SIMILAR PATTERNS OF AMINO ACIDS FOR 3ID6_C_SAMC301

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.
1e5m BETA KETOACYL ACYL
CARRIER PROTEIN
SYNTHASE II

(Synechocystis
sp. PCC 6803) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 238
ALA A 196
THR A 110
GLU A 237
ILE A  17
 None
 1.18A 3id6C-1e5mA:
0.3		 3id6C-1e5mA:
23.95
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) 		6 GLY A  82
THR A  88
GLU A 105
ASP A 130
ALA A 131
ASP A 150
 None
 0.80A 3id6C-1fbnA:
31.7		 3id6C-1fbnA:
49.14
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) 		6 THR A  88
GLU A 105
ASP A 130
ALA A 131
ASP A 150
GLN A 153
 None
 0.94A 3id6C-1fbnA:
31.7		 3id6C-1fbnA:
49.14
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
ALA A  83
ALA A 131
ASP A 150
 None
 1.08A 3id6C-1fbnA:
31.7		 3id6C-1fbnA:
49.14
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) 		6 TYR A  80
GLY A  82
THR A  88
ASP A 130
ALA A 131
ASP A 150
 None
 0.68A 3id6C-1fbnA:
31.7		 3id6C-1fbnA:
49.14
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) 		6 TYR A  80
THR A  88
ASP A 130
ALA A 131
ASP A 150
GLN A 153
 None
 0.83A 3id6C-1fbnA:
31.7		 3id6C-1fbnA:
49.14
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.
1h79 ANAEROBIC
RIBONUCLEOTIDE-TRIPH
OSPHATE REDUCTASE
LARGE CHAIN

(Escherichia
virus T4) 		PF13597
(NRDD) 		5 TYR A 507
GLY A 535
ALA A 527
ASP A 268
ILE A 269
 None
 1.16A 3id6C-1h79A:
0.9		 3id6C-1h79A:
19.22
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.
1j5s URONATE ISOMERASE

(Thermotoga
maritima) 		PF02614
(UxaC) 		5 TYR A 340
GLY A 363
ALA A 364
ASP A 386
ALA A 354
 None
 1.05A 3id6C-1j5sA:
1.5		 3id6C-1j5sA:
19.07
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.
1jsc ACETOHYDROXY-ACID
SYNTHASE

(Saccharomyces
cerevisiae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 374
GLU A 407
SER A 409
ASP A 426
ALA A 427
 FAD  A 701 (-3.5A)
FAD  A 701 (-2.9A)
FAD  A 701 ( 3.9A)
FAD  A 701 (-3.8A)
FAD  A 701 (-3.5A)
 1.14A 3id6C-1jscA:
0.9		 3id6C-1jscA:
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.
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
 1.13A 3id6C-1mabB:
undetectable		 3id6C-1mabB:
19.92
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) 		10 GLY A  65
ALA A  67
THR A  70
GLU A  88
SER A  90
ASP A 113
ALA A 114
ASP A 133
ILE A 134
GLN A 136
 SAM  A 301 ( 3.8A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.1A)
SAM  A 301 (-2.4A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.4A)
 1.28A 3id6C-1nt2A:
27.9		 3id6C-1nt2A:
41.03
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) 		11 TYR A  63
GLY A  65
ALA A  67
THR A  71
GLU A  88
SER A  90
ASP A 113
ALA A 114
ASP A 133
ILE A 134
GLN A 136
 None
SAM  A 301 ( 3.8A)
SAM  A 301 (-3.1A)
SAM  A 301 (-4.1A)
SAM  A 301 (-2.4A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.4A)
 0.68A 3id6C-1nt2A:
27.9		 3id6C-1nt2A:
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.
1ocm MALONAMIDASE E2

(Bradyrhizobium
japonicum) 		PF01425
(Amidase) 		5 GLY A 215
PHE A 213
SER A 211
ALA A 201
ILE A 216
 None
 1.14A 3id6C-1ocmA:
undetectable		 3id6C-1ocmA:
22.66
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.
1rp0 THIAZOLE
BIOSYNTHETIC ENZYME

