SIMILAR PATTERNS OF AMINO ACIDS FOR 3O1X_A_ADNA1450

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.
1ems NIT-FRAGILE
HISTIDINE TRIAD
FUSION PROTEIN

(Caenorhabditis
elegans) 		PF00795
(CN_hydrolase)
PF01230
(HIT) 		5 PHE A 301
ILE A 306
LEU A 333
HIS A 392
HIS A 394
 None
None
None
None
NA  A 459 (-3.9A)
 0.57A 3o1xA-1emsA:
10.9		 3o1xA-1emsA:
15.21
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.
1fhi FRAGILE HISTIDINE
TRIAD PROTEIN

(Homo sapiens) 		PF01230
(HIT) 		5 PHE A   5
ILE A  10
LEU A  37
HIS A  96
HIS A  98
 IB2  A 301 (-4.6A)
IB2  A 301 (-4.8A)
IB2  A 301 (-4.6A)
IB2  A 301 ( 3.9A)
IB2  A 301 ( 3.2A)
 0.56A 3o1xA-1fhiA:
10.5		 3o1xA-1fhiA:
20.36
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.
1gyc LACCASE 2

(Trametes
versicolor) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ILE A 380
PHE A 441
ILE A 382
LEU A 399
HIS A 402
 None
 1.16A 3o1xA-1gycA:
undetectable		 3o1xA-1gycA:
14.32
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.
1ipk BETA-CONGLYCININ,
BETA CHAIN

(Glycine max) 		PF00190
(Cupin_1)
PF07883
(Cupin_2) 		5 ILE A 319
PHE A 325
ILE A 283
LEU A 262
HIS A 265
 None
 1.11A 3o1xA-1ipkA:
undetectable		 3o1xA-1ipkA:
15.59
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.
1ipk BETA-CONGLYCININ,
BETA CHAIN

(Glycine max) 		PF00190
(Cupin_1)
PF07883
(Cupin_2) 		5 ILE A 319
PHE A 325
ILE A 283
SER A 252
LEU A 262
 None
 1.01A 3o1xA-1ipkA:
undetectable		 3o1xA-1ipkA:
15.59
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.
1k8d QA-2 ANTIGEN

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 PHE A 116
ILE A 124
ASP A 156
ILE A 152
LEU A 114
 None
 0.71A 3o1xA-1k8dA:
undetectable		 3o1xA-1k8dA:
17.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kpb HUMAN PROTEIN KINASE
C INTERACTING
PROTEIN 1 (ZINC
PROTEIN)

(Homo sapiens) 		PF01230
(HIT) 		10 ILE A  18
PHE A  19
ILE A  22
ASP A  43
ILE A  44
SER A  45
LEU A  53
SER A 107
HIS A 112
HIS A 114
 None
 0.77A 3o1xA-1kpbA:
23.5		 3o1xA-1kpbA:
95.20
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.
1pg5 ASPARTATE
CARBAMOYLTRANSFERASE

(Sulfolobus
acidocaldarius) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ILE A  43
PHE A  45
ILE A 120
SER A  55
HIS A 129
 None
 1.16A 3o1xA-1pg5A:
undetectable		 3o1xA-1pg5A:
18.54
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.
1rhi HUMAN RHINOVIRUS 3
COAT PROTEIN

(Rhinovirus B) 		PF00073
(Rhv) 		5 ILE 3 211
PHE 3  92
ILE 3  87
ILE 3 165
SER 3 209
 None
 1.31A 3o1xA-1rhi3:
undetectable		 3o1xA-1rhi3:
16.88
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.
1uhl OXYSTEROLS RECEPTOR
LXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ILE B 268
ILE B 295
SER B 418
LEU B 300
SER B 366
 None
 1.14A 3o1xA-1uhlB:
undetectable		 3o1xA-1uhlB:
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.
1v10 LACCASE

(Rigidoporus
microporus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ILE A 386
PHE A 440
ILE A 388
ILE A 378
HIS A 403
 None
 1.03A 3o1xA-1v10A:
undetectable		 3o1xA-1v10A:
13.68
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.
1v10 LACCASE

(Rigidoporus
microporus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ILE A 386
PHE A 440
ILE A 388
LEU A 400
HIS A 403
 None
 1.19A 3o1xA-1v10A:
undetectable		 3o1xA-1v10A:
13.68
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.
1w9c CRM1 PROTEIN

(Homo sapiens) 		PF08767
(CRM1_C) 		6 ILE A 879
ILE A 878
ILE A 922
LEU A 894
SER A 928
HIS A 942
 None
 1.46A 3o1xA-1w9cA:
undetectable		 3o1xA-1w9cA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y23 HISTIDINE TRIAD
PROTEIN

