SIMILAR PATTERNS OF AMINO ACIDS FOR 3O1C_A_ADNA127

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)
 0.59A 3o1cA-1emsA:
11.0		 3o1cA-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.
1fbn MJ FIBRILLARIN
HOMOLOGUE

(Methanocaldococcus
jannaschii) 		PF01269
(Fibrillarin) 		5 ILE A 124
ASP A  94
ILE A  30
SER A  29
HIS A  91
 None
 1.19A 3o1cA-1fbnA:
undetectable		 3o1cA-1fbnA:
21.52
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.
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)
 0.57A 3o1cA-1fhiA:
10.5		 3o1cA-1fhiA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3o1cA-1gycA:
undetectable		 3o1cA-1gycA:
14.54
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.
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
 1.14A 3o1cA-1ipkA:
undetectable		 3o1cA-1ipkA:
15.35
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.
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
 0.72A 3o1cA-1k8dA:
undetectable		 3o1cA-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
 0.70A 3o1cA-1kpbA:
23.5		 3o1cA-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
 1.18A 3o1cA-1pg5A:
undetectable		 3o1cA-1pg5A:
18.87
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.
1v10 LACCASE

(Rigidoporus
microporus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ILE A 334
ILE A 345
ILE A 429
SER A 428
HIS A 457
 None
None
None
None
CU  A1503 (-3.2A)
 1.14A 3o1cA-1v10A:
undetectable		 3o1cA-1v10A:
13.92
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.
1v10 LACCASE

(Rigidoporus
microporus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		6 ILE A 386
PHE A 440
ILE A 388
ILE A 378
SER A 379
HIS A 403
 None
 1.49A 3o1cA-1v10A:
undetectable		 3o1cA-1v10A:
13.92
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.
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 3o1cA-1v10A:
undetectable		 3o1cA-1v10A:
13.92
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.
1w9c CRM1 PROTEIN

(Homo sapiens) 		PF08767
(CRM1_C) 		5 ILE A 879
ILE A 878
ILE A 922
LEU A 894
HIS A 942
 None
 1.19A 3o1cA-1w9cA:
undetectable		 3o1cA-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) 		8 ILE A   8
PHE A   9
ILE A  12
ASP A  33
LEU A  43
SER A  97
HIS A 102
HIS A 104
 None
 0.52A 3o1cA-1y23A:
15.3		 3o1cA-1y23A:
29.30
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.
1y23 HISTIDINE TRIAD
PROTEIN

(Bacillus
subtilis) 		PF01230
(HIT) 		7 ILE A   8
PHE A   9
ILE A  12
ASP A  33
SER A  35
HIS A 102
HIS A 104
 None
 0.65A 3o1cA-1y23A:
15.3		 3o1cA-1y23A:
29.30
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.
1y23 HISTIDINE TRIAD
PROTEIN

(Bacillus
subtilis) 		PF01230
(HIT) 		8 PHE A   9
ILE A  12
ASP A  33
ILE A  34
LEU A  43
SER A  97
HIS A 102
HIS A 104
 None
 0.58A 3o1cA-1y23A:
15.3		 3o1cA-1y23A:
29.30
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.
1y23 HISTIDINE TRIAD
PROTEIN

(Bacillus
subtilis) 		PF01230
(HIT) 		7 PHE A   9
ILE A  12
ASP A  33
ILE A  34
SER A  35
HIS A 102
HIS A 104
 None
 0.75A 3o1cA-1y23A:
15.3		 3o1cA-1y23A:
29.30
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.
1yy3 S-ADENOSYLMETHIONINE
:TRNA
RIBOSYLTRANSFERASE-I
SOMERASE

(Bacillus
subtilis) 		PF02547
(Queuosine_synth) 		5 ILE A  46
PHE A  43
ILE A 188
SER A 251
HIS A 183
 None
 1.27A 3o1cA-1yy3A:
undetectable		 3o1cA-1yy3A:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.01A 3o1cA-2au1A:
undetectable		 3o1cA-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
 1.19A 3o1cA-2cv6A:
undetectable		 3o1cA-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.
2czr TBP-INTERACTING
PROTEIN

