
sativus) 		PF00141
(peroxidase) 		5 ALA A 106
SER A 107
SER A  17
ALA A  88
ILE A  23
 None
 1.16A 1nt2A-4a5gA:
undetectable		 1nt2A-4a5gA:
18.12
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.
4bht NADP-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A 239
ALA A 261
SER A 236
ASP A 263
GLN A 309
 None
 1.11A 1nt2A-4bhtA:
undetectable		 1nt2A-4bhtA:
18.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		5 GLY E  81
ALA E  83
SER E  84
THR E  87
ALA E 131
 None
C  X   5 ( 2.4A)
C  X   6 ( 3.3A)
C  X   6 ( 2.6A)
None
 1.05A 1nt2A-4by9E:
28.2		 1nt2A-4by9E:
44.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		6 LYS E  57
TYR E  79
GLY E  81
SER E 107
ALA E 131
ASP E 150
 C  X   5 ( 2.7A)
None
None
G  A  22 ( 2.7A)
None
C  X   5 ( 3.2A)
 0.87A 1nt2A-4by9E:
28.2		 1nt2A-4by9E:
44.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		5 TYR E  79
GLY E  81
ALA E  83
THR E  87
ALA E 131
 None
None
C  X   5 ( 2.4A)
C  X   6 ( 2.6A)
None
 0.78A 1nt2A-4by9E:
28.2		 1nt2A-4by9E:
44.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		5 TYR E  79
GLY E  81
ALA E  83
THR E  87
GLN E 153
 None
None
C  X   5 ( 2.4A)
C  X   6 ( 2.6A)
G  A  24 ( 3.0A)
 1.13A 1nt2A-4by9E:
28.2		 1nt2A-4by9E:
44.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		5 TYR E  79
GLY E  81
THR E  87
ALA E 131
ASP E 150
 None
None
C  X   6 ( 2.6A)
None
C  X   5 ( 3.2A)
 0.82A 1nt2A-4by9E:
28.2		 1nt2A-4by9E:
44.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Pyrococcus
furiosus) 		PF01269
(Fibrillarin) 		5 TYR E  79
GLY E  81
THR E  87
ASP E 150
GLN E 153
 None
None
C  X   6 ( 2.6A)
C  X   5 ( 3.2A)
G  A  24 ( 3.0A)
 1.17A 1nt2A-4by9E:
28.2		 1nt2A-4by9E:
44.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4df3 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Aeropyrum
pernix) 		PF01269
(Fibrillarin) 		7 LYS A  61
TYR A  83
GLY A  85
ALA A  87
SER A  88
ALA A 135
ASP A 154
 SAM  A 301 ( 3.9A)
SAM  A 301 (-4.5A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.4A)
None
SAM  A 301 (-3.5A)
SAM  A 301 (-3.6A)
 0.67A 1nt2A-4df3A:
28.1		 1nt2A-4df3A:
44.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4df3 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Aeropyrum
pernix) 		PF01269
(Fibrillarin) 		8 TYR A  83
GLY A  85
ALA A  87
SER A  88
THR A  91
ALA A 135
ASP A 154
GLN A 157
 SAM  A 301 (-4.5A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.4A)
None
SAM  A 301 (-3.3A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.8A)
 0.72A 1nt2A-4df3A:
28.1		 1nt2A-4df3A:
44.21
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.
4f3v ESX-1 SECRETION
SYSTEM PROTEIN ECCA1

(Mycobacterium
tuberculosis) 		no annotation 5 GLY A  43
ALA A  40
THR A  28
ALA A  81
ILE A  45
 None
 1.05A 1nt2A-4f3vA:
undetectable		 1nt2A-4f3vA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f53 SUSD HOMOLOG

(Bacteroides
ovatus) 		PF12741
(SusD-like) 		5 TYR A 262
GLY A 260
ALA A 357
SER A 358
ALA A 212
 None
 1.17A 1nt2A-4f53A:
undetectable		 1nt2A-4f53A:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j8f HEAT SHOCK 70 KDA
PROTEIN 1A/1B,
HSC70-INTERACTING
PROTEIN

(Homo sapiens;
Rattus
norvegicus) 		PF00012
(HSP70) 		5 GLY A  19
ALA A 370
SER A  16
ALA A 131
ILE A   7
 None
 1.12A 1nt2A-4j8fA:
undetectable		 1nt2A-4j8fA:
16.96
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.
4jb6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 GLY A 167
SER A 107
THR A 162
SER A 236
ALA A 351
ILE A 171
 None
 1.24A 1nt2A-4jb6A:
undetectable		 1nt2A-4jb6A:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Paenibacillus
macerans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 TYR A 407
GLY A 520
THR A  14
ASP A 519
ILE A 518
 None
 1.22A 1nt2A-4jclA:
undetectable		 1nt2A-4jclA:
13.69
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.
4l4q S-ADENOSYLMETHIONINE
SYNTHASE

(Thermococcus
kodakarensis) 		PF01941
(AdoMet_Synthase) 		5 GLY A  40
ALA A  42
ALA A 122
ASP A  39
ILE A  37
 None
 1.16A 1nt2A-4l4qA:
undetectable		 1nt2A-4l4qA:
19.41
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.
4nml RIBULOSE 5-PHOSPHATE
ISOMERASE

(Toxoplasma
gondii) 		PF06026
(Rib_5-P_isom_A) 		5 ALA A  86
THR A  58
TYR A  19
ALA A  15
ASP A  88
 None
 1.14A 1nt2A-4nmlA:
3.0		 1nt2A-4nmlA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nte DEPH