(Bacillus
subtilis) 		PF01230
(HIT) 		9 ILE A   8
PHE A   9
ILE A  12
ASP A  33
SER A  35
LEU A  43
SER A  97
HIS A 102
HIS A 104
 None
 0.68A 3o1xA-1y23A:
15.4		 3o1xA-1y23A:
29.94
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.
1y23 HISTIDINE TRIAD
PROTEIN

(Bacillus
subtilis) 		PF01230
(HIT) 		9 PHE A   9
ILE A  12
ASP A  33
ILE A  34
SER A  35
LEU A  43
SER A  97
HIS A 102
HIS A 104
 None
 0.70A 3o1xA-1y23A:
15.4		 3o1xA-1y23A:
29.94
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.
1z1s HYPOTHETICAL PROTEIN
PA3332

(Pseudomonas
aeruginosa) 		PF12680
(SnoaL_2) 		5 ILE A 112
PHE A  26
ASP A 117
SER A 103
SER A  10
 None
None
PGE  A 301 (-3.1A)
PGE  A 301 ( 3.9A)
None
 1.28A 3o1xA-1z1sA:
undetectable		 3o1xA-1z1sA:
23.30
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.
2au1 IGG-DEGRADING
PROTEASE

(Streptococcus
pyogenes) 		PF09028
(Mac-1) 		5 ILE A 207
PHE A 180
ILE A 181
ILE A 114
HIS A 104
 None
 0.99A 3o1xA-2au1A:
undetectable		 3o1xA-2au1A:
19.24
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.
2cv6 SEED STORAGE PROTEIN

(Vigna radiata) 		PF00190
(Cupin_1) 		5 ILE A 108
PHE A 114
ILE A 127
LEU A  67
HIS A  70
 None
 1.16A 3o1xA-2cv6A:
undetectable		 3o1xA-2cv6A:
14.56
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.
2du7 O-PHOSPHOSERYL-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF01409
(tRNA-synt_2d) 		5 ILE A 369
ILE A 365
ILE A 534
SER A 511
LEU A 524
 None
 1.26A 3o1xA-2du7A:
undetectable		 3o1xA-2du7A:
10.79
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.
2eaa 7S GLOBULIN-3

(Vigna angularis) 		PF00190
(Cupin_1) 		5 ILE A 114
PHE A 120
ILE A 133
LEU A  73
HIS A  76
 None
 1.29A 3o1xA-2eaaA:
undetectable		 3o1xA-2eaaA:
14.13
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.
2efe SIMILARITY TO
VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN VPS9

(Arabidopsis
thaliana) 		PF02204
(VPS9) 		5 ILE A 240
PHE A 236
ILE A 237
ILE A 119
SER A 120
 None
 1.06A 3o1xA-2efeA:
undetectable		 3o1xA-2efeA:
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.
2eo4 150AA LONG
HYPOTHETICAL
HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN

(Sulfurisphaera
tokodaii) 		PF01230
(HIT) 		6 PHE A   3
ILE A   6
ASP A  27
LEU A  37
HIS A  96
HIS A  98
 None
None
None
None
PO4  A 202 ( 3.7A)
PO4  A 202 ( 4.0A)
 0.54A 3o1xA-2eo4A:
12.9		 3o1xA-2eo4A:
24.71
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.
2gsn PHOSPHODIESTERASE-NU
CLEOTIDE
PYROPHOSPHATASE

(Xanthomonas
citri) 		PF01663
(Phosphodiest) 		5 ILE A 269
ASP A 285
ILE A 289
LEU A 346
SER A 362
 None
 1.25A 3o1xA-2gsnA:
undetectable		 3o1xA-2gsnA:
14.32
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.
2hzh LACCASE

(Trametes
ochracea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ILE A 380
PHE A 441
ILE A 382
LEU A 399
HIS A 402
 None
 1.25A 3o1xA-2hzhA:
undetectable		 3o1xA-2hzhA:
13.20
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.
2jva PEPTIDYL-TRNA
HYDROLASE DOMAIN
PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		PF00472
(RF-1) 		5 ILE A  70
ILE A  43
ILE A  95
LEU A  59
HIS A 105
 None
 1.10A 3o1xA-2jvaA:
undetectable		 3o1xA-2jvaA:
25.37
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.
2lkk FATTY ACID-BINDING
PROTEIN, LIVER

(Homo sapiens) 		PF14651
(Lipocalin_7) 		5 ILE A  52
PHE A  50
ILE A  59
SER A 100
LEU A  71
 OLA  A 128 (-3.7A)
OLA  A 129 ( 3.9A)
OLA  A 129 ( 3.8A)
OLA  A 129 ( 3.6A)
OLA  A 129 (-3.8A)
 1.25A 3o1xA-2lkkA:
undetectable		 3o1xA-2lkkA:
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.
2nn6 POLYMYOSITIS/SCLEROD
ERMA AUTOANTIGEN 1

