SIMILAR PATTERNS OF AMINO ACIDS FOR 3UA1_A_08YA600

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.
1a6g MYOGLOBIN

(Physeter
catodon) 		PF00042
(Globin) 		5 ASP A  20
ARG A  31
ARG A 118
ILE A 112
THR A  39
 None
None
None
None
HEM  A 154 (-4.1A)
 1.11A 3ua1A-1a6gA:
0.6		 3ua1A-1a6gA:
15.18
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.
1aw1 TRIOSEPHOSPHATE
ISOMERASE

(Moritella
marina) 		PF00121
(TIM) 		5 ILE A  61
THR A 124
PHE A 244
ALA A 245
ALA A 251
 None
 1.19A 3ua1A-1aw1A:
undetectable		 3ua1A-1aw1A:
20.33
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.
1ej6 LAMBDA1

(Reovirus sp.) 		no annotation 5 ASP B 921
ARG B 521
ILE B 532
ALA B 596
ALA B 823
 None
 1.35A 3ua1A-1ej6B:
undetectable		 3ua1A-1ej6B:
16.60
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.
1fno PEPTIDASE T

(Salmonella
enterica) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ASP A 183
ILE A 148
ALA A 401
THR A 404
ALA A  72
 None
 1.33A 3ua1A-1fnoA:
undetectable		 3ua1A-1fnoA:
22.43
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.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		5 ARG A 133
ILE A 120
THR A 407
ALA A 127
THR A 304
 None
None
None
None
HEM  A 800 (-3.4A)
 1.29A 3ua1A-1itkA:
0.0		 3ua1A-1itkA:
19.81
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.
1k0g P-AMINOBENZOATE
SYNTHASE COMPONENT I

(Escherichia
coli) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 PHE A 118
SER A 406
ILE A 394
THR A  59
ALA A 361
 None
TRP  A 601 ( 4.1A)
None
None
None
 1.15A 3ua1A-1k0gA:
0.0		 3ua1A-1k0gA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 ARG A 501
THR A 499
PHE A 505
ALA A 667
ALA A 685
 None
 1.37A 3ua1A-1rw9A:
undetectable		 3ua1A-1rw9A:
19.71
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.
1t1u CHOLINE
O-ACETYLTRANSFERASE

(Rattus
norvegicus) 		PF00755
(Carn_acyltransf) 		5 PHE A 599
ILE A 416
PHE A 583
THR A 549
ALA A 605
 None
 1.30A 3ua1A-1t1uA:
undetectable		 3ua1A-1t1uA:
22.82
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.
1vrm HYPOTHETICAL PROTEIN
TM1553

(Thermotoga
maritima) 		PF02424
(ApbE) 		5 PHE A 346
ILE A 277
ALA A 304
THR A 301
ALA A 329
 None
UNL  A   4 ( 4.0A)
None
None
None
 1.26A 3ua1A-1vrmA:
0.0		 3ua1A-1vrmA:
20.49
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.
1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ

(Bacillus
subtilis) 		PF12697
(Abhydrolase_6) 		5 ARG A 179
SER A  96
PHE A 180
PHE A 196
ALA A 195
 PGO  A 604 (-4.5A)
PGO  A 601 (-2.5A)
None
None
None
 1.33A 3ua1A-1womA:
0.0		 3ua1A-1womA:
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.
2a00 POTASSIUM-TRANSPORTI
NG ATPASE B CHAIN

(Escherichia
coli) 		no annotation 5 ARG A 394
ILE A 401
THR A 332
THR A 346
ALA A 343
 None
None
None
ANP  A1001 ( 4.5A)
None
 1.29A 3ua1A-2a00A:
undetectable		 3ua1A-2a00A:
14.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bvg 6-HYDROXY-D-NICOTINE
OXIDASE

(Paenarthrobacter
nicotinovorans) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ARG A 291
SER A 287
ILE A 288
PHE A 146
ALA A 298
 None
 1.31A 3ua1A-2bvgA:
undetectable		 3ua1A-2bvgA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bwp 5-AMINOLEVULINATE
SYNTHASE

(Rhodobacter
capsulatus) 		PF00155
(Aminotran_1_2) 		5 ASP A 163
ARG A 157
ILE A 135
ALA A 178
ALA A 173
 None
 0.98A 3ua1A-2bwpA:
0.0		 3ua1A-2bwpA:
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.
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 ASP A 294
SER A 284
ILE A 315
ALA A 348
ALA A 334
 None
 1.27A 3ua1A-2dwsA:
undetectable		 3ua1A-2dwsA:
22.68
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.
2g0b FEEM