(Arabidopsis
thaliana) 		PF01946
(Thi4) 		5 GLY A  46
ALA A  47
GLU A  70
SER A  72
ALA A 143
 AHZ  A 600 (-3.1A)
None
AHZ  A 600 (-2.7A)
None
AHZ  A 600 (-3.9A)
 1.12A 3id6C-1rp0A:
3.8		 3id6C-1rp0A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ufr PYR MRNA-BINDING
ATTENUATION PROTEIN

(Thermus
thermophilus) 		PF00156
(Pribosyltran) 		5 GLY A 149
ALA A  16
PHE A 147
ASP A 146
ALA A 145
 None
 1.14A 3id6C-1ufrA:
undetectable		 3id6C-1ufrA:
24.69
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.
1xrs D-LYSINE
5,6-AMINOMUTASE
ALPHA SUBUNIT

(Acetoanaerobium
sticklandii) 		PF09043
(Lys-AminoMut_A) 		5 GLY A 224
ALA A 225
ALA A 173
ASP A 221
ILE A 231
 None
 1.14A 3id6C-1xrsA:
undetectable		 3id6C-1xrsA:
18.31
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.
1xrs D-LYSINE
5,6-AMINOMUTASE
ALPHA SUBUNIT

(Acetoanaerobium
sticklandii) 		PF09043
(Lys-AminoMut_A) 		5 THR A 410
ASP A 178
ALA A 177
ILE A 425
GLN A 429
 None
 1.03A 3id6C-1xrsA:
undetectable		 3id6C-1xrsA:
18.31
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.
1xzn PYRR BIFUNCTIONAL
PROTEIN

([Bacillus]
caldolyticus) 		PF00156
(Pribosyltran) 		5 GLY A 150
ALA A  15
PHE A 148
ASP A 147
ALA A 146
 None
 1.12A 3id6C-1xznA:
undetectable		 3id6C-1xznA:
21.03
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.
1yb2 HYPOTHETICAL PROTEIN
TA0852

(Thermoplasma
acidophilum) 		PF08704
(GCD14) 		5 GLY A  98
GLU A 122
ASP A 150
ASP A 166
ILE A 167
 None
 0.71A 3id6C-1yb2A:
15.1		 3id6C-1yb2A:
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.
2a8x DIHYDROLIPOYL
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 178
ALA A 179
GLU A 201
PHE A 202
ILE A 267
 None
 1.11A 3id6C-2a8xA:
4.5		 3id6C-2a8xA:
19.31
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.
2fiy PROTEIN FDHE HOMOLOG

(Pseudomonas
aeruginosa) 		PF04216
(FdhE) 		5 GLY A  33
ALA A  30
ASP A 279
ALA A 278
GLN A  38
 None
 1.19A 3id6C-2fiyA:
undetectable		 3id6C-2fiyA:
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.
2g17 N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Salmonella
enterica) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 GLY A 312
ALA A 313
ALA A 158
ASP A 307
ILE A 239
 None
 1.12A 3id6C-2g17A:
undetectable		 3id6C-2g17A:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gpy O-METHYLTRANSFERASE

(Bacillus
halodurans) 		PF01596
(Methyltransf_3) 		5 GLY A  62
ALA A  64
ASP A 113
ALA A 114
ASP A 133
 None
None
ZN  A 306 ( 4.7A)
None
None
 0.77A 3id6C-2gpyA:
14.3		 3id6C-2gpyA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gpy O-METHYLTRANSFERASE

(Bacillus
halodurans) 		PF01596
(Methyltransf_3) 		5 GLY A  62
ALA A  64
GLU A  85
ASP A 113
ALA A 114
 None
None
None
ZN  A 306 ( 4.7A)
None
 0.38A 3id6C-2gpyA:
14.3		 3id6C-2gpyA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.88A 3id6C-2ipjA:
undetectable		 3id6C-2ipjA:
18.90
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 PHE A 193
SER A 194
ASP A 217
ALA A 218
GLN A 240
 MTA  A4001 (-3.5A)
None
MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.0A)
 1.06A 3id6C-2ipxA:
26.9		 3id6C-2ipxA:
44.49
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) 		10 TYR A 166
GLY A 168
ALA A 170
THR A 174
GLU A 192
SER A 194
ASP A 217
ALA A 218
ASP A 237
GLN A 240
 None
MTA  A4001 (-3.3A)
MTA  A4001 (-3.6A)
None
MTA  A4001 (-2.7A)
None
MTA  A4001 (-3.4A)
MTA  A4001 (-3.4A)
MTA  A4001 (-4.3A)
MTA  A4001 (-4.0A)
 0.46A 3id6C-2ipxA:
26.9		 3id6C-2ipxA:
44.49
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.
2nda MID-CELL-ANCHORED
PROTEIN Z