(Homo sapiens) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 ILE A 154
ILE A 265
ILE A 187
SER A 113
HIS A 228
 None
 1.27A 3o1xA-2nn6A:
undetectable		 3o1xA-2nn6A:
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.
2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA
NEDD8-CONJUGATING
ENZYME UBC12

(Homo sapiens) 		PF00179
(UQ_con)
PF00899
(ThiF)
PF08825
(E2_bind)
PF13416
(SBP_bac_8) 		5 ILE C  49
PHE C  51
ILE C 125
LEU C  57
SER B2396
 None
 1.09A 3o1xA-2nvuC:
undetectable		 3o1xA-2nvuC:
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.
2ok8 PUTATIVE
FERREDOXIN--NADP
REDUCTASE

(Plasmodium
falciparum) 		PF00175
(NAD_binding_1) 		5 ILE A 142
PHE A 141
ILE A  56
ASP A 149
ILE A  20
 None
 1.27A 3o1xA-2ok8A:
undetectable		 3o1xA-2ok8A:
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.
2pof CDP-DIACYLGLYCEROL
PYROPHOSPHATASE

(Escherichia
coli) 		PF02611
(CDH) 		5 ILE A  37
ASP A  69
LEU A  77
HIS A 140
HIS A 142
 None
 0.48A 3o1xA-2pofA:
7.9		 3o1xA-2pofA:
17.47
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.
2qt6 LACCASE

(Lentinus
tigrinus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ILE A 379
PHE A 440
ILE A 381
LEU A 398
HIS A 401
 None
None
None
None
CL  A3720 (-4.3A)
 1.22A 3o1xA-2qt6A:
undetectable		 3o1xA-2qt6A:
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.
2vpv PROTEIN MIF2

(Saccharomyces
cerevisiae) 		PF11699
(CENP-C_C) 		5 ILE A 476
PHE A 478
ILE A 443
LEU A 457
SER A 469
 None
 1.22A 3o1xA-2vpvA:
undetectable		 3o1xA-2vpvA:
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.
2vw8 PA1000

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 ILE A 218
PHE A 175
ASP A  13
LEU A  27
HIS A 149
 None
 1.30A 3o1xA-2vw8A:
undetectable		 3o1xA-2vw8A:
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.
2vxr BOTULINUM NEUROTOXIN
TYPE G

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 ILE A 960
PHE A1050
ILE A1064
ILE A 935
LEU A 873
 None
 1.31A 3o1xA-2vxrA:
undetectable		 3o1xA-2vxrA:
13.84
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.
2w0m SSO2452

(Sulfolobus
solfataricus) 		PF06745
(ATPase) 		5 ILE A 187
PHE A  39
ILE A 202
ASP A  13
ILE A  16
 None
 1.20A 3o1xA-2w0mA:
undetectable		 3o1xA-2w0mA:
20.34
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.
2wyh ALPHA-MANNOSIDASE

(Streptococcus
pyogenes) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		5 ILE A  56
ASP A  52
SER A  12
LEU A  89
HIS A 351
 None
None
None
None
ZN  A 902 (-3.4A)
 1.31A 3o1xA-2wyhA:
undetectable		 3o1xA-2wyhA:
7.69
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.
2xa2 TREHALOSE-SYNTHASE
TRET

(Pyrococcus
horikoshii) 		PF00534
(Glycos_transf_1) 		5 PHE A  43
ILE A 410
LEU A 131
HIS A  45
HIS A 133
 None
 1.17A 3o1xA-2xa2A:
undetectable		 3o1xA-2xa2A:
15.87
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.
2xyb LACCASE

(Trametes
cinnabarina) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ILE A 380
PHE A 439
ILE A 382
LEU A 399
HIS A 402
 None
None
None
None
ZN  A 710 ( 3.2A)
 1.22A 3o1xA-2xybA:
undetectable		 3o1xA-2xybA:
13.54
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.
3esh PROTEIN SIMILAR TO
METAL-DEPENDENT
HYDROLASE

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		5 ILE A  51
ILE A  61
ILE A 192
HIS A 113
HIS A 108
 None
 1.24A 3o1xA-3eshA:
undetectable		 3o1xA-3eshA:
15.36
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.
3hmu AMINOTRANSFERASE,
CLASS III