(uncultured
bacterium) 		no annotation 5 ILE A 141
THR A  61
PHE A 154
ALA A 174
ALA A  93
 NLT  A 400 (-4.9A)
None
NLT  A 400 (-4.7A)
None
None
 1.37A 3ua1A-2g0bA:
undetectable		 3ua1A-2g0bA:
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		5 ARG A 794
SER A 766
ILE A 768
THR A 577
ALA A 801
 None
 1.21A 3ua1A-2gahA:
undetectable		 3ua1A-2gahA:
18.49
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.
2gfi PHYTASE

(Debaryomyces
castellii) 		PF00328
(His_Phos_2) 		5 ARG A 148
ILE A 329
THR A  56
PHE A 178
ALA A 179
 None
 1.30A 3ua1A-2gfiA:
undetectable		 3ua1A-2gfiA:
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.
2j9i GLUTAMATE-AMMONIA
LIGASE
DOMAIN-CONTAINING
PROTEIN 1

(Mus musculus) 		PF00120
(Gln-synt_C) 		5 ARG A 210
ILE A 182
ALA A  77
THR A  84
ALA A  81
 None
 1.19A 3ua1A-2j9iA:
undetectable		 3ua1A-2j9iA:
16.06
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.
2p4s PURINE NUCLEOSIDE
PHOSPHORYLASE

(Anopheles
gambiae) 		PF01048
(PNP_UDP_1) 		5 ILE A 138
PHE A 170
THR A 145
THR A 312
ALA A 179
 None
 1.30A 3ua1A-2p4sA:
undetectable		 3ua1A-2p4sA:
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.
2p5u UDP-GLUCOSE
4-EPIMERASE

(Thermus
thermophilus) 		PF01370
(Epimerase) 		5 ASP A  51
ARG A  53
ALA A 144
THR A 117
ALA A  77
 NAD  A1118 (-3.0A)
None
None
NAD  A1118 ( 4.7A)
NAD  A1118 (-3.4A)
 1.32A 3ua1A-2p5uA:
undetectable		 3ua1A-2p5uA:
19.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pg6 CYTOCHROME P450 2A6

(Homo sapiens) 		PF00067
(p450) 		5 PHE A 440
ILE A 208
THR A 294
PHE A 480
ALA A 481
 HEM  A 500 (-3.9A)
None
None
None
None
 1.23A 3ua1A-2pg6A:
35.9		 3ua1A-2pg6A:
30.04
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.
2qp2 UNKNOWN PROTEIN

(Photorhabdus
laumondii) 		PF01823
(MACPF) 		5 PHE A 237
ILE A 118
PHE A 139
THR A 218
ALA A 233
 None
 1.36A 3ua1A-2qp2A:
undetectable		 3ua1A-2qp2A:
23.06
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.
2r26 CITRATE SYNTHASE

(Thermoplasma
acidophilum) 		PF00285
(Citrate_synt) 		5 ASP A 317
ILE A 327
THR A 316
PHE A 160
ALA A  95
 CMC  A 701 (-2.7A)
None
OAA  A 501 ( 4.9A)
None
None
 1.30A 3ua1A-2r26A:
undetectable		 3ua1A-2r26A:
22.80
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.
2xhz ARABINOSE
5-PHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF01380
(SIS) 		5 PHE A  79
ILE A 129
ALA A 175
THR A  74
ALA A  69
 None
 1.29A 3ua1A-2xhzA:
undetectable		 3ua1A-2xhzA:
16.08
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.
2yev CYTOCHROME C OXIDASE
POLYPEPTIDE I+III

(Thermus
thermophilus) 		PF00115
(COX1)
PF00510
(COX3) 		5 PHE A 624
PHE A 165
THR A 213
PHE A 589
ALA A 590
 5PL  A 900 (-3.7A)
5PL  A 900 (-4.1A)
None
None
5PL  A 900 ( 3.9A)
 1.21A 3ua1A-2yevA:
0.0		 3ua1A-2yevA:
21.71
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.
2yy7 L-THREONINE
DEHYDROGENASE