(Chromobacterium
violaceum) 		PF07992
(Pyr_redox_2) 		5 GLY A 267
ALA A 279
ALA A 265
ASP A 268
ILE A 269
 FAD  A 301 ( 3.3A)
NA  A 302 (-3.5A)
None
FAD  A 301 (-2.9A)
None
 1.15A 1nt2A-4nteA:
4.6		 1nt2A-4nteA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o9d RIK1-ASSOCIATED
FACTOR 1

(Schizosaccharomyces
pombe) 		no annotation 5 GLY B 565
ALA B 591
SER B 590
THR B 532
ILE B 549
 None
 1.20A 1nt2A-4o9dB:
undetectable		 1nt2A-4o9dB:
20.19
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.
4pj3 INTRON-BINDING
PROTEIN AQUARIUS

(Homo sapiens) 		PF13086
(AAA_11)
PF13087
(AAA_12)
PF16399
(Aquarius_N) 		5 GLY A 817
ALA A 700
SER A 699
TYR A 702
SER A 703
 None
 1.11A 1nt2A-4pj3A:
undetectable		 1nt2A-4pj3A:
8.41
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.
4pmu ENDO-1,4-BETA-XYLANA
SE A

(Xanthomonas
citri) 		PF00331
(Glyco_hydro_10) 		5 TYR A 196
GLY A 227
ASP A 226
ILE A 225
GLN A 219
 None
 1.14A 1nt2A-4pmuA:
undetectable		 1nt2A-4pmuA:
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.
4s05 DNA-BINDING
TRANSCRIPTIONAL
REGULATOR BASR

(Klebsiella
pneumoniae) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		5 TYR A  98
GLY A  90
THR A  79
SER A  64
ASP A  86
 None
None
BEF  A 301 (-3.7A)
None
None
 0.97A 1nt2A-4s05A:
undetectable		 1nt2A-4s05A:
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.
4s13 FERULIC ACID
DECARBOXYLASE 1

(Saccharomyces
cerevisiae) 		PF01977
(UbiD) 		5 ALA A 335
SER A 332
TYR A 390
ASP A 351
ILE A 349
 None
 1.20A 1nt2A-4s13A:
undetectable		 1nt2A-4s13A:
19.77
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.
4ydi LIGHT CHAIN OF
ANTIBODY
Z258-VRC27.01

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ALA L  51
SER L  52
ALA L  25
ASP L  32
ILE L  29
 None
None
None
NAG  G 504 (-3.4A)
None
 1.02A 1nt2A-4ydiL:
undetectable		 1nt2A-4ydiL:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		6 GLY A  73
SER A  76
TYR A  99
SER A 100
ALA A 127
ASP A 144
 SAM  A1001 (-3.3A)
None
SAM  A1001 (-3.5A)
SAM  A1001 ( 4.8A)
SAM  A1001 (-3.4A)
SAM  A1001 (-3.6A)
 0.56A 1nt2A-4ymgA:
13.4		 1nt2A-4ymgA:
25.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yry DIHYDROPYRIMIDINE
DEHYDROGENASE
SUBUNIT A

(Thermotoga
maritima) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 GLY B 432
ALA B 444
ALA B 430
ASP B 433
ILE B 434
 FAD  B 503 (-3.2A)
FAD  B 503 (-3.2A)
None
FAD  B 503 (-2.8A)
None
 1.11A 1nt2A-4yryB:
undetectable		 1nt2A-4yryB:
18.38
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.
5a8z NEUTROPHIL ELASTASE

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A 140
SER A  32
SER A 195
ALA A 138
ILE A  16
 None
None
IUL  A1001 (-3.3A)
None
None
 1.16A 1nt2A-5a8zA:
undetectable		 1nt2A-5a8zA:
20.08
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.
5f8e METHYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF13847
(Methyltransf_31) 		5 GLY A 200
SER A 182
SER A 204
ASP A 177
ILE A 201
 None
SAH  A 400 ( 4.7A)
None
SAH  A 400 ( 4.5A)
None
 1.21A 1nt2A-5f8eA:
13.8		 1nt2A-5f8eA:
21.00
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.
5fpn HEAT SHOCK-RELATED
70 KDA PROTEIN 2

(Homo sapiens) 		PF00012
(HSP70) 		5 GLY A  19
ALA A 372
SER A  16
ALA A 131
ILE A   7
 None
 1.17A 1nt2A-5fpnA:
undetectable		 1nt2A-5fpnA:
15.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gin FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Sulfolobus
solfataricus) 		PF01269
(Fibrillarin) 		8 LYS E  60
TYR E  82
GLY E  84
SER E 110
ALA E 134
ASP E 153
ILE E 154
GLN E 156
 U  I   4 ( 3.9A)
SAH  E 301 (-4.9A)
SAH  E 301 (-3.8A)
A  G  24 ( 2.5A)
SAH  E 301 (-3.6A)
SAH  E 301 (-3.7A)
SAH  E 301 ( 4.4A)
SAH  E 301 (-3.8A)
 0.82A 1nt2A-5ginE:
31.6		 1nt2A-5ginE:
41.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gin FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Sulfolobus
solfataricus) 		PF01269
(Fibrillarin) 		9 TYR E  82
GLY E  84
ALA E  86
SER E  87
THR E  90
ALA E 134
ASP E 153
ILE E 154
GLN E 156
 SAH  E 301 (-4.9A)
SAH  E 301 (-3.8A)
SAH  E 301 ( 3.7A)
A  I   6 ( 3.2A)
SAH  E 301 (-3.2A)
SAH  E 301 (-3.6A)
SAH  E 301 (-3.7A)
SAH  E 301 ( 4.4A)
SAH  E 301 (-3.8A)
 0.74A 1nt2A-5ginE:
31.6		 1nt2A-5ginE:
41.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gin FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Sulfolobus
solfataricus) 		PF01269
(Fibrillarin) 		9 TYR E  82
GLY E  84
ALA E  86
THR E  90
SER E 110
ALA E 134
ASP E 153
ILE E 154
GLN E 156
 SAH  E 301 (-4.9A)
SAH  E 301 (-3.8A)
SAH  E 301 ( 3.7A)
SAH  E 301 (-3.2A)
A  G  24 ( 2.5A)
SAH  E 301 (-3.6A)
SAH  E 301 (-3.7A)
SAH  E 301 ( 4.4A)
SAH  E 301 (-3.8A)
 0.58A 1nt2A-5ginE:
31.6		 1nt2A-5ginE:
41.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hsi PUTATIVE
DECARBOXYLASE