(Ruegeria
pomeroyi) 		PF00202
(Aminotran_3) 		5 ILE A 259
ILE A 149
ASP A 128
SER A 302
HIS A 319
 None
 1.31A 3o1xA-3hmuA:
undetectable		 3o1xA-3hmuA:
13.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3imi HIT FAMILY PROTEIN

(Bacillus
anthracis) 		PF01230
(HIT) 		8 ILE A   9
PHE A  10
ILE A  13
ASP A  34
ILE A  35
LEU A  44
HIS A 103
HIS A 105
 None
None
None
None
None
None
SO4  A 145 (-3.8A)
SO4  A 145 (-4.1A)
 0.62A 3o1xA-3imiA:
15.4		 3o1xA-3imiA:
32.81
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.
3ksv UNCHARACTERIZED
PROTEIN

(Leishmania
major) 		PF01230
(HIT) 		8 ILE A   6
PHE A   7
ILE A  10
ASP A  31
ILE A  32
LEU A  41
HIS A 100
HIS A 102
 None
 0.59A 3o1xA-3ksvA:
14.2		 3o1xA-3ksvA:
27.45
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.
3l7x PUTATIVE HIT-LIKE
PROTEIN INVOLVED IN
CELL-CYCLE
REGULATION

(Streptococcus
mutans) 		PF01230
(HIT) 		7 PHE A   6
ILE A   9
ASP A  30
ILE A  31
LEU A  40
HIS A  99
HIS A 101
 None
None
None
None
None
NA  A 141 (-3.7A)
NA  A 141 (-4.1A)
 0.62A 3o1xA-3l7xA:
14.5		 3o1xA-3l7xA:
25.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lb5 HIT-LIKE PROTEIN
INVOLVED IN
CELL-CYCLE
REGULATION

(Bartonella
henselae) 		PF01230
(HIT) 		7 ILE A  10
PHE A  11
ASP A  35
ILE A  36
LEU A  45
HIS A 104
HIS A 106
 UNL  A 141 ( 4.9A)
None
UNL  A 141 ( 4.2A)
UNL  A 141 ( 4.0A)
None
None
None
 0.61A 3o1xA-3lb5A:
14.7		 3o1xA-3lb5A:
37.01
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.
3n11 CHITINASE A

(Bacillus cereus) 		PF00704
(Glyco_hydro_18) 		5 ILE A 128
PHE A 124
ILE A 125
ILE A 172
LEU A 115
 None
 1.32A 3o1xA-3n11A:
undetectable		 3o1xA-3n11A:
20.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n1t HIT-LIKE PROTEIN
HINT

(Escherichia
coli) 		PF01230
(HIT) 		7 ILE A   6
PHE A   7
ILE A  10
ASP A  31
ILE A  32
LEU A  41
HIS A 103
 5GP  A 200 (-3.6A)
None
None
5GP  A 200 (-2.3A)
5GP  A 200 (-3.6A)
5GP  A 200 (-4.2A)
5GP  A 200 (-4.1A)
 0.62A 3o1xA-3n1tA:
20.2		 3o1xA-3n1tA:
42.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n1t HIT-LIKE PROTEIN
HINT

(Escherichia
coli) 		PF01230
(HIT) 		6 PHE A   7
ILE A  10
ASP A  31
SER A  33
LEU A  41
HIS A 103
 None
None
5GP  A 200 (-2.3A)
5GP  A 200 (-4.7A)
5GP  A 200 (-4.2A)
5GP  A 200 (-4.1A)
 0.63A 3o1xA-3n1tA:
20.2		 3o1xA-3n1tA:
42.31
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.
3ne9 PHOSPHOPANTETHEINE
PROTEIN TRANSFERASE,
PPT1P

(Corynebacterium
ammoniagenes) 		PF01648
(ACPS) 		5 ILE A  77
PHE A  76
ILE A 101
ILE A  91
LEU A 123
 None
 1.26A 3o1xA-3ne9A:
undetectable		 3o1xA-3ne9A:
24.28
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.
3nm1 THIAMINE
BIOSYNTHETIC
BIFUNCTIONAL ENZYME

([Candida]
glabrata) 		PF02110
(HK)
PF02581
(TMP-TENI) 		5 ILE A 239
ILE A 476
ILE A 256
SER A 255
HIS A 307
 None
 1.25A 3o1xA-3nm1A:
undetectable		 3o1xA-3nm1A:
12.50
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.
3o0m HIT FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF01230
(HIT) 		7 PHE A   5
ILE A   8
ASP A  29
ILE A  30
LEU A  39
HIS A  99
HIS A 101
 None
None
AMP  A 155 (-2.7A)
AMP  A 155 (-3.8A)
AMP  A 155 (-4.8A)
AMP  A 155 (-3.7A)
AMP  A 155 (-3.8A)
 0.34A 3o1xA-3o0mA:
14.6		 3o1xA-3o0mA:
28.77
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.
3o90 NICOTINAMIDASE