(Thermococcus
kodakarensis) 		PF15517
(TBPIP_N) 		5 ILE A  66
PHE A  82
ILE A  64
ASP A  95
LEU A 127
 None
GOL  A1001 ( 4.8A)
None
None
None
 1.24A 3o1cA-2czrA:
undetectable		 3o1cA-2czrA:
23.20
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.
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
 0.93A 3o1cA-2efeA:
undetectable		 3o1cA-2efeA:
16.42
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.
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)
 0.51A 3o1cA-2eo4A:
13.0		 3o1cA-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.
2fpq BOTULINUM NEUROTOXIN
D LIGHT CHAIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 ILE A  39
PHE A  94
ILE A  90
SER A 155
LEU A 231
 None
 1.21A 3o1cA-2fpqA:
undetectable		 3o1cA-2fpqA:
14.77
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.
2fzf HYPOTHETICAL PROTEIN

(Pyrococcus
furiosus) 		PF02915
(Rubrerythrin) 		5 ILE A  89
PHE A 123
ILE A  13
SER A  20
LEU A 127
 None
 1.07A 3o1cA-2fzfA:
undetectable		 3o1cA-2fzfA:
25.62
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.
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 3o1cA-2gsnA:
undetectable		 3o1cA-2gsnA:
14.07
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.
2h2y UBIQUITIN-CONJUGATIN
G ENZYME

(Plasmodium
falciparum) 		PF00179
(UQ_con) 		5 ILE A  71
PHE A  88
ILE A 127
SER A 128
HIS A  95
 None
 0.96A 3o1cA-2h2yA:
undetectable		 3o1cA-2h2yA:
18.84
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.
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 3o1cA-2hzhA:
undetectable		 3o1cA-2hzhA:
13.42
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.
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
 1.11A 3o1cA-2jvaA:
undetectable		 3o1cA-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.
2kb3 OXOGLUTARATE
DEHYDROGENASE
INHIBITOR

(Corynebacterium
glutamicum) 		PF00498
(FHA) 		5 ILE A 130
ILE A 128
ILE A  78
SER A  76
SER A  86
 None
 1.29A 3o1cA-2kb3A:
undetectable		 3o1cA-2kb3A:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lwe PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX58

(Homo sapiens) 		PF16739
(CARD_2) 		5 ILE A 118
PHE A 114
ILE A 124
SER A 128
LEU A 159
 None
 1.23A 3o1cA-2lweA:
undetectable		 3o1cA-2lweA:
21.14
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.
2nd1 BROMODOMAIN-CONTAINI
NG PROTEIN 4

(Homo sapiens) 		PF17035
(BET) 		5 ILE A  37
ILE A  36
ILE A  22
SER A  19
LEU A  64
 None
 0.98A 3o1cA-2nd1A:
undetectable		 3o1cA-2nd1A:
19.84
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.
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
 1.28A 3o1cA-2nn6A:
undetectable		 3o1cA-2nn6A:
15.79
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.
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 3o1cA-2nvuC:
undetectable		 3o1cA-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
 1.25A 3o1cA-2ok8A:
undetectable		 3o1cA-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.
2oze ORF DELTA'

(Streptococcus
pyogenes) 		PF13614
(AAA_31) 		5 ILE A 182
PHE A 217
SER A 190
LEU A 236
HIS A 240
 None
 1.28A 3o1cA-2ozeA:
undetectable		 3o1cA-2ozeA:
17.45
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.
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
 0.47A 3o1cA-2pofA:
8.0		 3o1cA-2pofA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3o1cA-2qt6A:
undetectable		 3o1cA-2qt6A:
15.25
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.
2vbk TAILSPIKE-PROTEIN

(Shigella virus
Sf6) 		PF12708
(Pectate_lyase_3) 		5 ILE A 368
PHE A 322
ILE A 351
SER A 332
LEU A 320
 None
 1.25A 3o1cA-2vbkA:
undetectable		 3o1cA-2vbkA:
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.
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
 1.20A 3o1cA-2vpvA:
undetectable		 3o1cA-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.
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 3o1cA-2w0mA:
undetectable		 3o1cA-2w0mA:
19.92
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.
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
 1.20A 3o1cA-2xa2A:
undetectable		 3o1cA-2xa2A:
15.62
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.
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 3o1cA-2xybA:
undetectable		 3o1cA-2xybA:
13.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3o1cA-3eshA:
undetectable		 3o1cA-3eshA:
16.01
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)
 0.61A 3o1cA-3imiA:
15.5		 3o1cA-3imiA:
33.33
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) 		5 ILE A   9
PHE A  10
ILE A  13
ILE A  35
SER A  36
 None
 0.98A 3o1cA-3imiA:
15.5		 3o1cA-3imiA:
33.33
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.
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
 0.57A 3o1cA-3ksvA:
14.9		 3o1cA-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)
 0.61A 3o1cA-3l7xA:
14.6		 3o1cA-3l7xA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l7x PUTATIVE HIT-LIKE
PROTEIN INVOLVED IN
CELL-CYCLE
REGULATION