(Flavobacterium
frigidimaris) 		PF01370
(Epimerase) 		5 ASP A 186
ILE A 220
THR A 185
PHE A 114
ALA A  76
 None
None
GOL  A1001 (-3.2A)
None
NAD  A3001 (-3.5A)
 1.30A 3ua1A-2yy7A:
undetectable		 3ua1A-2yy7A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128) 		no annotation 5 PHE A 109
ARG A  32
SER A  17
ILE A  16
ALA A  86
 None
 1.18A 3ua1A-3a0fA:
undetectable		 3ua1A-3a0fA:
21.62
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.
3a5v ALPHA-GALACTOSIDASE

(Umbelopsis
vinacea) 		PF16499
(Melibiase_2) 		5 ASP A 189
ARG A 185
SER A 181
PHE A 176
ALA A  96
 None
 1.00A 3ua1A-3a5vA:
undetectable		 3ua1A-3a5vA:
21.58
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.
3akk CTKA

(Helicobacter
pylori) 		PF07804
(HipA_C) 		5 PHE A 140
ARG A 156
ILE A 223
PHE A 141
ALA A 240
 None
 1.35A 3ua1A-3akkA:
undetectable		 3ua1A-3akkA:
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.
3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT

(Hydrogenovibrio
marinus) 		PF00374
(NiFeSe_Hases) 		5 ASP A 451
ARG A 437
PHE A 458
ALA A 470
ALA A 283
 None
 1.35A 3ua1A-3ayxA:
undetectable		 3ua1A-3ayxA:
20.92
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.
3d6k PUTATIVE
AMINOTRANSFERASE

(Corynebacterium
diphtheriae) 		PF12897
(Aminotran_MocR) 		5 ASP A 118
ARG A 212
PHE A 211
THR A 197
ALA A 202
 CL  A 421 ( 4.2A)
None
None
None
None
 1.31A 3ua1A-3d6kA:
undetectable		 3ua1A-3d6kA:
23.06
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.
3e8p UNCHARACTERIZED
PROTEIN

(Shewanella
oneidensis) 		PF03061
(4HBT) 		5 ARG A 104
ILE A  98
PHE A  86
THR A 107
ALA A  91
 None
 1.33A 3ua1A-3e8pA:
undetectable		 3ua1A-3e8pA:
15.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eb0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		5 ARG A 152
SER A 144
ILE A 145
PHE A 354
ALA A 321
 None
 1.25A 3ua1A-3eb0A:
undetectable		 3ua1A-3eb0A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ffr PHOSPHOSERINE
AMINOTRANSFERASE
SERC

(Cytophaga
hutchinsonii) 		PF00266
(Aminotran_5) 		5 ILE A 316
PHE A 287
ALA A 323
THR A   8
ALA A 326
 P33  A 368 ( 4.6A)
None
None
None
None
 0.91A 3ua1A-3ffrA:
undetectable		 3ua1A-3ffrA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gi8 UNCHARACTERIZED
PROTEIN MJ0609

(Methanocaldococcus
jannaschii) 		PF13520
(AA_permease_2) 		5 ILE C 278
THR C 128
PHE C 273
ALA C 264
ALA C 259
 None
 1.23A 3ua1A-3gi8C:
undetectable		 3ua1A-3gi8C:
20.63
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.
3gwb PEPTIDASE M16
INACTIVE DOMAIN
FAMILY PROTEIN

(Pseudomonas
protegens) 		PF05193
(Peptidase_M16_C) 		5 PHE A  79
ARG A  39
PHE A 115
PHE A  42
ALA A  95
 None
 1.36A 3ua1A-3gwbA:
undetectable		 3ua1A-3gwbA:
23.17
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.
3h7u ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		5 PHE A 160
ILE A  51
THR A 139
PHE A 295
THR A 292
 None
 1.33A 3ua1A-3h7uA:
undetectable		 3ua1A-3h7uA:
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.
3hrd NICOTINATE
DEHYDROGENASE
FAD-SUBUNIT

(Eubacterium
barkeri) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 ARG C 106
SER C  98
THR C 117
PHE C 185
ALA C 195
 None
None
FAD  C 900 (-4.4A)
None
None
 1.30A 3ua1A-3hrdC:
undetectable		 3ua1A-3hrdC:
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.
3hrd NICOTINATE
DEHYDROGENASE
FAD-SUBUNIT