(Streptococcus
pneumoniae) 		PF00857
(Isochorismatase) 		5 ILE A 151
ILE A 153
SER A 107
LEU A 138
HIS A 172
 None
 1.19A 3o1xA-3o90A:
undetectable		 3o1xA-3o90A:
20.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oxk PUTATIVE HISTIDINE
TRIAD FAMILY PROTEIN

(Entamoeba
histolytica) 		PF01230
(HIT) 		8 ILE A   6
PHE A   7
ILE A  10
ASP A  31
ILE A  32
LEU A  41
HIS A  99
HIS A 101
 None
5GP  A 125 (-4.9A)
None
5GP  A 125 (-2.6A)
5GP  A 125 (-3.7A)
5GP  A 125 (-4.7A)
5GP  A 125 (-3.9A)
5GP  A 125 (-4.1A)
 0.53A 3o1xA-3oxkA:
17.8		 3o1xA-3oxkA:
41.54
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.
3p0t UNCHARACTERIZED
PROTEIN

(Mycobacterium
avium) 		PF01230
(HIT) 		5 PHE A   5
ILE A   8
LEU A  39
HIS A  93
HIS A  95
 None
EDO  A 201 ( 4.8A)
None
SO4  A 150 (-3.8A)
SO4  A 150 (-4.1A)
 1.30A 3o1xA-3p0tA:
11.3		 3o1xA-3p0tA:
26.62
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.
3pam TRANSMEMBRANE
PROTEIN

(Bartonella
henselae) 		PF00496
(SBP_bac_5) 		5 PHE A 446
ILE A 448
ILE A 568
SER A 342
LEU A 466
 None
 1.14A 3o1xA-3pamA:
undetectable		 3o1xA-3pamA:
16.22
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.
3pco PHENYLALANYL-TRNA
SYNTHETASE, ALPHA
SUBUNIT
PHENYLALANYL-TRNA
SYNTHETASE, BETA
CHAIN

(Escherichia
coli) 		PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF02912
(Phe_tRNA-synt_N)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 ILE B 511
ASP A 114
ILE A 113
LEU A 106
SER B 572
 None
 1.16A 3o1xA-3pcoB:
undetectable		 3o1xA-3pcoB:
11.48
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.
3r6f HIT FAMILY PROTEIN

(Encephalitozoon
cuniculi) 		PF01230
(HIT) 		6 ILE A   5
PHE A   6
ASP A  28
LEU A  38
HIS A  91
HIS A  93
 None
MPD  A 134 ( 4.9A)
MPD  A 134 (-3.3A)
None
SO4  A 133 (-3.6A)
SO4  A 133 (-4.3A)
 0.34A 3o1xA-3r6fA:
14.2		 3o1xA-3r6fA:
27.39
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.
3t6w LACCASE

(Steccherinum
ochraceum) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ILE A 384
PHE A 441
ILE A 386
ILE A 376
HIS A 404
 None
 1.11A 3o1xA-3t6wA:
undetectable		 3o1xA-3t6wA:
12.73
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.
3t7i REGULATOR OF TY1
TRANSPOSITION
PROTEIN 107

(Saccharomyces
cerevisiae) 		PF16770
(RTT107_BRCT_5)
PF16771
(RTT107_BRCT_6) 		5 ILE A 864
ILE A 862
ASP A 853
ILE A 854
LEU A 910
 None
 1.29A 3o1xA-3t7iA:
undetectable		 3o1xA-3t7iA:
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.
3wmd PROBABLE MONENSIN
BIOSYNTHESIS
ISOMERASE

(Streptomyces
cinnamonensis) 		PF12680
(SnoaL_2) 		5 ILE A  17
ILE A  25
ASP A  37
SER A 133
SER A  84
 None
 1.24A 3o1xA-3wmdA:
undetectable		 3o1xA-3wmdA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ajt PROTEIN Z-DEPENDENT
PROTEASE INHIBITOR

(Mus musculus) 		PF00079
(Serpin) 		5 ILE A 207
PHE A 204
ILE A 188
SER A 363
LEU A 366
 None
 1.32A 3o1xA-4ajtA:
undetectable		 3o1xA-4ajtA:
14.99
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.
4amq L544

(Acanthamoeba
polyphaga
mimivirus) 		no annotation 5 ILE A 330
ASP A 288
ILE A 285
SER A 284
LEU A 253
 None
 0.94A 3o1xA-4amqA:
undetectable		 3o1xA-4amqA:
13.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4egu HISTIDINE TRIAD
(HIT) PROTEIN