(Streptococcus
pneumoniae) 		no annotation 5 TYR A  79
GLY A  78
SER A  39
ASP A  35
ALA A  32
 None
 1.19A 3id6C-2ndaA:
undetectable		 3id6C-2ndaA:
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.
2np0 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 GLY A1045
SER A 964
ASP A1046
ILE A1047
GLN A1051
 None
 0.89A 3id6C-2np0A:
undetectable		 3id6C-2np0A:
11.12
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.
2nya PERIPLASMIC NITRATE
REDUCTASE

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 TYR A 352
GLY A 150
ALA A 147
SER A 777
ASP A 283
 None
 1.06A 3id6C-2nyaA:
undetectable		 3id6C-2nyaA:
16.04
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.
2nzu CATABOLITE CONTROL
PROTEIN
PHOSPHOCARRIER
PROTEIN HPR

(Bacillus
megaterium;
Bacillus
megaterium) 		PF13377
(Peripla_BP_3)
PF00381
(PTS-HPr) 		6 GLY G 298
THR L  20
ALA G 145
ASP G 296
ILE G 297
GLN G 292
 None
 1.44A 3id6C-2nzuG:
undetectable		 3id6C-2nzuG:
22.70
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.
2o4v PORIN P

(Pseudomonas
aeruginosa) 		PF07396
(Porin_O_P) 		5 GLY A  33
GLU A  64
ASP A  80
ALA A  61
GLN A  36
 None
GOL  A 802 (-4.0A)
None
None
None
 1.11A 3id6C-2o4vA:
undetectable		 3id6C-2o4vA:
21.20
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.
2p10 MLL9387 PROTEIN

(Mesorhizobium
japonicum) 		PF09370
(PEP_hydrolase) 		5 GLY A  33
ALA A 258
GLU A 262
ALA A  40
ILE A  53
 None
CL  A 290 (-4.0A)
None
None
None
 1.06A 3id6C-2p10A:
undetectable		 3id6C-2p10A:
23.10
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.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 124
GLU A 147
ASP A 178
ALA A 179
ASP A 196
 S4M  A 501 (-3.4A)
S4M  A 501 (-2.7A)
S4M  A 501 (-3.3A)
S4M  A 501 (-3.5A)
S4M  A 501 (-2.6A)
 0.70A 3id6C-2pt6A:
5.6		 3id6C-2pt6A:
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.
2py6 METHYLTRANSFERASE
FKBM

(Methylobacillus
flagellatus) 		PF05050
(Methyltransf_21) 		5 GLY A 233
GLU A 258
ALA A 290
ASP A 341
ILE A 342
 UNL  A 414 (-4.0A)
None
UNL  A 414 (-3.9A)
None
UNL  A 414 (-3.1A)
 0.65A 3id6C-2py6A:
4.4		 3id6C-2py6A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.91A 3id6C-2qt3A:
undetectable		 3id6C-2qt3A:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.16A 3id6C-2r3bA:
4.5		 3id6C-2r3bA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v76 DOCKING PROTEIN 1

(Homo sapiens) 		PF02174
(IRS) 		5 GLY A  90
ALA A  88
PHE A  85
ASP A  92
ILE A  93
 None
 1.05A 3id6C-2v76A:
undetectable		 3id6C-2v76A:
17.87
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.
2vob TRYPANOTHIONE
SYNTHETASE

(Leishmania
major) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		5 TYR A  25
GLY A  24
SER A  34
ASP A 146
ALA A 145
 None
 1.20A 3id6C-2vobA:
undetectable		 3id6C-2vobA:
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.
2xrm INTRACELLULAR
SUBTILISIN PROTEASE