(Eubacterium
barkeri) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 ASP C  35
ARG C 106
SER C  98
PHE C 185
ALA C 195
 FAD  C 900 (-3.0A)
None
None
None
None
 1.37A 3ua1A-3hrdC:
undetectable		 3ua1A-3hrdC:
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.
3igx TRANSALDOLASE

(Francisella
tularensis) 		PF00923
(TAL_FSA) 		5 ASP A 101
PHE A 306
THR A 310
PHE A 181
ALA A 138
 None
 1.29A 3ua1A-3igxA:
undetectable		 3ua1A-3igxA:
21.58
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.
3l0o TRANSCRIPTION
TERMINATION FACTOR
RHO

(Thermotoga
maritima) 		PF00006
(ATP-synt_ab)
PF07497
(Rho_RNA_bind)
PF07498
(Rho_N) 		5 ARG A 208
ILE A 172
THR A 227
ALA A 308
ALA A 254
 None
 1.21A 3ua1A-3l0oA:
undetectable		 3ua1A-3l0oA:
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.
3m8y PHOSPHOPENTOMUTASE

(Bacillus cereus) 		PF01676
(Metalloenzyme) 		5 PHE A 313
ILE A  34
PHE A 285
ALA A 301
ALA A 307
 None
 1.20A 3ua1A-3m8yA:
1.9		 3ua1A-3m8yA:
22.24
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.
3mwe ATP-CITRATE SYNTHASE

(Homo sapiens) 		PF16114
(Citrate_bind) 		5 ARG A 378
ILE A 414
PHE A 354
ALA A 284
ALA A 345
 None
None
None
None
TLA  A 427 (-3.6A)
 1.36A 3ua1A-3mweA:
undetectable		 3ua1A-3mweA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pg5 UNCHARACTERIZED
PROTEIN

(Corynebacterium
diphtheriae) 		PF13614
(AAA_31) 		5 SER A 284
ILE A 281
THR A   3
ALA A 202
ALA A 208
 None
 1.37A 3ua1A-3pg5A:
undetectable		 3ua1A-3pg5A:
20.41
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.
3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS

(Aspergillus
oryzae) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 SER A 133
ILE A 156
THR A  90
ALA A 563
ALA A 544
 None
 1.33A 3ua1A-3q9tA:
undetectable		 3ua1A-3q9tA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qka ENOYL-COA HYDRATASE,
ECHA5

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		5 ASP A  45
ARG A   9
ILE A  17
ALA A  99
ALA A 192
 None
 1.37A 3ua1A-3qkaA:
undetectable		 3ua1A-3qkaA:
18.02
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.
3slk POLYKETIDE SYNTHASE
EXTENDER MODULE 2

(Saccharopolyspora
spinosa) 		PF08240
(ADH_N)
PF08659
(KR)
PF13602
(ADH_zinc_N_2) 		5 ILE A 307
PHE A 279
THR A 501
ALA A 245
ALA A 237
 None
 1.35A 3ua1A-3slkA:
undetectable		 3ua1A-3slkA:
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.
3swg UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Aquifex
aeolicus) 		PF00275
(EPSP_synthase) 		5 PHE A  13
ASP A 402
ALA A 249
THR A 252
ALA A 417
 None
 1.29A 3ua1A-3swgA:
undetectable		 3ua1A-3swgA:
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.
3tbf GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING]

(Francisella
tularensis) 		PF01380
(SIS) 		5 SER A 272
ILE A 278
PHE A 291
ALA A 413
ALA A 390
 None
 1.34A 3ua1A-3tbfA:
undetectable		 3ua1A-3tbfA:
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.
3voh CELLOBIOHYDROLASE

(Coprinopsis
cinerea) 		PF01341
(Glyco_hydro_6) 		5 ASP A 200
SER A 249
THR A 141
ALA A 238
ALA A 244
 None
 1.35A 3ua1A-3vohA:
undetectable		 3ua1A-3vohA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wrv TM-1 PROTEIN

(Solanum
lycopersicum) 		PF06792
(UPF0261) 		5 ASP A  18
SER A 132
ILE A 146
THR A  19
ALA A  97
 None
 1.36A 3ua1A-3wrvA:
undetectable		 3ua1A-3wrvA:
18.79
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.
3wry TM-1 PROTEIN