(Clostridioides
difficile) 		PF01230
(HIT) 		7 ILE A   7
PHE A   8
ILE A  11
ASP A  32
LEU A  42
HIS A 102
HIS A 104
 5GP  A 201 (-4.4A)
5GP  A 201 (-4.4A)
None
5GP  A 201 (-2.2A)
5GP  A 201 (-3.7A)
5GP  A 201 ( 2.0A)
5GP  A 201 (-2.3A)
 0.37A 3o1xA-4eguA:
19.1		 3o1xA-4eguA:
39.84
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.
4ffu OXIDASE

(Sinorhizobium
meliloti) 		PF01575
(MaoC_dehydratas) 		5 ILE A   6
ILE A 106
LEU A 142
SER A  74
HIS A 140
 None
 1.23A 3o1xA-4ffuA:
undetectable		 3o1xA-4ffuA:
18.75
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.
4fgv CHROMOSOME REGION
MAINTENANCE 1 (CRM1)
OR EXPORTIN 1 (XPO1)

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		5 ILE A 221
PHE A 222
ILE A 227
LEU A 269
HIS A 319
 None
 1.18A 3o1xA-4fgvA:
undetectable		 3o1xA-4fgvA:
9.07
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.
4g1c NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL

(Homo sapiens) 		PF02146
(SIR2) 		5 ASP A 143
ILE A 142
SER A  57
HIS A 146
HIS A 118
 CNA  A 402 (-3.7A)
CNA  A 402 (-4.7A)
None
None
None
 1.18A 3o1xA-4g1cA:
undetectable		 3o1xA-4g1cA:
18.77
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.
4gvl TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 PHE A 377
ILE A 416
LEU A 379
HIS A 391
HIS A 359
 None
None
None
ZN  A 601 (-2.9A)
ZN  A 601 (-3.4A)
 1.18A 3o1xA-4gvlA:
undetectable		 3o1xA-4gvlA:
14.25
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.
4gx0 TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N)
PF07885
(Ion_trans_2) 		5 PHE A 377
ILE A 416
LEU A 379
HIS A 391
HIS A 359
 None
None
None
ZN  A 606 (-3.3A)
ZN  A 606 (-3.5A)
 1.22A 3o1xA-4gx0A:
undetectable		 3o1xA-4gx0A:
11.48
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.
4idi ORYZA SATIVA
RURM1-RELATED

(Plasmodium
yoelii) 		PF09138
(Urm1) 		5 ILE A  48
ILE A  43
ILE A  91
SER A 120
SER A  15
 None
 1.12A 3o1xA-4idiA:
undetectable		 3o1xA-4idiA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jhv LACCASE

(Coriolopsis
caperata) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ILE A 379
PHE A 438
ILE A 381
LEU A 398
HIS A 401
 None
 1.26A 3o1xA-4jhvA:
undetectable		 3o1xA-4jhvA:
13.12
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.
4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		5 ILE A 495
ILE A 491
ILE A 438
SER A 427
SER A 501
 None
 1.08A 3o1xA-4jsoA:
undetectable		 3o1xA-4jsoA:
12.55
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.
4m7s BTRN

(Bacillus
circulans) 		PF13186
(SPASM) 		5 ILE A   8
PHE A   5
ILE A  82
LEU A  51
HIS A 204
 None
 1.28A 3o1xA-4m7sA:
undetectable		 3o1xA-4m7sA:
22.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njz HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL

(Homo sapiens) 		PF01230
(HIT) 		8 ILE A  55
PHE A  56
ILE A  59
ASP A  80
LEU A  90
SER A 144
HIS A 149
HIS A 151
 None
None
None
SO4  A 201 (-2.8A)
None
SO4  A 201 (-2.8A)
None
SO4  A 201 (-4.8A)
 0.61A 3o1xA-4njzA:
21.8		 3o1xA-4njzA:
48.47
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.
4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 174
PHE A 146
SER A 135
LEU A 138
HIS A 142
 None
None
None
None
EDO  A 407 ( 4.2A)
 1.11A 3o1xA-4qtbA:
undetectable		 3o1xA-4qtbA:
15.24
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.
4r5q CRISPR-ASSOCIATED
EXONUCLEASE, CAS4
FAMILY

(Pyrobaculum
calidifontis) 		PF01930
(Cas_Cas4) 		5 PHE A 205
ASP A  60
SER A  56
LEU A  67
SER A  83
 None
None
None
FES  A 302 ( 4.1A)
None
 1.28A 3o1xA-4r5qA:
undetectable		 3o1xA-4r5qA:
20.98
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.
4rzi 3-KETOACYL-ACYL
CARRIER PROTEIN
REDUCTASE