(Lactobacillus
brevis) 		PF00282
(Pyridoxal_deC) 		5 GLY A 402
ALA A 161
SER A 385
ASP A 389
ILE A 388
 None
 1.13A 1nt2A-5hsiA:
undetectable		 1nt2A-5hsiA:
16.46
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.
5huc 3-DEOXY-D-ARABINO-HE
PTULOSONATE
7-PHOSPHATE (DAHP)
SYNTHASE

(Corynebacterium
glutamicum) 		PF01474
(DAHP_synth_2) 		5 TYR A 157
GLY A 159
ALA A  98
ASP A 160
ILE A 161
 None
 1.18A 1nt2A-5hucA:
undetectable		 1nt2A-5hucA:
17.93
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.
5hwq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Myxococcus
xanthus) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 ALA A 163
SER A 144
THR A  59
SER A 314
ALA A 320
 None
 1.02A 1nt2A-5hwqA:
undetectable		 1nt2A-5hwqA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		5 TYR A1344
GLY A1346
ALA A1183
ASP A1302
ILE A1301
 None
 0.95A 1nt2A-5jbeA:
undetectable		 1nt2A-5jbeA:
13.66
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.
5nva PUTATIVE
SODIUM:SOLUTE
SYMPORTER

(Proteus
mirabilis) 		no annotation 5 GLY A 292
ALA A  71
THR A 215
SER A  66
ILE A 291
 None
 1.19A 1nt2A-5nvaA:
undetectable		 1nt2A-5nvaA:
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.
5u2p SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Treponema
pallidum) 		PF01547
(SBP_bac_1) 		5 GLY A 310
ALA A 383
THR A 199
ALA A 144
ILE A 147
 EDO  A 504 ( 3.9A)
EDO  A 504 (-2.8A)
EDO  A 504 ( 4.2A)
None
None
 1.20A 1nt2A-5u2pA:
undetectable		 1nt2A-5u2pA:
20.19
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.
5uxn PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Pseudomonas
aeruginosa) 		no annotation 5 TYR A 132
GLY A 134
ALA A  70
ASP A 135
ILE A 136
 None
 1.22A 1nt2A-5uxnA:
undetectable		 1nt2A-5uxnA:
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.
5uze INOSINE-5'-MONOPHOSP
HATE
DEHYDROGENASE,INOSIN
E-5'-MONOPHOSPHATE
DEHYDROGENASE

(Clostridium
perfringens) 		PF00478
(IMPDH) 		5 TYR A 383
GLY A 359
ALA A  47
SER A  48
ILE A 361
 IMP  A 500 (-4.8A)
IMP  A 500 (-3.5A)
IMP  A 500 (-3.6A)
None
None
 1.18A 1nt2A-5uzeA:
undetectable		 1nt2A-5uzeA:
19.56
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.
1dtd CARBOXYPEPTIDASE A2

(Homo sapiens) 		PF00246
(Peptidase_M14) 		3 THR A 433
GLU A 427
ASP A 498
 None
ZN  A 301 (-2.6A)
GLU  A 300 ( 4.5A)
 0.84A 1nt2A-1dtdA:
undetectable		 1nt2A-1dtdA:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ej6 LAMBDA1

(Reovirus sp.) 		no annotation 3 THR B 762
GLU B 770
ASP B 777
 None
 0.82A 1nt2A-1ej6B:
undetectable		 1nt2A-1ej6B:
10.25
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.
1eth TRIACYLGLYCEROL
ACYL-HYDROLASE

(Sus scrofa) 		PF00151
(Lipase)
PF01477
(PLAT) 		3 THR A 256
GLU A  84
ASP A 106
 None
 0.74A 1nt2A-1ethA:
2.4		 1nt2A-1ethA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f1u HOMOPROTOCATECHUATE
2,3-DIOXYGENASE

(Arthrobacter
globiformis) 		PF00903
(Glyoxalase) 		3 THR A   7
GLU A 171
ASP A 180
 None
 0.84A 1nt2A-1f1uA:
0.2		 1nt2A-1f1uA:
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.
1f5n INTERFERON-INDUCED
GUANYLATE-BINDING
PROTEIN 1

(Homo sapiens) 		PF02263
(GBP)
PF02841
(GBP_C) 		3 THR A 532
GLU A 526
ASP A 359
 None
 0.70A 1nt2A-1f5nA:
0.0		 1nt2A-1f5nA:
16.58
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.
1fep FERRIC ENTEROBACTIN
RECEPTOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 THR A 708
GLU A 711
ASP A 676
 None
 0.53A 1nt2A-1fepA:
undetectable		 1nt2A-1fepA:
14.46
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.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		3 THR A 278
GLU A 261
ASP A 313
 None
 0.87A 1nt2A-1ileA:
undetectable		 1nt2A-1ileA:
15.41
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.
1ixr RUVB

