SIMILAR PATTERNS OF AMINO ACIDS FOR 1HSH_A_MK1A401

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.
1e9y UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		6 GLY B 452
ALA B 432
ASP B 433
ILE B  86
GLY B 429
ILE B  88
 None
 1.49A 1hshA-1e9yB:
undetectable		 1hshA-1e9yB:
10.97
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.
1efv ELECTRON TRANSFER
FLAVOPROTEIN

(Homo sapiens) 		PF00766
(ETF_alpha)
PF01012
(ETF) 		6 ALA A 305
ASP A 302
ILE A 280
ILE A 315
ILE A 296
ILE A 307
 FAD  A 599 ( 4.2A)
None
FAD  A 599 (-4.3A)
None
None
None
 1.42A 1hshA-1efvA:
undetectable		 1hshA-1efvA:
15.06
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.
1fue FLAVODOXIN

(Helicobacter
pylori) 		PF00258
(Flavodoxin_1) 		6 GLY A  85
ALA A  52
VAL A  34
ILE A   6
ILE A  81
ILE A 103
 None
 1.35A 1hshA-1fueA:
undetectable		 1hshA-1fueA:
18.90
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.
1gt9 KUMAMOLYSIN

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		6 GLY 1  92
ALA 1  93
ILE 1 124
PRO 1 282
ILE 1  30
ILE 1  28
 None
 1.40A 1hshA-1gt91:
undetectable		 1hshA-1gt91:
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.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.77A 1hshA-1hvcA:
12.7		 1hshA-1hvcA:
27.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  29
GLY A  48
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 (-3.6A)
A79  A 800 (-3.6A)
 0.74A 1hshA-1hvcA:
12.7		 1hshA-1hvcA:
27.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.53A 1hshA-1hvcA:
12.7		 1hshA-1hvcA:
27.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.47A 1hshA-1hvcA:
12.7		 1hshA-1hvcA:
27.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1llu ALCOHOL
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 GLY A 239
ALA A 237
ILE A 254
PRO A 226
ILE A 200
ILE A 230
 None
 1.35A 1hshA-1lluA:
undetectable		 1hshA-1lluA:
18.15
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.
1lm5 SUBDOMAIN OF
DESMOPLAKIN
CARBOXY-TERMINAL
DOMAIN (DPCT)

(Homo sapiens) 		PF00681
(Plectin) 		5 ALA A2805
ILE A2631
GLY A2640
ILE A2633
ILE A2622
 None
 0.80A 1hshA-1lm5A:
undetectable		 1hshA-1lm5A:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nfg D-HYDANTOINASE

(Ralstonia
pickettii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		6 GLY A 431
ALA A 388
ILE A 382
GLY A  22
ILE A   4
ILE A 390
 None
 1.24A 1hshA-1nfgA:
undetectable		 1hshA-1nfgA:
11.92
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.
1o2d ALCOHOL
DEHYDROGENASE,
IRON-CONTAINING

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		6 GLY A 139
ALA A 190
ASP A 189
GLY A 244
ILE A 217
ILE A 218
 None
None
FE  A 900 ( 2.5A)
None
None
None
 1.35A 1hshA-1o2dA:
undetectable		 1hshA-1o2dA:
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.
1q5a EP-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		5 VAL A 117
GLY A 115
ILE A 208
ILE A 165
ILE A 172
 None
None
NAG  A 801 ( 4.7A)
None
None
 0.83A 1hshA-1q5aA:
undetectable		 1hshA-1q5aA:
8.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 None
 0.81A 1hshA-1q9pA:
10.1		 1hshA-1q9pA:
49.47
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.
1rp0 THIAZOLE
BIOSYNTHETIC ENZYME