(Bacillus
clausii) 		PF00082
(Peptidase_S8) 		5 GLY A 299
ALA A 297
PHE A 302
ALA A 288
ILE A 227
 None
 1.03A 3id6C-2xrmA:
undetectable		 3id6C-2xrmA:
22.22
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.
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
 0.96A 3id6C-3a31A:
undetectable		 3id6C-3a31A:
21.06
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.
3afe HYDROXYLASE,
PUTATIVE

(Mycobacterium
tuberculosis) 		PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 GLY A 219
ALA A 222
ASP A 215
ALA A 212
ASP A 100
 None
 0.90A 3id6C-3afeA:
undetectable		 3id6C-3afeA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aqu AT4G19810

(Arabidopsis
thaliana) 		PF00704
(Glyco_hydro_18) 		5 TYR A 312
ALA A 213
SER A 159
ALA A 228
ILE A 219
 None
 1.18A 3id6C-3aquA:
undetectable		 3id6C-3aquA:
20.55
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.
3dul O-METHYLTRANSFERASE,
PUTATIVE

(Bacillus cereus) 		PF01596
(Methyltransf_3) 		5 GLY A  66
GLU A  90
SER A  92
ALA A 119
ASP A 140
 None
 0.98A 3id6C-3dulA:
14.4		 3id6C-3dulA:
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.
3fjo NADPH-CYTOCHROME
P450 REDUCTASE

(Saccharomyces
cerevisiae;
Homo sapiens) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		5 GLY A 151
THR A 192
SER A 112
ALA A 167
ILE A 115
 None
 1.18A 3id6C-3fjoA:
5.4		 3id6C-3fjoA:
17.97
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.
3fwz INNER MEMBRANE
PROTEIN YBAL

(Escherichia
coli) 		PF02254
(TrkA_N) 		5 GLY A 424
GLU A 447
SER A 449
ALA A 468
ILE A 489
 AMP  A 601 (-3.5A)
AMP  A 601 (-2.8A)
None
AMP  A 601 (-3.9A)
AMP  A 601 (-3.6A)
 0.78A 3id6C-3fwzA:
7.8		 3id6C-3fwzA:
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.
3g77 CYTOSINE DEAMINASE

(Escherichia
coli) 		PF07969
(Amidohydro_3) 		5 GLY A 181
SER A 196
ALA A 204
ASP A 212
ILE A 211
 None
 1.00A 3id6C-3g77A:
undetectable		 3id6C-3g77A:
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.
3g7q VALINE-PYRUVATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00155
(Aminotran_1_2) 		5 GLY A 222
ALA A 220
SER A 186
ALA A 233
ILE A 229
 None
 1.17A 3id6C-3g7qA:
undetectable		 3id6C-3g7qA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gfb L-THREONINE
3-DEHYDROGENASE

(Thermococcus
kodakarensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 175
ALA A 176
GLU A 199
SER A 201
ALA A 246
 NAD  A 500 (-3.2A)
None
NAD  A 500 (-2.8A)
None
NAD  A 500 (-3.3A)
 1.17A 3id6C-3gfbA:
6.8		 3id6C-3gfbA:
22.93
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.
3gjy SPERMIDINE SYNTHASE

(Corynebacterium
glutamicum) 		no annotation 5 GLY A  94
GLU A 117
ASP A 144
ALA A 145
ASP A 163
 None
FMT  A 315 (-3.6A)
None
None
None
 0.74A 3id6C-3gjyA:
10.3		 3id6C-3gjyA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A  59
THR A  67
SER A 121
ALA A 133
ILE A 136
 None
RAB  A 602 (-4.5A)
None
None
None
 1.11A 3id6C-3glqA:
5.9		 3id6C-3glqA:
17.94
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.
3iht S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE

(Ruegeria
pomeroyi) 		PF12692
(Methyltransf_17) 		5 GLY A  47
THR A  53
GLU A  70
ASP A  90
ASP A 112
 SAM  A 200 (-3.3A)
SAM  A 200 (-3.4A)
SAM  A 200 (-2.7A)
SAM  A 200 (-3.2A)
SAM  A 200 (-3.7A)
 0.79A 3id6C-3ihtA:
11.4		 3id6C-3ihtA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jcm U4/U6 SMALL NUCLEAR
RIBONUCLEOPROTEIN
PRP4

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 THR B 185
PHE B 279
ASP B 293
ALA B 294
ASP B 229
 None
 1.02A 3id6C-3jcmB:
undetectable		 3id6C-3jcmB:
19.35
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.
3k9d ALDEHYDE
DEHYDROGENASE

(Listeria
monocytogenes) 		PF00171
(Aldedh) 		5 GLY A 403
ALA A 404
THR A 411
ALA A 224
ILE A 239
 None
 1.18A 3id6C-3k9dA:
4.0		 3id6C-3k9dA:
19.83
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.
3kv4 PHD FINGER PROTEIN 8

(Homo sapiens) 		PF00628
(PHD)
PF02373
(JmjC) 		5 GLY A 251
ALA A 346
THR A 315
GLU A 350
ASP A 357
 None
None
None
None
EDO  A 463 ( 4.5A)
 1.01A 3id6C-3kv4A:
undetectable		 3id6C-3kv4A:
19.91
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.
3l9x GLUTATHIONE-REGULATE
D POTASSIUM-EFFLUX
SYSTEM PROTEIN KEFC,
LINKER, ANCILLARY
PROTEIN KEFF

(Escherichia
coli) 		PF02254
(TrkA_N)
PF02525
(Flavodoxin_2) 		5 GLY A 406
THR A 414
ASP A 449
ALA A 450
ILE A 471
 None
 1.08A 3id6C-3l9xA:
8.1		 3id6C-3l9xA:
17.70
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.
3mqt MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLU A 291
ALA A 267
ASP A 297
ILE A 298
GLN A 268
 None
 1.19A 3id6C-3mqtA:
undetectable		 3id6C-3mqtA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3odt PROTEIN DOA1

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 PHE A 287
SER A 288
ASP A 233
ILE A 245
GLN A 255
 None
 1.12A 3id6C-3odtA:
undetectable		 3id6C-3odtA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.18A 3id6C-3qe7A:
undetectable		 3id6C-3qe7A:
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.
3tdf DIHYDRODIPICOLINATE
SYNTHASE

(Acinetobacter
baumannii) 		PF00701
(DHDPS) 		5 TYR A 184
GLY A 201
SER A 215
ALA A 191
ASP A 200
 None
 1.06A 3id6C-3tdfA:
undetectable		 3id6C-3tdfA:
21.59
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.
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
 1.08A 3id6C-3u02A:
undetectable		 3id6C-3u02A:
24.52
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.
3uko ALCOHOL
DEHYDROGENASE
CLASS-3