(Thermus
thermophilus) 		PF05491
(RuvB_C)
PF05496
(RuvB_N) 		3 THR C 145
GLU C 283
ASP C 277
 None
 0.78A 1nt2A-1ixrC:
0.5		 1nt2A-1ixrC:
22.46
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.
1lrv LEUCINE-RICH REPEAT
VARIANT

(Azotobacter
vinelandii) 		PF01816
(LRV)
PF05484
(LRV_FeS) 		3 THR A 209
GLU A 183
ASP A 159
 None
 0.73A 1nt2A-1lrvA:
undetectable		 1nt2A-1lrvA:
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.
1n8p CYSTATHIONINE
GAMMA-LYASE

(Saccharomyces
cerevisiae) 		PF01053
(Cys_Met_Meta_PP) 		3 THR A  10
GLU A  17
ASP A  20
 None
 0.85A 1nt2A-1n8pA:
0.5		 1nt2A-1n8pA:
19.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		3 THR A  70
GLU A  88
ASP A 113
 SAM  A 301 (-3.1A)
SAM  A 301 (-2.4A)
SAM  A 301 (-3.6A)
 0.01A 1nt2A-1nt2A:
42.3		 1nt2A-1nt2A:
100.00
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.
1prn PORIN

(Rhodobacter
blasticus) 		PF13609
(Porin_4) 		3 THR A 183
GLU A 162
ASP A 156
 None
 0.72A 1nt2A-1prnA:
undetectable		 1nt2A-1prnA:
18.98
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.
1rc9 CYSTEINE-RICH
SECRETORY PROTEIN

(Trimeresurus
stejnegeri) 		PF00188
(CAP)
PF08562
(Crisp) 		3 THR A 184
GLU A  69
ASP A  47
 None
 0.84A 1nt2A-1rc9A:
undetectable		 1nt2A-1rc9A:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tvz 3-HYDROXY-3-METHYLGL
UTARYL-COA SYNTHASE

(Staphylococcus
aureus) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		3 THR A 278
GLU A 109
ASP A 181
 None
 0.85A 1nt2A-1tvzA:
undetectable		 1nt2A-1tvzA:
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.
1vq7 50S RIBOSOMAL
PROTEIN L30P

(Haloarcula
marismortui) 		PF00327
(Ribosomal_L30) 		3 THR W 143
GLU W  37
ASP W  39
 None
None
C  0 946 ( 4.6A)
 0.82A 1nt2A-1vq7W:
undetectable		 1nt2A-1vq7W:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vzv VARICELLA-ZOSTER
VIRUS PROTEASE

(Human
alphaherpesvirus
3) 		PF00716
(Peptidase_S21) 		3 THR A 158
GLU A 106
ASP A  99
 None
 0.70A 1nt2A-1vzvA:
undetectable		 1nt2A-1vzvA:
21.37
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.
1wir PROTEIN ARGININE
N-METHYLTRANSFERASE
3

(Mus musculus) 		no annotation 3 THR A 112
GLU A 108
ASP A  44
 None
 0.69A 1nt2A-1wirA:
undetectable		 1nt2A-1wirA:
21.00
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.
1x9e HMG-COA SYNTHASE

(Enterococcus
faecalis) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		3 THR A 278
GLU A 109
ASP A 181
 None
 0.78A 1nt2A-1x9eA:
undetectable		 1nt2A-1x9eA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x9n DNA LIGASE I

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		3 THR A 506
GLU A 734
ASP A 730
 None
 0.76A 1nt2A-1x9nA:
undetectable		 1nt2A-1x9nA:
16.17
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.
1ys7 TRANSCRIPTIONAL
REGULATORY PROTEIN
PRRA

(Mycobacterium
tuberculosis) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		3 THR A  71
GLU A  99
ASP A  93
 None
 0.84A 1nt2A-1ys7A:
undetectable		 1nt2A-1ys7A:
23.75
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.
1z6o FERRITIN LIGHT CHAIN

(Trichoplusia ni) 		PF00210
(Ferritin) 		3 THR A 132
GLU A  50
ASP A 104
 None
 0.83A 1nt2A-1z6oA:
undetectable		 1nt2A-1z6oA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		3 THR A 461
GLU A 457
ASP A 387
 None
None
ZN  A1751 ( 2.6A)
 0.80A 1nt2A-1z8lA:
undetectable		 1nt2A-1z8lA:
15.00
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.
1zef ALKALINE PHOSPHATASE

(Homo sapiens) 		PF00245
(Alk_phosphatase) 		3 THR A 355
GLU A 311
ASP A 273
 None
MG  A 903 (-2.6A)
None
 0.65A 1nt2A-1zefA:
1.5		 1nt2A-1zefA:
16.74
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.
1zke HYPOTHETICAL PROTEIN
HP1531

(Helicobacter
pylori) 		PF10398
(DUF2443) 		3 THR A  53
GLU A  58
ASP A  11
 None
 0.87A 1nt2A-1zkeA:
undetectable		 1nt2A-1zkeA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ae8 IMIDAZOLEGLYCEROL-PH
OSPHATE DEHYDRATASE