(Synechocystis
sp. PCC 6803) 		no annotation 5 ILE B 196
PHE B 205
ILE B 200
ILE B 135
SER B 134
 None
 1.24A 3o1xA-4rziB:
undetectable		 3o1xA-4rziB:
18.29
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.
4uc0 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Agrobacterium
vitis) 		PF01048
(PNP_UDP_1) 		5 ILE A 261
PHE A  65
ILE A  70
ILE A 104
LEU A  30
 None
 1.01A 3o1xA-4uc0A:
undetectable		 3o1xA-4uc0A:
18.86
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.
4w7h CARBONYL REDUCTASE

(Sphingomonas
sp. A1) 		PF13561
(adh_short_C2) 		5 ILE A 213
PHE A 222
ILE A 217
ILE A 151
SER A 150
 None
 1.31A 3o1xA-4w7hA:
undetectable		 3o1xA-4w7hA:
18.92
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.
4win GMP SYNTHETASE

(Plasmodium
falciparum) 		PF00117
(GATase) 		5 ILE A  83
PHE A  78
ILE A  85
ILE A   9
LEU A  12
 None
 1.06A 3o1xA-4winA:
undetectable		 3o1xA-4winA:
19.17
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.
4xba APRATAXIN-LIKE
PROTEIN

(Schizosaccharomyces
pombe) 		PF01230
(HIT)
PF16278
(zf-C2HE) 		5 ASP A  63
LEU A  73
SER A 142
HIS A 147
HIS A 149
 GMP  A 301 (-2.7A)
None
GMP  A 301 ( 4.0A)
GMP  A 301 (-3.9A)
GMP  A 301 (-4.8A)
 0.40A 3o1xA-4xbaA:
8.0		 3o1xA-4xbaA:
18.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zgl UNCHARACTERIZED
HIT-LIKE PROTEIN
HP_0404

(Helicobacter
pylori) 		PF01230
(HIT) 		7 PHE A   4
ILE A   7
ASP A  28
ILE A  29
LEU A  38
HIS A  95
HIS A  97
 None
 0.41A 3o1xA-4zglA:
16.4		 3o1xA-4zglA:
34.11
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.
4zrx F5/8 TYPE C DOMAIN
PROTEIN

(Bacteroides
ovatus) 		PF00754
(F5_F8_type_C)
PF01120
(Alpha_L_fucos) 		5 PHE A  66
ASP A 204
ILE A 238
HIS A  68
HIS A 117
 None
EDO  A 701 ( 3.5A)
EDO  A 701 (-4.5A)
EDO  A 703 (-3.9A)
EDO  A 703 (-4.1A)
 1.09A 3o1xA-4zrxA:
undetectable		 3o1xA-4zrxA:
12.22
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.
4zyl RPHYB PROTEIN

(Rhodopseudomonas
palustris) 		PF00072
(Response_reg) 		5 ILE A 133
PHE A  27
ILE A  32
ILE A  66
LEU A  36
 None
 1.31A 3o1xA-4zylA:
undetectable		 3o1xA-4zylA:
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.
5cs2 HISTIDINE TRIAD
PROTEIN

(Plasmodium
falciparum) 		PF01230
(HIT) 		5 PHE A  24
ILE A  29
LEU A  56
HIS A 115
HIS A 117
 None
 0.53A 3o1xA-5cs2A:
10.1		 3o1xA-5cs2A:
19.21
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.
5h3c PROTEIN SUPPRESSOR
OF NPR1-1,
CONSTITUTIVE 1

(Arabidopsis
thaliana) 		PF01582
(TIR) 		5 PHE A 113
ILE A  79
ILE A 171
LEU A 161
HIS A 114
 None
 1.16A 3o1xA-5h3cA:
undetectable		 3o1xA-5h3cA:
22.29
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.
5h3c PROTEIN SUPPRESSOR
OF NPR1-1,
CONSTITUTIVE 1

(Arabidopsis
thaliana) 		PF01582
(TIR) 		5 PHE A 113
ILE A 111
ILE A 171
LEU A 161
HIS A 114
 None
 1.28A 3o1xA-5h3cA:
undetectable		 3o1xA-5h3cA:
22.29
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.
5iaa UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME 5

(Homo sapiens) 		PF00899
(ThiF) 		5 PHE A 103
ILE A 164
SER A 165
LEU A 101
HIS A 147
 None
 1.18A 3o1xA-5iaaA:
undetectable		 3o1xA-5iaaA:
19.58
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.
5ivw GENERAL
TRANSCRIPTION FACTOR
IIH SUBUNIT 3