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 224
PHE A 269
SER A 268
ALA A 211
ASP A 226
 None
None
None
None
NAD  A 402 (-2.8A)
 1.18A 3id6C-3ukoA:
7.3		 3id6C-3ukoA:
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.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		5 GLY A 104
GLU A 133
ASP A 174
ALA A 175
ASP A 193
 SAM  A 501 (-3.6A)
SAM  A 501 (-2.3A)
SAM  A 501 (-3.4A)
SAM  A 501 (-3.8A)
SAM  A 501 (-3.8A)
 0.58A 3id6C-3vywA:
3.5		 3id6C-3vywA:
25.54
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) 		7 TYR E  79
GLY E  81
ALA E  83
THR E  87
ASP E 130
ALA E 131
GLN E 153
 None
None
C  X   5 ( 2.4A)
C  X   6 ( 2.6A)
None
None
G  A  24 ( 3.0A)
 0.77A 3id6C-4by9E:
31.4		 3id6C-4by9E:
51.29
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) 		9 TYR E  79
GLY E  81
ALA E  83
THR E  87
GLU E 105
PHE E 106
SER E 107
ASP E 130
ALA E 131
 None
None
C  X   5 ( 2.4A)
C  X   6 ( 2.6A)
None
None
G  A  22 ( 2.7A)
None
None
 0.75A 3id6C-4by9E:
31.4		 3id6C-4by9E:
51.29
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) 		7 TYR E  79
GLY E  81
THR E  87
ASP E 130
ALA E 131
ASP E 150
GLN E 153
 None
None
C  X   6 ( 2.6A)
None
None
C  X   5 ( 3.2A)
G  A  24 ( 3.0A)
 0.88A 3id6C-4by9E:
31.4		 3id6C-4by9E:
51.29
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) 		9 TYR E  79
GLY E  81
THR E  87
GLU E 105
PHE E 106
SER E 107
ASP E 130
ALA E 131
ASP E 150
 None
None
C  X   6 ( 2.6A)
None
None
G  A  22 ( 2.7A)
None
None
C  X   5 ( 3.2A)
 0.64A 3id6C-4by9E:
31.4		 3id6C-4by9E:
51.29
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) 		9 TYR A  83
GLY A  85
ALA A  87
THR A  91
GLU A 109
ASP A 134
ALA A 135
ASP A 154
GLN A 157
 SAM  A 301 (-4.5A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.3A)
SAM  A 301 (-2.9A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.8A)
 0.43A 3id6C-4df3A:
32.4		 3id6C-4df3A:
53.22
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.
4dup QUINONE
OXIDOREDUCTASE

(Rhizobium etli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 237
ALA A 234
SER A 148
ALA A 141
ASP A 236
 None
 1.20A 3id6C-4dupA:
7.0		 3id6C-4dupA:
22.19
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.
4hds ARSA

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 GLY A 116
ALA A 118
THR A  84
ILE A 132
GLN A 149
 None
 1.16A 3id6C-4hdsA:
undetectable		 3id6C-4hdsA:
21.20
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.
4i3g BETA-GLUCOSIDASE

(Streptomyces
venezuelae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 132
ALA A 128
ALA A 188
ILE A 185
GLN A 186
 None
 0.98A 3id6C-4i3gA:
undetectable		 3id6C-4i3gA:
13.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iig BETA-GLUCOSIDASE 1

(Aspergillus
aculeatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 125
ALA A 121
ALA A 182
ILE A 179
GLN A 180
 None
 0.99A 3id6C-4iigA:
undetectable		 3id6C-4iigA:
13.70
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.
4jb6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 167
THR A 162
SER A 236
ALA A 351
ILE A 171
 None
 1.13A 3id6C-4jb6A:
undetectable		 3id6C-4jb6A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4otk MYCOBACTERIAL ENZYME
RV2971

(Mycobacterium
tuberculosis) 		PF00248
(Aldo_ket_red) 		5 GLY A  27
ALA A  29
ALA A  43
ASP A  52
ILE A  51
 None
MLI  A 302 (-3.7A)
None
None
None
 1.01A 3id6C-4otkA:
undetectable		 3id6C-4otkA:
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.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT B

(Vibrio cholerae) 		PF03116
(NQR2_RnfD_RnfE) 		5 GLY B 361
ALA B 359
SER B 351
ALA B 344
ILE B 364
 None
 1.16A 3id6C-4p6vB:
undetectable		 3id6C-4p6vB:
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.
4qdi UDP-N-ACETYLMURAMOYL
-TRIPEPTIDE--D-ALANY
L-D-ALANINE LIGASE

(Acinetobacter
baumannii) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 GLY A 369
THR A 342
PHE A 403
ALA A 404
GLN A 402
 None
 1.11A 3id6C-4qdiA:
undetectable		 3id6C-4qdiA:
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.
4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN

(Nitratireductor
pacificus) 		PF12838
(Fer4_7)
PF13486
(Dehalogenase) 		5 THR A 494
SER A 489
ASP A 366
ALA A 365
ILE A 432
 None
B12  A 803 (-3.1A)
None
None
None
 1.17A 3id6C-4rasA:
undetectable		 3id6C-4rasA:
17.05
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.
4rjw PORIN O

(Pseudomonas
aeruginosa) 		PF07396
(Porin_O_P) 		5 GLY A  33
GLU A  64
ASP A  80
ALA A  61
GLN A  36
 None
 1.08A 3id6C-4rjwA:
undetectable		 3id6C-4rjwA:
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.
4uer EIF3B