(Streptococcus
mutans) 		PF01230
(HIT) 		5 PHE A   6
ILE A   9
ILE A  31
SER A  32
HIS A  99
 None
None
None
None
NA  A 141 (-3.7A)
 0.87A 3o1cA-3l7xA:
14.6		 3o1cA-3l7xA:
25.00
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
 0.63A 3o1cA-3lb5A:
14.8		 3o1cA-3lb5A:
36.36
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) 		8 ILE A   6
PHE A   7
ILE A  10
ASP A  31
ILE A  32
SER A  33
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 (-4.7A)
5GP  A 200 (-4.2A)
5GP  A 200 (-4.1A)
 0.61A 3o1cA-3n1tA:
20.4		 3o1cA-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
 1.25A 3o1cA-3ne9A:
undetectable		 3o1cA-3ne9A:
22.50
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)
 0.37A 3o1cA-3o0mA:
14.6		 3o1cA-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
 1.25A 3o1cA-3o90A:
undetectable		 3o1cA-3o90A:
19.82
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 3o1cA-3oxkA:
17.7		 3o1cA-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.
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
 1.18A 3o1cA-3pcoB:
undetectable		 3o1cA-3pcoB:
11.61
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.
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)
 0.33A 3o1cA-3r6fA:
14.3		 3o1cA-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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT M

(Escherichia
coli) 		no annotation 5 ILE M 298
PHE M 325
ILE M 328
ILE M 424
LEU M 411
 None
 1.01A 3o1cA-3rkoM:
undetectable		 3o1cA-3rkoM:
13.75
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.
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 3o1cA-3t6wA:
undetectable		 3o1cA-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 3o1cA-3t7iA:
undetectable		 3o1cA-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.
3tgw V-TYPE ATP SYNTHASE
BETA CHAIN

(Methanosarcina
mazei) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 ILE A 326
ILE A 300
ASP A 135
ILE A 131
SER A 132
 None
 1.25A 3o1cA-3tgwA:
undetectable		 3o1cA-3tgwA:
14.85
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.
4bvt CYANURIC ACID
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF09663
(Amido_AtzD_TrzD) 		5 ILE A 245
ILE A 150
SER A 152
LEU A 228
HIS A 259
 None
 1.26A 3o1cA-4bvtA:
undetectable		 3o1cA-4bvtA:
16.84
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.
4bvt CYANURIC ACID
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF09663
(Amido_AtzD_TrzD) 		5 ILE A 257
ILE A 150
SER A 152
LEU A 228
HIS A 259
 None
 1.22A 3o1cA-4bvtA:
undetectable		 3o1cA-4bvtA:
16.84
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 3o1cA-4eguA:
19.1		 3o1cA-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 3o1cA-4ffuA:
undetectable		 3o1cA-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
 1.21A 3o1cA-4fgvA:
undetectable		 3o1cA-4fgvA:
7.24
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.
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
 1.16A 3o1cA-4g1cA:
undetectable		 3o1cA-4g1cA:
19.48
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.
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)
 1.19A 3o1cA-4gvlA:
undetectable		 3o1cA-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.
4gwn MEPRIN A SUBUNIT
BETA

(Homo sapiens) 		PF00629
(MAM)
PF01400
(Astacin) 		5 PHE A 437
ILE A 434
ILE A 475
LEU A 467
HIS A 565
 None
 1.28A 3o1cA-4gwnA:
undetectable		 3o1cA-4gwnA:
13.25
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 3o1cA-4gx0A:
undetectable		 3o1cA-4gx0A:
12.19
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.
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 3o1cA-4jhvA:
undetectable		 3o1cA-4jhvA:
13.33
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.
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
 1.20A 3o1cA-4jsoA:
undetectable		 3o1cA-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
 1.27A 3o1cA-4m7sA:
undetectable		 3o1cA-4m7sA:
16.61
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.
4myc IRON-SULFUR CLUSTERS
TRANSPORTER ATM1,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 ILE A 643
PHE A 457
ILE A 459
ILE A 629
SER A 476
 None
 1.13A 3o1cA-4mycA:
undetectable		 3o1cA-4mycA:
11.87
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)
 0.59A 3o1cA-4njzA:
21.9		 3o1cA-4njzA:
47.85
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.
4oj2 AQUAPORIN-2