(Homo sapiens) 		PF03850
(Tfb4) 		5 PHE 3 177
ILE 3 181
ILE 3 161
LEU 3 203
SER 3  62
 None
 1.25A 3o1xA-5ivw3:
undetectable		 3o1xA-5ivw3:
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.
5j4f UNCHARACTERIZED
PROTEIN

(Helicobacter
pylori) 		no annotation 5 ILE A  74
PHE A  59
LEU A  84
HIS A  82
HIS A  42
 None
 1.28A 3o1xA-5j4fA:
undetectable		 3o1xA-5j4fA:
17.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5km5 HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL

(Homo sapiens) 		PF01230
(HIT) 		5 ASP A  80
LEU A  90
SER A 144
HIS A 149
HIS A 151
 None
None
CL  A 201 (-3.5A)
None
CL  A 201 (-4.5A)
 1.16A 3o1xA-5km5A:
18.3		 3o1xA-5km5A:
56.83
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.
5lxj PHOSPHOPROTEIN

(Small ruminant
morbillivirus) 		no annotation 5 PHE A 497
ILE A 467
SER A 471
LEU A 481
HIS A 477
 None
 1.30A 3o1xA-5lxjA:
undetectable		 3o1xA-5lxjA:
21.90
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.
5n5z RNA POLYMERASE
I-SPECIFIC
TRANSCRIPTION
INITIATION FACTOR
RRN3

(Saccharomyces
cerevisiae) 		PF05327
(RRN3) 		5 ILE O 240
ILE O 237
ILE O 384
SER O 340
LEU O 233
 None
 1.10A 3o1xA-5n5zO:
undetectable		 3o1xA-5n5zO:
11.49
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.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		5 PHE T1110
ILE T1145
LEU T1106
SER T1032
HIS T1109
 None
 1.23A 3o1xA-5ojsT:
undetectable		 3o1xA-5ojsT:
2.87
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.
5or4 CATECHOL OXIDASE

(Aspergillus
oryzae) 		no annotation 5 ILE A 123
ILE A 315
SER A 302
HIS A 102
HIS A 110
 None
None
None
CU  A2001 (-3.3A)
CU  A2001 (-3.3A)
 1.27A 3o1xA-5or4A:
undetectable		 3o1xA-5or4A:
19.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uvm HISTIDINE TRIAD
(HIT) PROTEIN

(Ruminiclostridium
thermocellum) 		PF11969
(DcpS_C) 		7 PHE A   6
ILE A   9
ASP A  30
ILE A  31
LEU A  40
HIS A 100
HIS A 102
 None
UNX  A 209 ( 4.4A)
UNX  A 213 ( 3.0A)
UNX  A 217 ( 3.8A)
None
UNX  A 202 ( 3.6A)
UNX  A 203 ( 4.5A)
 0.68A 3o1xA-5uvmA:
20.0		 3o1xA-5uvmA:
34.67
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.
5uyg PERIPLASMIC CHELATED
IRON-BINDING PROTEIN
YFEA

(Yersinia pestis) 		PF01297
(ZnuA) 		5 ILE A  50
PHE A  48
ILE A  51
LEU A 101
HIS A  76
 None
None
None
None
ZN  A 401 (-3.3A)
 1.16A 3o1xA-5uygA:
undetectable		 3o1xA-5uygA:
17.42
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.
5w3l VIRAL PROTEIN 3

(Rhinovirus B) 		PF00073
(Rhv) 		5 ILE B 211
PHE B  92
ILE B  87
ILE B 165
SER B 209
 None
 1.26A 3o1xA-5w3lB:
undetectable		 3o1xA-5w3lB:
18.63
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.
5yud BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 1E

(Mus musculus) 		no annotation 5 ILE A 530
ILE A 519
SER A 538
LEU A 500
SER A 404
 None
 1.26A 3o1xA-5yudA:
undetectable		 3o1xA-5yudA:
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.
6a8l -

(-) 		no annotation 5 ILE A 151
ILE A 153
SER A 107
LEU A 138
HIS A 172
 None
 1.28A 3o1xA-6a8lA:
undetectable		 3o1xA-6a8lA:
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.
6ckg D-GLYCERATE 3-KINASE

(Cryptococcus
neoformans) 		no annotation 5 ILE A 162
ASP A 230
ILE A 229
LEU A  32
HIS A  19
 None
 1.21A 3o1xA-6ckgA:
undetectable		 3o1xA-6ckgA:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6d6j HIT FAMILY HYDROLASE

(Legionella
pneumophila) 		no annotation 7 PHE A   5
ILE A   8
ASP A  29
ILE A  30
LEU A  39
HIS A  99
HIS A 101
 None
 0.52A 3o1xA-6d6jA:
21.0		 3o1xA-6d6jA:
37.74