(Staphylococcus
aureus) 		PF00475
(IGPD) 		3 THR A  42
GLU A 162
ASP A  97
 None
MG  A1001 ( 2.6A)
None
 0.81A 1nt2A-2ae8A:
undetectable		 1nt2A-2ae8A:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ap9 ACETYLGLUTAMATE
KINASE

(Mycobacterium
tuberculosis) 		PF00696
(AA_kinase) 		3 THR A 215
GLU A 282
ASP A 286
 None
 0.76A 1nt2A-2ap9A:
4.1		 1nt2A-2ap9A:
21.63
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.
2bvt BETA-1,4-MANNANASE

(Cellulomonas
fimi) 		PF02156
(Glyco_hydro_26) 		3 THR A  40
GLU A 320
ASP A 246
 None
 0.81A 1nt2A-2bvtA:
undetectable		 1nt2A-2bvtA:
17.09
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.
2d7t ANTI
POLYHYDROXYBUTYRATE
ANTIBODY FV, HEAVY
CHAIN
ANTI
POLYHYDROXYBUTYRATE
ANTIBODY FV, LIGHT
CHAIN

(Homo sapiens;
Homo sapiens) 		PF07686
(V-set)
PF07686
(V-set) 		3 THR L  97
GLU H  46
ASP H  90
 None
 0.87A 1nt2A-2d7tL:
undetectable		 1nt2A-2d7tL:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dfs MYOSIN-5A

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ) 		3 THR A 655
GLU A 145
ASP A 134
 None
 0.86A 1nt2A-2dfsA:
undetectable		 1nt2A-2dfsA:
11.23
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.
2ebz REGULATOR OF
G-PROTEIN SIGNALING
12

(Homo sapiens) 		PF00615
(RGS) 		3 THR A  82
GLU A  42
ASP A  34
 None
 0.86A 1nt2A-2ebzA:
undetectable		 1nt2A-2ebzA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f7l 455AA LONG
HYPOTHETICAL
PHOSPHO-SUGAR MUTASE

(Sulfurisphaera
tokodaii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		3 THR A 143
GLU A  58
ASP A  51
 None
 0.77A 1nt2A-2f7lA:
undetectable		 1nt2A-2f7lA:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gbx BIPHENYL
2,3-DIOXYGENASE
ALPHA SUBUNIT

(Sphingobium
yanoikuyae) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		3 THR A  72
GLU A 140
ASP A 159
 None
 0.69A 1nt2A-2gbxA:
undetectable		 1nt2A-2gbxA:
18.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN

(Homo sapiens) 		PF01269
(Fibrillarin) 		3 THR A 173
GLU A 192
ASP A 217
 None
MTA  A4001 (-2.7A)
MTA  A4001 (-3.4A)
 0.23A 1nt2A-2ipxA:
27.5		 1nt2A-2ipxA:
43.78
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.
2k9x UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF09138
(Urm1) 		3 THR A  23
GLU A  94
ASP A  76
 None
 0.82A 1nt2A-2k9xA:
undetectable		 1nt2A-2k9xA:
20.87
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.
2kkn UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF12850
(Metallophos_2) 		3 THR A 156
GLU A 153
ASP A 146
 None
 0.77A 1nt2A-2kknA:
undetectable		 1nt2A-2kknA:
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.
2l1l CAMP-DEPENDENT
PROTEIN KINASE
INHIBITOR ALPHA
EXPORTIN-1

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		3 THR B 620
GLU B 571
ASP A  18
 None
 0.78A 1nt2A-2l1lB:
undetectable		 1nt2A-2l1lB:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o1m PROBABLE AMINO-ACID
ABC TRANSPORTER
EXTRACELLULAR-BINDIN
G PROTEIN YTMK

(Bacillus
subtilis) 		PF00497
(SBP_bac_3) 		3 THR A 232
GLU A  44
ASP A  33
 None
 0.78A 1nt2A-2o1mA:
undetectable		 1nt2A-2o1mA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o1w ENDOPLASMIN

(Canis lupus) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		3 THR A 490
GLU A 487
ASP A 367
 None
 0.78A 1nt2A-2o1wA:
undetectable		 1nt2A-2o1wA:
18.38
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.
2o5p FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug) 		3 THR A 462
GLU A 403
ASP A 339
 None
 0.79A 1nt2A-2o5pA:
undetectable		 1nt2A-2o5pA:
14.64
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.
2pfr ARYLAMINE
N-ACETYLTRANSFERASE
2

(Homo sapiens) 		PF00797
(Acetyltransf_2) 		3 THR A 207
GLU A  49
ASP A  57
 None
 0.83A 1nt2A-2pfrA:
undetectable		 1nt2A-2pfrA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r4s ANTIBODY FOR BETA2
ADRENOCEPTOR, HEAVY
CHAIN
ANTIBODY FOR BETA2
ADRENOCEPTOR, LIGHT
CHAIN

(Mus musculus;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		3 THR L  97
GLU H  46
ASP H  90
 None
 0.86A 1nt2A-2r4sL:
undetectable		 1nt2A-2r4sL:
24.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wyo GLUTATHIONE
SYNTHETASE

(Trypanosoma
brucei) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		3 THR A 457
GLU A 464
ASP A  89
 None
 0.78A 1nt2A-2wyoA:
undetectable		 1nt2A-2wyoA:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xd7 CORE HISTONE
MACRO-H2A.2