(Solanum
lycopersicum) 		PF06792
(UPF0261) 		5 ASP A  18
SER A 132
ILE A 146
THR A  19
ALA A  97
 AGS  A 501 (-2.6A)
None
None
AGS  A 501 (-3.2A)
None
 1.29A 3ua1A-3wryA:
undetectable		 3ua1A-3wryA:
23.26
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.
4ad8 DNA REPAIR PROTEIN
RECN

(Deinococcus
radiodurans) 		PF02463
(SMC_N) 		5 ARG A 510
ILE A 483
THR A  60
THR A 459
ALA A 493
 None
 1.30A 3ua1A-4ad8A:
undetectable		 3ua1A-4ad8A:
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.
4b18 IMPORTIN SUBUNIT
ALPHA-1

(Homo sapiens) 		PF00514
(Arm)
PF16186
(Arm_3) 		5 ARG A 397
ARG A 395
ALA A 443
THR A 405
ALA A 400
 None
 1.25A 3ua1A-4b18A:
undetectable		 3ua1A-4b18A:
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 ARG B2975
SER B2968
ILE B2969
ALA B3133
ALA B3127
 None
 1.18A 3ua1A-4bedB:
undetectable		 3ua1A-4bedB:
14.52
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.
4dnh UNCHARACTERIZED
PROTEIN

(Sinorhizobium
meliloti) 		PF06187
(DUF993) 		5 ASP A 228
ARG A 153
ILE A 101
ALA A  86
ALA A  40
 None
 1.09A 3ua1A-4dnhA:
undetectable		 3ua1A-4dnhA:
21.07
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.
4eag EG:132E8.2 PROTEIN

(Drosophila
melanogaster) 		PF16579
(AdenylateSensor) 		5 PHE A 569
ILE A 473
PHE A 527
ALA A 581
ALA A 575
 None
 1.35A 3ua1A-4eagA:
undetectable		 3ua1A-4eagA:
15.29
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.
4grx AMINOTRANSFERASE

(Paracoccus
denitrificans) 		PF00202
(Aminotran_3) 		5 ARG A 366
PHE A 393
THR A 391
ALA A 444
ALA A 450
 None
 1.26A 3ua1A-4grxA:
undetectable		 3ua1A-4grxA:
22.85
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.
4h4c 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE

(Escherichia
coli) 		PF02401
(LYTB) 		5 ARG A  52
ILE A  19
PHE A  56
ALA A  25
ALA A  31
 None
 1.35A 3ua1A-4h4cA:
undetectable		 3ua1A-4h4cA:
21.88
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.
4hjh PHOSPHOMANNOMUTASE

(Brucella
melitensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 ASP A 123
ILE A  99
PHE A   8
ALA A  27
ALA A 133
 None
 1.36A 3ua1A-4hjhA:
undetectable		 3ua1A-4hjhA:
23.98
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.
4htl BETA-GLUCOSIDE
KINASE

(Listeria
monocytogenes) 		PF00480
(ROK) 		5 ASP A 119
PHE A 123
ALA A 104
THR A 127
ALA A 271
 None
 1.36A 3ua1A-4htlA:
undetectable		 3ua1A-4htlA:
21.70
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.
4i8i HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF16227
(DUF4886) 		5 PHE A  41
ASP A 223
ILE A 216
ALA A 271
ALA A  45
 ACT  A 300 (-3.7A)
None
None
None
None
 1.29A 3ua1A-4i8iA:
undetectable		 3ua1A-4i8iA:
20.29
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.
4iq4 NON-HAEM
BROMOPEROXIDASE
BPO-A2, MATRIX
PROTEIN 1

(Influenza A
virus;
Kitasatospora
aureofaciens) 		PF00561
(Abhydrolase_1)
PF00598
(Flu_M1) 		5 PHE A  97
ARG A 177
THR A 230
THR A 269
ALA A 264
 None
 1.33A 3ua1A-4iq4A:
undetectable		 3ua1A-4iq4A:
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.
4iuw NEUTRAL
ENDOPEPTIDASE

(Lactobacillus
rhamnosus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 ASP A  39
ARG A  42
THR A  38
ALA A 290
ALA A 303
 None
None
None
None
CO3  A 713 ( 4.9A)
 1.30A 3ua1A-4iuwA:
undetectable		 3ua1A-4iuwA:
19.75
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.
4joc LYSOPHOSPHATIDIC
ACID PHOSPHATASE
TYPE 6