(Lachancea
kluyveri) 		PF00318
(Ribosomal_S2) 		5 TYR b 664
GLY b 663
SER b 655
ASP b 677
ILE b 678
 None
 1.02A 3id6C-4uerb:
undetectable		 3id6C-4uerb:
14.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 124
GLU A 147
ASP A 178
ALA A 179
ASP A 196
 MTA  A 401 (-3.5A)
MTA  A 401 (-2.7A)
MTA  A 401 (-3.2A)
MTA  A 401 (-3.6A)
4ZY  A 501 ( 3.6A)
 0.73A 3id6C-4uoeA:
10.0		 3id6C-4uoeA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4utt PUTATIVE
N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Clostridium
perfringens) 		PF04131
(NanE) 		5 GLY A 133
THR A 172
SER A 149
ASP A  97
ALA A  98
 None
 0.98A 3id6C-4uttA:
undetectable		 3id6C-4uttA:
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.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		5 GLY A  73
GLU A  98
SER A 100
ALA A 127
ASP A 144
 SAM  A1001 (-3.3A)
SAM  A1001 (-2.7A)
SAM  A1001 ( 4.8A)
SAM  A1001 (-3.4A)
SAM  A1001 (-3.6A)
 0.42A 3id6C-4ymgA:
12.2		 3id6C-4ymgA:
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.
4z9r OMEGA-3
POLYUNSATURATED
FATTY ACID SYNTHASE
SUBUNIT PFAD

(Shewanella
oneidensis) 		PF03060
(NMO) 		5 TYR A 105
GLY A 107
THR A 269
SER A 336
ALA A 114
 None
FMN  A 602 (-3.2A)
None
FMN  A 602 (-2.7A)
None
 1.20A 3id6C-4z9rA:
undetectable		 3id6C-4z9rA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A

(Homo sapiens) 		PF08704
(GCD14) 		5 GLY A 111
GLU A 135
ASP A 163
ASP A 181
ILE A 182
 SAH  A 301 (-3.2A)
SAH  A 301 (-2.2A)
SAH  A 301 (-2.7A)
SAH  A 301 (-2.4A)
SAH  A 301 ( 3.8A)
 0.47A 3id6C-5ccxA:
15.4		 3id6C-5ccxA:
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.
5erg TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61

(Saccharomyces
cerevisiae) 		PF08704
(GCD14) 		5 GLY B 118
GLU B 139
PHE B 140
ASP B 168
ASP B 203
 SAM  B 401 (-3.4A)
SAM  B 401 (-2.9A)
SAM  B 401 (-4.8A)
SAM  B 401 (-3.5A)
SAM  B 401 (-3.3A)
 0.72A 3id6C-5ergB:
13.8		 3id6C-5ergB:
22.19
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.
5fji BETA-GLUCOSIDASE

(Aspergillus
fumigatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 126
ALA A 122
ALA A 183
ILE A 180
GLN A 181
 None
 1.00A 3id6C-5fjiA:
undetectable		 3id6C-5fjiA:
15.70
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.
5fjj BETA-GLUCOSIDASE

(Aspergillus
oryzae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 126
ALA A 122
ALA A 183
ILE A 180
GLN A 181
 None
 1.01A 3id6C-5fjjA:
undetectable		 3id6C-5fjjA:
14.78
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.
5fn4 NICASTRIN

(Homo sapiens) 		PF05450
(Nicastrin) 		5 GLY A 332
THR A 564
GLU A 333
SER A 426
ILE A 338
 None
 1.20A 3id6C-5fn4A:
undetectable		 3id6C-5fn4A:
15.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT

(Escherichia
coli) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY C 357
ALA C 355
THR C 182
PHE C 439
GLN C 321
 None
 1.11A 3id6C-5g5gC:
undetectable		 3id6C-5g5gC:
15.32
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) 		11 TYR E  82
GLY E  84
ALA E  86
THR E  90
GLU E 108
SER E 110
ASP E 133
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)
SAH  E 301 (-3.0A)
A  G  24 ( 2.5A)
SAH  E 301 (-3.5A)
SAH  E 301 (-3.6A)
SAH  E 301 (-3.7A)
SAH  E 301 ( 4.4A)
SAH  E 301 (-3.8A)
 0.55A 3id6C-5ginE:
36.5		 3id6C-5ginE:
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.
5gm2 O-METHYLRANSFERASE