(Homo sapiens) 		PF01661
(Macro) 		3 THR A 325
GLU A 291
ASP A 340
 None
 0.75A 1nt2A-2xd7A:
undetectable		 1nt2A-2xd7A:
23.77
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.
2xyd ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		3 THR A 358
GLU A 262
ASP A 266
 3ES  A1611 (-3.6A)
3ES  A1611 ( 4.7A)
None
 0.78A 1nt2A-2xydA:
undetectable		 1nt2A-2xydA:
14.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yln PUTATIVE ABC
TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN, AMINO ACID

(Neisseria
gonorrhoeae) 		PF00497
(SBP_bac_3) 		3 THR A 259
GLU A  77
ASP A  66
 None
 0.87A 1nt2A-2ylnA:
undetectable		 1nt2A-2ylnA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zwa LEUCINE CARBOXYL
METHYLTRANSFERASE 2

(Saccharomyces
cerevisiae) 		PF04072
(LCM)
PF13418
(Kelch_4) 		3 THR A 684
GLU A 383
ASP A 422
 None
 0.84A 1nt2A-2zwaA:
8.6		 1nt2A-2zwaA:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bbj PUTATIVE
THIOESTERASE II

(Thermobifida
fusca) 		PF13622
(4HBT_3) 		3 THR A 169
GLU A 172
ASP A 251
 None
 0.78A 1nt2A-3bbjA:
undetectable		 1nt2A-3bbjA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bfm BIOTIN PROTEIN
LIGASE-LIKE PROTEIN
OF UNKNOWN FUNCTION

(Ruegeria sp.
TM1040) 		PF14563
(DUF4444)
PF16917
(BPL_LplA_LipB_2) 		3 THR A  45
GLU A  42
ASP A  24
 None
CA  A 235 (-2.1A)
None
 0.84A 1nt2A-3bfmA:
undetectable		 1nt2A-3bfmA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bxo N,N-DIMETHYLTRANSFER
ASE

(Streptomyces
venezuelae) 		PF13649
(Methyltransf_25) 		3 THR A  51
GLU A  67
ASP A  89
 None
SAM  A 238 (-2.7A)
SAM  A 238 (-3.0A)
 0.54A 1nt2A-3bxoA:
13.7		 1nt2A-3bxoA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f7w PUTATIVE
FRUCTOSAMINE-3-KINAS
E

(Thermobifida
fusca) 		PF03881
(Fructosamin_kin) 		3 THR A  85
GLU A  60
ASP A 193
 None
EDO  A 293 (-3.5A)
None
 0.84A 1nt2A-3f7wA:
undetectable		 1nt2A-3f7wA:
20.14
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.
3ffv PROTEIN SYD

(Escherichia
coli) 		PF07348
(Syd) 		3 THR A  79
GLU A  66
ASP A  70
 None
 0.79A 1nt2A-3ffvA:
undetectable		 1nt2A-3ffvA:
21.24
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.
3frk QDTB

(Thermoanaerobacterium
thermosaccharolyticum) 		PF01041
(DegT_DnrJ_EryC1) 		3 THR A 199
GLU A  42
ASP A  36
 None
 0.68A 1nt2A-3frkA:
2.1		 1nt2A-3frkA:
21.54
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.
3fxb TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Ruegeria
pomeroyi) 		PF03480
(DctP) 		3 THR A  67
GLU A  73
ASP A 294
 None
 0.87A 1nt2A-3fxbA:
undetectable		 1nt2A-3fxbA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gbr ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Sulfolobus
solfataricus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		3 THR A 249
GLU A 286
ASP A 281
 None
 0.85A 1nt2A-3gbrA:
2.8		 1nt2A-3gbrA:
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.
3i1c DIISOPROPYL-FLUOROPH
OSPHATASE

(Loligo vulgaris) 		PF08450
(SGL) 		3 THR A 159
GLU A 127
ASP A 184
 None
 0.85A 1nt2A-3i1cA:
undetectable		 1nt2A-3i1cA:
21.10
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.
3igo CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		3 THR A 156
GLU A 153
ASP A 131
 None
 0.76A 1nt2A-3igoA:
undetectable		 1nt2A-3igoA:
19.67
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.
3ivu HOMOCITRATE
SYNTHASE,
MITOCHONDRIAL

(Schizosaccharomyces
pombe) 		PF00682
(HMGL-like) 		3 THR A 249
GLU A 291
ASP A 396
 None
 0.82A 1nt2A-3ivuA:
undetectable		 1nt2A-3ivuA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF11

(Schizosaccharomyces
pombe) 		PF13087
(AAA_12)
PF16399
(Aquarius_N) 		3 THR X1236
GLU X1085
ASP X1076
 None
 0.80A 1nt2A-3jb9X:
undetectable		 1nt2A-3jb9X:
10.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kfl METHIONYL-TRNA
SYNTHETASE

(Leishmania
major) 		PF09334
(tRNA-synt_1g) 		3 THR A 367
GLU A 337
ASP A 445
 None
 0.86A 1nt2A-3kflA:
2.7		 1nt2A-3kflA:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjl PROTEIN SUS1
SAGA-ASSOCIATED
FACTOR 11

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF10163
(EnY2)
no annotation 		3 THR A  56
GLU E  31
ASP A  40
 None
 0.81A 1nt2A-3kjlA:
undetectable		 1nt2A-3kjlA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ljb INTERFERON-INDUCED
GTP-BINDING PROTEIN
MX1