(Homo sapiens) 		PF00328
(His_Phos_2) 		5 ASP A 293
ARG A 218
SER A 223
ILE A 228
PHE A 250
 None
 1.05A 3ua1A-4jocA:
undetectable		 3ua1A-4jocA:
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.
4nx8 PROTEIN-TYROSINE
PHOSPHATASE 2

(Bdellovibrio
bacteriovorus) 		PF14566
(PTPlike_phytase) 		5 ASP A 244
ARG A 207
THR A 214
ALA A 122
THR A  43
 None
 1.30A 3ua1A-4nx8A:
undetectable		 3ua1A-4nx8A:
21.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ny4 CYTOCHROME P450 3A4

(Homo sapiens) 		PF00067
(p450) 		11 PHE A  57
ASP A  76
ARG A 105
ARG A 106
SER A 119
ILE A 120
PHE A 215
THR A 224
ALA A 305
THR A 309
ALA A 370
 None
None
HEM  A 601 ( 2.8A)
None
2QH  A 602 (-3.9A)
None
2QH  A 602 (-3.9A)
None
2QH  A 602 ( 3.6A)
2QH  A 602 ( 3.7A)
2QH  A 602 ( 3.1A)
 0.48A 3ua1A-4ny4A:
58.4		 3ua1A-4ny4A:
99.59
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.
4oyd APOPTOSIS REGULATOR
BHRF1
COMPUTATIONALLY
DESIGNED INHIBITOR

(Human
gammaherpesvirus
4;
synthetic
construct) 		PF00452
(Bcl-2)
no annotation 		5 PHE A  87
ILE A  57
THR A   5
ALA B  56
ALA B  51
 None
 1.23A 3ua1A-4oydA:
undetectable		 3ua1A-4oydA:
18.43
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.
4q7a N-ACETYL-ORNITHINE/N
-ACETYL-LYSINE
DEACETYLASE

(Sphaerobacter
thermophilus) 		PF01546
(Peptidase_M20) 		5 ARG A 240
SER A 246
ALA A 252
THR A 255
ALA A 265
 None
 1.30A 3ua1A-4q7aA:
undetectable		 3ua1A-4q7aA:
19.37
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.
4q85 RIBOSOMAL PROTEIN
S12
METHYLTHIOTRANSFERAS
E ACCESSORY FACTOR
YCAO

(Escherichia
coli) 		PF02624
(YcaO) 		5 PHE A 263
ILE A 214
PHE A 274
THR A 287
ALA A 246
 None
 1.32A 3ua1A-4q85A:
undetectable		 3ua1A-4q85A:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qsl PYRUVATE CARBOXYLASE

(Listeria
monocytogenes) 		no annotation 5 ASP H 763
ILE H 556
THR H 535
ALA H 584
ALA H 579
 None
 1.32A 3ua1A-4qslH:
undetectable		 3ua1A-4qslH:
18.34
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.
4rev DISEASE RESISTANCE
RESPONSE PROTEIN 206

(Pisum sativum) 		PF03018
(Dirigent) 		5 ASP A 164
ARG A 141
PHE A  38
ALA A 131
ALA A 159
 None
 1.34A 3ua1A-4revA:
undetectable		 3ua1A-4revA:
15.22
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.
4rg1 C9ORF114

(Homo sapiens) 		PF02598
(Methyltrn_RNA_3) 		5 ILE A 100
PHE A 311
ALA A 356
THR A 342
ALA A 362
 None
SAH  A 401 (-4.9A)
SAH  A 401 (-3.4A)
SAH  A 401 (-3.5A)
None
 1.06A 3ua1A-4rg1A:
undetectable		 3ua1A-4rg1A:
21.79
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.
4rhh BETA-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF03512
(Glyco_hydro_52) 		5 ASP A 349
ARG A 693
SER A 686
THR A 696
ALA A 682
 None
TRS  A 803 (-3.4A)
None
None
None
 1.34A 3ua1A-4rhhA:
undetectable		 3ua1A-4rhhA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rhh BETA-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF03512
(Glyco_hydro_52) 		5 ASP A 349
SER A 686
ILE A 685
THR A 696
ALA A 682
 None
 1.21A 3ua1A-4rhhA:
undetectable		 3ua1A-4rhhA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rk9 CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN MSME

(Bacillus
licheniformis) 		PF01547
(SBP_bac_1) 		5 ILE A  67
PHE A 137
THR A 342
ALA A 322
ALA A 134
 None
 1.21A 3ua1A-4rk9A:
undetectable		 3ua1A-4rk9A:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s17 GLUTAMINE SYNTHETASE