(Homo sapiens) 		PF00230
(MIP) 		5 ILE X  67
PHE X  23
ILE X 164
SER X 167
HIS X 172
 None
 1.14A 3o1cA-4oj2X:
undetectable		 3o1cA-4oj2X:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oj5 TAILSPIKE PROTEIN

(Escherichia
virus CBA120) 		no annotation 5 ILE A 326
ILE A 284
SER A 285
LEU A 374
HIS A 384
 None
 1.07A 3o1cA-4oj5A:
undetectable		 3o1cA-4oj5A:
9.71
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.
4r2m UNIVERSAL STRESS
PROTEIN F

(Salmonella
enterica) 		PF00582
(Usp) 		5 PHE A  37
ILE A  76
ILE A  21
SER A  22
LEU A  81
 None
 1.26A 3o1cA-4r2mA:
undetectable		 3o1cA-4r2mA:
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.
4rgw TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 1

(Homo sapiens) 		PF12157
(DUF3591) 		5 ILE A 721
ILE A 773
ASP A 799
ILE A 700
LEU A 775
 None
None
GOL  A1301 (-4.4A)
None
None
 1.05A 3o1cA-4rgwA:
undetectable		 3o1cA-4rgwA:
11.69
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.
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 3o1cA-4uc0A:
undetectable		 3o1cA-4uc0A:
19.19
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.
4win GMP SYNTHETASE

(Plasmodium
falciparum) 		PF00117
(GATase) 		5 ILE A  83
PHE A  78
ILE A  85
ILE A   9
LEU A  12
 None
 1.07A 3o1cA-4winA:
undetectable		 3o1cA-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)
 0.42A 3o1cA-4xbaA:
8.0		 3o1cA-4xbaA:
18.72
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
 0.42A 3o1cA-4zglA:
16.4		 3o1cA-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 3o1cA-4zrxA:
undetectable		 3o1cA-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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 PHE A 431
ASP A 478
ILE A 587
SER A 586
LEU A 445
 None
 1.24A 3o1cA-5a31A:
undetectable		 3o1cA-5a31A:
6.57
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.
5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		5 ILE A  39
PHE A  94
ILE A  90
SER A 155
LEU A 231
 None
 1.20A 3o1cA-5bqnA:
undetectable		 3o1cA-5bqnA:
8.80
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.
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
 0.55A 3o1cA-5cs2A:
10.2		 3o1cA-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.
5fur TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 1

(Homo sapiens) 		PF12157
(DUF3591) 		5 ILE G 721
ILE G 773
ASP G 799
ILE G 700
LEU G 775
 None
 1.04A 3o1cA-5furG:
undetectable		 3o1cA-5furG:
4.33
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.
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 3o1cA-5h3cA:
undetectable		 3o1cA-5h3cA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i2g DIOL DEHYDRATASE

(Roseburia
inulinivorans) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ILE A 777
PHE A 773
ILE A 774
ILE A 383
SER A 382
 None
 1.15A 3o1cA-5i2gA:
undetectable		 3o1cA-5i2gA:
9.63
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.
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
 1.22A 3o1cA-5ivw3:
undetectable		 3o1cA-5ivw3:
17.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3o1cA-5j4fA:
undetectable		 3o1cA-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)
 1.15A 3o1cA-5km5A:
18.4		 3o1cA-5km5A:
56.12
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.
5mhr VIRAL ATTACHMENT
PROTEIN SIGMA 1

(Reovirus sp.) 		PF01664
(Reo_sigma1) 		5 PHE A 370
ILE A 348
SER A 449
LEU A 426
SER A 339
 None
 1.12A 3o1cA-5mhrA:
undetectable		 3o1cA-5mhrA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.21A 3o1cA-5ojsT:
undetectable		 3o1cA-5ojsT:
2.90
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.
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)
 1.24A 3o1cA-5or4A:
undetectable		 3o1cA-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)
 0.67A 3o1cA-5uvmA:
20.1		 3o1cA-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)
 1.14A 3o1cA-5uygA:
undetectable		 3o1cA-5uygA:
15.92
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.
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 3o1cA-6ckgA:
undetectable		 3o1cA-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
 0.51A 3o1cA-6d6jA:
21.0		 3o1cA-6d6jA:
37.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6en4 SPLICING FACTOR 3B
SUBUNIT 3

(Homo sapiens) 		no annotation 5 ILE A  78
ILE A  18
ILE A  62
SER A  82
LEU A 121
 None
 0.96A 3o1cA-6en4A:
undetectable		 3o1cA-6en4A:
17.12