(Homo sapiens) 		PF01031
(Dynamin_M)
PF02212
(GED) 		3 THR A 416
GLU A 410
ASP A 478
 None
 0.74A 1nt2A-3ljbA:
undetectable		 1nt2A-3ljbA:
23.62
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.
3mgz 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00926
(DHBP_synthase) 		3 THR A  53
GLU A  31
ASP A  25
 None
 0.63A 1nt2A-3mgzA:
undetectable		 1nt2A-3mgzA:
19.73
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.
3mq9 BONE MARROW STROMAL
ANTIGEN 2 FUSED TO
MALTOSE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8)
PF16716
(BST2) 		3 THR A 237
GLU A 214
ASP A 209
 None
 0.72A 1nt2A-3mq9A:
undetectable		 1nt2A-3mq9A:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n9b PROBABLE
ATP-DEPENDENT DNA
LIGASE

(Pseudomonas
aeruginosa) 		PF13298
(LigD_N) 		3 THR A 114
GLU A  54
ASP A  87
 None
 0.72A 1nt2A-3n9bA:
undetectable		 1nt2A-3n9bA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nz4 PHENYLALANINE
AMMONIA-LYASE

(Taxus
canadensis) 		PF00221
(Lyase_aromatic) 		3 THR A 256
GLU A 263
ASP A 303
 None
 0.62A 1nt2A-3nz4A:
undetectable		 1nt2A-3nz4A:
16.27
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.
3o80 HEXOKINASE

(Kluyveromyces
lactis) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		3 THR A  35
GLU A 385
ASP A 352
 ANP  A 487 (-4.2A)
None
None
 0.83A 1nt2A-3o80A:
undetectable		 1nt2A-3o80A:
18.28
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.
3odp PUTATIVE
TAGATOSE-6-PHOSPHATE
KETOSE/ALDOSE
ISOMERASE

(Clostridium
novyi) 		PF01380
(SIS) 		3 THR A 124
GLU A 131
ASP A 136
 None
 0.86A 1nt2A-3odpA:
3.5		 1nt2A-3odpA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ox4 ALCOHOL
DEHYDROGENASE 2

(Zymomonas
mobilis) 		PF00465
(Fe-ADH) 		3 THR A 206
GLU A 201
ASP A 194
 None
None
FE2  A 501 (-2.2A)
 0.74A 1nt2A-3ox4A:
3.1		 1nt2A-3ox4A:
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.
3pe7 OLIGOGALACTURONATE
LYASE

(Yersinia
enterocolitica) 		PF14583
(Pectate_lyase22) 		3 THR A 226
GLU A 223
ASP A 135
 None
 0.86A 1nt2A-3pe7A:
undetectable		 1nt2A-3pe7A:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3psg PEPSINOGEN

(Sus scrofa) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		3 THR A 283
GLU A 287
ASP A 290
 None
 0.74A 1nt2A-3psgA:
undetectable		 1nt2A-3psgA:
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.
3pt1 UPF0364 PROTEIN
YMR027W

(Saccharomyces
cerevisiae) 		PF01937
(DUF89) 		3 THR A 203
GLU A 156
ASP A 325
 None
 0.73A 1nt2A-3pt1A:
4.0		 1nt2A-3pt1A:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q33 HISTONE
ACETYLTRANSFERASE
RTT109

(Saccharomyces
cerevisiae) 		PF08214
(HAT_KAT11) 		3 THR A 372
GLU A 378
ASP A 385
 None
 0.84A 1nt2A-3q33A:
2.1		 1nt2A-3q33A:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qm1 CINNAMOYL ESTERASE

(Lactobacillus
johnsonii) 		PF12146
(Hydrolase_4) 		3 THR A   3
GLU A  18
ASP A  52
 None
 0.83A 1nt2A-3qm1A:
4.2		 1nt2A-3qm1A:
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.
3qmq AUTOINDUCER-2 (AI-2)
MODIFYING PROTEIN
LSRG

(Escherichia
coli) 		PF03992
(ABM) 		3 THR A  73
GLU A  17
ASP A  13
 None
 0.86A 1nt2A-3qmqA:
undetectable		 1nt2A-3qmqA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rc3 ATP-DEPENDENT RNA
HELICASE SUPV3L1,
MITOCHONDRIAL

(Homo sapiens) 		PF00271
(Helicase_C)
PF12513
(SUV3_C) 		3 THR A 209
GLU A 322
ASP A 503
 ANP  A 801 (-3.5A)
None
None
 0.86A 1nt2A-3rc3A:
undetectable		 1nt2A-3rc3A:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rf7 IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Shewanella
denitrificans) 		PF00465
(Fe-ADH) 		3 THR A 206
GLU A 201
ASP A 194
 None
None
FE  A 360 (-2.0A)
 0.83A 1nt2A-3rf7A:
undetectable		 1nt2A-3rf7A:
19.36
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		3 THR A 245
GLU A 202
ASP A  58
 None
ADE  A 345 (-2.8A)
None
 0.85A 1nt2A-3rysA:
undetectable		 1nt2A-3rysA:
19.64
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.
3sgg HYPOTHETICAL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF14323
(GxGYxYP_C)
PF16216
(GxGYxYP_N) 		3 THR A 513
GLU A 474
ASP A 433
 None
 0.69A 1nt2A-3sggA:
undetectable		 1nt2A-3sggA:
18.10
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.
3sqz PUTATIVE
HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Streptococcus
mutans) 		PF00195
(Chal_sti_synt_N)
PF08540
(HMG_CoA_synt_C) 		3 THR A 279
GLU A 109
ASP A 181
 None
 0.83A 1nt2A-3sqzA:
undetectable		 1nt2A-3sqzA:
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.
3sv0 CASEIN KINASE I-LIKE