(Bifidobacterium
adolescentis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 ASP A  75
ARG A 110
THR A  78
ALA A 383
ALA A 116
 None
 1.26A 3ua1A-4s17A:
undetectable		 3ua1A-4s17A:
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.
4wbq QDE-2-INTERACTING
PROTEIN

(Neurospora
crassa) 		no annotation 5 ASP A 510
ILE A 426
PHE A 445
THR A 514
ALA A 463
 CA  A 601 ( 4.9A)
None
None
None
None
 1.27A 3ua1A-4wbqA:
undetectable		 3ua1A-4wbqA:
18.43
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.
4x2r 1-(5-PHOSPHORIBOSYL)
-5-[(5-PHOSPHORIBOSY
LAMINO)METHYLIDENEAM
INO]
IMIDAZOLE-4-CARBOXAM
IDE ISOMERASE

(Actinomyces
urogenitalis) 		PF00977
(His_biosynth) 		5 ASP A   9
ARG A  17
SER A 199
THR A 177
ALA A 193
 PO4  A 303 (-2.6A)
PO4  A 303 ( 3.6A)
None
None
None
 1.25A 3ua1A-4x2rA:
undetectable		 3ua1A-4x2rA:
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.
4z42 UREASE SUBUNIT ALPHA

(Yersinia
enterocolitica) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ASP C 263
ILE C 539
THR C 264
ALA C 547
THR C 545
 None
 1.13A 3ua1A-4z42C:
undetectable		 3ua1A-4z42C:
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.
4zhs ASPARTATE
SEMIALDEHYDE
DEHYDROGENASE

(Trichophyton
rubrum) 		no annotation 5 PHE D 104
ASP D  79
ARG D  70
SER D  40
ALA D  91
 None
 1.28A 3ua1A-4zhsD:
undetectable		 3ua1A-4zhsD:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		5 ASP A 902
ILE A1278
THR A 905
ALA A1252
THR A1254
 None
 1.30A 3ua1A-5a22A:
1.3		 3ua1A-5a22A:
13.03
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.
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		5 PHE A 741
THR A 731
PHE A 324
ALA A 558
ALA A 552
 None
 1.37A 3ua1A-5bs5A:
undetectable		 3ua1A-5bs5A:
22.56
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.
5d2j 4-OXALOCROTONATE
DECARBOXYLASE NAHK

(Pseudomonas
putida) 		no annotation 5 ASP A  99
ARG A 147
SER A 164
ILE A 144
PHE A 151
 None
None
0L1  A 303 (-2.6A)
0L1  A 303 ( 4.6A)
None
 1.37A 3ua1A-5d2jA:
undetectable		 3ua1A-5d2jA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g56 CARBOHYDRATE BINDING
FAMILY 6

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase)
PF03422
(CBM_6) 		5 ASP A 607
ARG A 531
ILE A 623
THR A 605
ALA A 653
 None
 1.26A 3ua1A-5g56A:
undetectable		 3ua1A-5g56A:
18.78
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.
5h8k N-CARBAMOYLPUTRESCIN
E AMIDOHYDROLASE

(Medicago
truncatula) 		PF00795
(CN_hydrolase) 		5 ASP A 110
ILE A 157
PHE A 146
ALA A 166
ALA A 175
 None
 1.13A 3ua1A-5h8kA:
undetectable		 3ua1A-5h8kA:
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.
5ik2 ATP SYNTHASE SUBUNIT
ALPHA

(Caldalkalibacillus
thermarum) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 ASP A 385
SER A 364
ILE A 157
THR A 416
ALA A 370
 None
 1.05A 3ua1A-5ik2A:
undetectable		 3ua1A-5ik2A:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kgn 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Caenorhabditis
elegans) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 ASP A 178
ARG A 210
THR A 179
ALA A 205
ALA A 138
 GOL  A 602 (-2.9A)
GOL  A 602 (-3.1A)
None
None
None
 1.27A 3ua1A-5kgnA:
undetectable		 3ua1A-5kgnA:
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.
5mh5 D-2-HYDROXYACID
DEHYDROGENASE

(Haloferax
mediterranei) 		no annotation 5 PHE A 131
ASP A 218
ARG A 216
ALA A 155
ALA A 134
 None
None
None
None
MG  A 404 (-4.7A)
 1.35A 3ua1A-5mh5A:
undetectable		 3ua1A-5mh5A:
10.56
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.
5mqp GLYCOSIDE HYDROLASE
BT_1002