(Streptomyces
blastmyceticus) 		PF08241
(Methyltransf_11) 		5 GLY A  85
THR A  91
SER A 109
ASP A 135
ALA A 136
 SAH  A 301 (-3.2A)
SAH  A 301 (-4.2A)
None
SAH  A 301 (-3.6A)
SAH  A 301 (-3.4A)
 0.56A 3id6C-5gm2A:
12.5		 3id6C-5gm2A:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hvm ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Aspergillus
fumigatus) 		PF00982
(Glyco_transf_20) 		5 TYR A 373
ALA A 392
SER A 421
ALA A 378
ILE A 380
 None
 1.15A 3id6C-5hvmA:
2.5		 3id6C-5hvmA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ju6 BETA-GLUCOSIDASE

(Rasamsonia
emersonii) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 125
ALA A 121
ALA A 182
ILE A 179
GLN A 180
 None
 0.99A 3id6C-5ju6A:
undetectable		 3id6C-5ju6A:
14.49
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.
5k1c UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 12
WD REPEAT-CONTAINING
PROTEIN 20

(Homo sapiens;
Homo sapiens) 		PF00443
(UCH)
PF00400
(WD40) 		5 GLY C 263
THR A 213
GLU A 283
ASP C 241
ASP C 283
 None
 1.11A 3id6C-5k1cC:
undetectable		 3id6C-5k1cC:
19.60
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.
5kjv HYDROXYCINNAMOYL
TRANSFERASE

(Plectranthus
scutellarioides) 		PF02458
(Transferase) 		5 GLY A  72
ALA A  88
ALA A 155
ASP A  85
ILE A  84
 None
 1.10A 3id6C-5kjvA:
undetectable		 3id6C-5kjvA:
18.18
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.
5log PUTATIVE
O-METHYLTRANSFERASE

(Myxococcus
xanthus) 		PF01596
(Methyltransf_3) 		5 GLY A  67
SER A  93
ASP A 119
ALA A 120
ASP A 142
 SAH  A1001 (-3.5A)
None
SAH  A1001 (-3.8A)
SAH  A1001 (-3.4A)
MG  A1002 (-2.5A)
 0.72A 3id6C-5logA:
13.5		 3id6C-5logA:
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.
5t13 CYANURIC ACID
AMIDOHYDROLASE

(Enterobacter
cloacae) 		PF09663
(Amido_AtzD_TrzD) 		5 TYR A 193
GLY A 192
GLU A 353
SER A 352
ALA A 234
 None
None
None
MG  A 403 (-2.9A)
None
 1.13A 3id6C-5t13A:
undetectable		 3id6C-5t13A:
22.34
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.
5veh KYNURENINE
AMINOTRANSFERASE

(Aedes aegypti) 		no annotation 5 GLY A 109
ALA A 113
GLU A 112
ILE A 264
GLN A 293
 LLP  A 255 ( 3.2A)
None
None
None
None
 0.99A 3id6C-5vehA:
undetectable		 3id6C-5vehA:
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.
5x6x MRNA CAPPING ENZYME
P5

(Rice dwarf
virus) 		no annotation 5 GLY C 210
GLU C 230
SER C 232
ASP C 471
ALA C 472
 None
 0.92A 3id6C-5x6xC:
7.4		 3id6C-5x6xC:
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 6 GLY A  62
ALA A  64
GLU A  85
ASP A 113
ALA A 114
ASP A 133
 SAM  A 302 (-3.4A)
SAM  A 302 (-3.6A)
SAM  A 302 (-2.7A)
SAM  A 302 (-3.3A)
SAM  A 302 (-3.7A)
SAM  A 302 (-3.6A)
 0.46A 3id6C-5zw4A:
14.5		 3id6C-5zw4A:
26.32