(Oryza sativa) 		PF00069
(Pkinase) 		3 THR A  63
GLU A 117
ASP A 265
 None
 0.83A 1nt2A-3sv0A:
undetectable		 1nt2A-3sv0A:
18.00
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.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		3 THR A 283
GLU A 258
ASP A 120
 None
 0.76A 1nt2A-3t8lA:
undetectable		 1nt2A-3t8lA:
15.16
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.
3tbk RIG-I HELICASE
DOMAIN

(Mus musculus) 		PF00271
(Helicase_C)
PF04851
(ResIII) 		3 THR A 507
GLU A 717
ASP A 614
 None
 0.70A 1nt2A-3tbkA:
3.7		 1nt2A-3tbkA:
16.91
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.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Bos taurus) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase) 		3 THR A 741
GLU A 747
ASP A 814
 None
 0.83A 1nt2A-3tlmA:
undetectable		 1nt2A-3tlmA:
11.90
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.
3tm5 CRYSTAL STRUCTURE OF
TRM14

(Pyrococcus
furiosus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		3 THR A 230
GLU A 248
ASP A 276
 SFG  A 401 (-3.3A)
SFG  A 401 (-2.6A)
SFG  A 401 (-3.4A)
 0.68A 1nt2A-3tm5A:
14.1		 1nt2A-3tm5A:
19.20
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.
3txa CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF00092
(VWA) 		3 THR A 211
GLU A 208
ASP A 176
 None
 0.78A 1nt2A-3txaA:
undetectable		 1nt2A-3txaA:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uaq LBPB B-LOBE

(Moraxella bovis) 		PF01298
(TbpB_B_D)
PF17484
(TbpB_A) 		3 THR A 174
GLU A 320
ASP A 160
 None
 0.80A 1nt2A-3uaqA:
undetectable		 1nt2A-3uaqA:
18.93
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.
3uof BACTERIOFERRITIN

(Mycobacterium
tuberculosis) 		PF00210
(Ferritin) 		3 THR A 115
GLU A  57
ASP A  50
 None
 0.70A 1nt2A-3uofA:
undetectable		 1nt2A-3uofA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uw3 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Burkholderia
thailandensis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 THR A 156
GLU A 241
ASP A 232
 None
 0.78A 1nt2A-3uw3A:
3.5		 1nt2A-3uw3A:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vdz UBIQUITIN-40S
RIBOSOMAL PROTEIN
S27A

(Homo sapiens;
synthetic
construct) 		PF00240
(ubiquitin) 		3 THR A 155
GLU A 118
ASP A  86
 None
None
GD  A 202 (-3.3A)
 0.55A 1nt2A-3vdzA:
undetectable		 1nt2A-3vdzA:
21.74
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.
3ved DYPB

(Rhodococcus
jostii) 		PF04261
(Dyp_perox) 		3 THR A 228
GLU A 239
ASP A 162
 None
 0.83A 1nt2A-3vedA:
undetectable		 1nt2A-3vedA:
20.56
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		3 THR A2251
GLU A2257
ASP A2201
 None
 0.86A 1nt2A-3vkgA:
undetectable		 1nt2A-3vkgA:
5.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vor CFA/III PILIN

(Escherichia
coli) 		PF05946
(TcpA) 		3 THR A 148
GLU A  97
ASP A  75
 None
 0.79A 1nt2A-3vorA:
undetectable		 1nt2A-3vorA:
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.
3wvj BETA-GLUCANASE

(Ruminiclostridium
thermocellum) 		PF00722
(Glyco_hydro_16) 		3 THR A  70
GLU A 236
ASP A 174
 None
 0.77A 1nt2A-3wvjA:
undetectable		 1nt2A-3wvjA:
18.62
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.
3x0y DSZC

(Rhodococcus
erythropolis) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		3 THR A  75
GLU A  82
ASP A 271
 None
 0.84A 1nt2A-3x0yA:
undetectable		 1nt2A-3x0yA:
18.62
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.
4bp8 OLIGOPEPTIDASE B

(Trypanosoma
brucei) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		3 THR A 124
GLU A 131
ASP A 136
 None
 0.82A 1nt2A-4bp8A:
undetectable		 1nt2A-4bp8A:
14.94
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.
4c00 TRANSLOCATION AND
ASSEMBLY MODULE TAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA)
PF17243
(POTRA_TamA_1) 		3 THR A 536
GLU A 524
ASP A 528
 MC3  A 603 (-3.2A)
None
None
 0.54A 1nt2A-4c00A:
undetectable		 1nt2A-4c00A:
17.06
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.
4c0a IQ MOTIF AND SEC7
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF01369
(Sec7)
PF16453
(IQ_SEC7_PH) 		3 THR A 433
GLU A 474
ASP A 476
 None
 0.80A 1nt2A-4c0aA:
undetectable		 1nt2A-4c0aA:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ce4 MRPL4

(Sus scrofa) 		PF00573
(Ribosomal_L4) 		3 THR F 197
GLU F 194
ASP F 191
 None
 0.85A 1nt2A-4ce4F:
undetectable		 1nt2A-4ce4F:
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.
4cgt CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		3 THR A 619
GLU A 610
ASP A 583
 None
 0.84A 1nt2A-4cgtA:
undetectable		 1nt2A-4cgtA:
13.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4df3 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Aeropyrum
pernix) 		PF01269
(Fibrillarin) 		3 THR A  90
GLU A 109
ASP A 134
 SAM  A 301 (-3.9A)
SAM  A 301 (-2.9A)
SAM  A 301 (-3.3A)
 0.46A 1nt2A-4df3A:
28.1		 1nt2A-4df3A:
44.21