(Bacteroides
thetaiotaomicron) 		no annotation 5 PHE A 425
ASP A 397
ILE A 483
THR A 394
ALA A 525
 None
 1.36A 3ua1A-5mqpA:
undetectable		 3ua1A-5mqpA:
22.94
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.
5te1 ATP-CITRATE SYNTHASE

(Homo sapiens) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
PF16114
(Citrate_bind) 		5 ARG A 378
ILE A 414
PHE A 354
ALA A 284
ALA A 345
 None
None
None
None
7A2  A 901 (-3.6A)
 1.31A 3ua1A-5te1A:
undetectable		 3ua1A-5te1A:
21.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5veu CYTOCHROME P450 3A5

(Homo sapiens) 		no annotation 5 ARG A 105
ARG A 106
ALA A 305
THR A 309
ALA A 370
 HEM  A 601 (-2.8A)
RIT  A 602 ( 4.0A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.5A)
RIT  A 602 (-3.3A)
 0.92A 3ua1A-5veuA:
52.7		 3ua1A-5veuA:
83.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5veu CYTOCHROME P450 3A5

(Homo sapiens) 		no annotation 5 ARG A 105
SER A 119
ALA A 305
THR A 309
ALA A 370
 HEM  A 601 (-2.8A)
RIT  A 602 (-3.7A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.5A)
RIT  A 602 (-3.3A)
 0.89A 3ua1A-5veuA:
52.7		 3ua1A-5veuA:
83.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5veu CYTOCHROME P450 3A5

(Homo sapiens) 		no annotation 5 ARG A 106
PHE A 304
ALA A 305
THR A 309
ALA A 370
 RIT  A 602 ( 4.0A)
RIT  A 602 (-3.7A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 3.5A)
RIT  A 602 (-3.3A)
 1.07A 3ua1A-5veuA:
52.7		 3ua1A-5veuA:
83.37
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.
5xb6 UNCHARACTERIZED
PROTEIN YCJY

(Escherichia
coli) 		no annotation 5 ASP A  98
ARG A 131
ARG A 132
THR A 101
THR A 245
 None
 1.31A 3ua1A-5xb6A:
undetectable		 3ua1A-5xb6A:
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.
5y1g NAD DEPENDENT
EPIMERASE/DEHYDRATAS
E FAMILY

(uncultured
archaeon
MedDCM-OCT-S05-C57) 		no annotation 5 ARG A 203
ILE A 275
ALA A 113
THR A 134
ALA A 268
 None
None
AKB  A 401 ( 4.4A)
None
None
 1.35A 3ua1A-5y1gA:
undetectable		 3ua1A-5y1gA:
20.83
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.
5y1g NAD DEPENDENT
EPIMERASE/DEHYDRATAS
E FAMILY

(uncultured
archaeon
MedDCM-OCT-S05-C57) 		no annotation 5 ASP A 179
ILE A 213
THR A 178
PHE A 107
ALA A  70
 None
None
AKB  A 401 (-3.3A)
None
NAD  A 402 (-3.7A)
 1.32A 3ua1A-5y1gA:
undetectable		 3ua1A-5y1gA:
20.83
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.
5yhj CYTOCHROME P450

(Exiguobacterium
sp. AT1b) 		no annotation 5 ASP A 320
ARG A  29
THR A 317
PHE A 304
ALA A 303
 None
 1.12A 3ua1A-5yhjA:
23.4		 3ua1A-5yhjA:
12.71
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.
5yly NITRATE REDUCTASE

(Ulva prolifera) 		no annotation 5 SER A 616
ILE A 615
THR A 662
ALA A 775
THR A 773
 None
None
FAD  A1001 (-4.6A)
None
None
 1.18A 3ua1A-5ylyA:
undetectable		 3ua1A-5ylyA:
9.67
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.
6bsz METABOTROPIC
GLUTAMATE RECEPTOR 8

(Homo sapiens) 		no annotation 5 ASP A  45
ARG A 101
ILE A 102
THR A  97
ALA A  37
 None
SO4  A 603 ( 4.7A)
None
None
SO4  A 603 (-4.1A)
 1.33A 3ua1A-6bszA:
undetectable		 3ua1A-6bszA:
11.25