(Arabidopsis
thaliana) 		PF01946
(Thi4) 		5 GLY A 194
ALA A 195
ILE A 246
VAL A 238
GLY A 240
 None
None
None
None
AHZ  A 600 (-3.5A)
 0.71A 1hshA-1rp0A:
undetectable		 1hshA-1rp0A:
17.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		8 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  82
ILE A  84
 None
 1.24A 1hshA-1sivA:
20.2		 1hshA-1sivA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		12 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
VAL A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  82
ILE A  84
 None
 0.57A 1hshA-1sivA:
20.2		 1hshA-1sivA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  32
GLY A  48
PRO A  81
ILE A  82
ILE A  84
 None
 0.80A 1hshA-1sivA:
20.2		 1hshA-1sivA:
86.87
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.
1u7w COENZYME A
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
COABC

(Escherichia
coli) 		PF04127
(DFP) 		6 GLY A 228
ALA A 229
ILE A 270
VAL A 397
ILE A 193
ILE A 191
 None
 1.28A 1hshA-1u7wA:
undetectable		 1hshA-1u7wA:
18.14
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.
1vc4 INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF00218
(IGPS) 		6 ALA A 232
ASP A 231
VAL A 177
GLY A 179
ILE A 180
ILE A  49
 None
 1.12A 1hshA-1vc4A:
undetectable		 1hshA-1vc4A:
17.96
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.
1vgw 4-DIPHOSPHOCYTIDYL-2
C-METHYL-D-ERYTHRITO
L SYNTHASE

(Neisseria
gonorrhoeae) 		PF01128
(IspD) 		5 GLY A 173
ALA A 172
ASP A 103
ILE A   6
ILE A 105
 None
 0.86A 1hshA-1vgwA:
undetectable		 1hshA-1vgwA:
24.20
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.
1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, BETA
SUBUNIT

(Geobacillus
stearothermophilus) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ILE B 168
VAL B 136
PRO B 166
ILE B 112
ILE B 114
 None
 0.88A 1hshA-1w85B:
undetectable		 1hshA-1w85B:
14.20
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.
1wky ENDO-BETA-1,4-MANNAN
ASE

(Bacillus sp.
JAMB-602) 		PF00150
(Cellulase) 		5 ALA A 175
ILE A 190
VAL A 209
ILE A 153
ILE A 155
 None
 0.79A 1hshA-1wkyA:
undetectable		 1hshA-1wkyA:
13.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xe1 HYPOTHETICAL PROTEIN
PF0907

(Pyrococcus
furiosus) 		PF14578
(GTP_EFTU_D4) 		6 GLY A  66
ASP A  41
ILE A  43
VAL A  97
ILE A  86
ILE A  88
 None
 1.32A 1hshA-1xe1A:
undetectable		 1hshA-1xe1A:
26.45
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.
1z7s HUMAN COXSACKIEVIRUS
A21

(Enterovirus C) 		PF00073
(Rhv) 		6 GLY 2 188
ALA 2 190
ILE 2 127
VAL 2 230
GLY 2 123
ILE 2 197
 None
 1.39A 1hshA-1z7s2:
undetectable		 1hshA-1z7s2:
17.56
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.
2au1 IGG-DEGRADING
PROTEASE

(Streptococcus
pyogenes) 		PF09028
(Mac-1) 		5 GLY A 268
ALA A 269
ASP A 270
VAL A 298
ILE A 239
 None
 0.85A 1hshA-2au1A:
undetectable		 1hshA-2au1A:
16.21
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.
2b0r POSSIBLE ADENYL
CYCLASE-ASSOCIATED
PROTEIN

(Cryptosporidium
parvum) 		PF08603
(CAP_C) 		5 ILE A  94
VAL A  87
ILE A 103
ILE A 115
ILE A 113
 None
 0.87A 1hshA-2b0rA:
undetectable		 1hshA-2b0rA:
22.51
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.
2bc0 NADH OXIDASE

(Streptococcus
pyogenes) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 453
ALA A 454
ASP A 456
ILE A 387
ILE A 426
 None
 0.83A 1hshA-2bc0A:
undetectable		 1hshA-2bc0A:
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.
2cy8 D-PHENYLGLYCINE
AMINOTRANSFERASE

(Pseudomonas
stutzeri) 		PF00202
(Aminotran_3) 		5 ALA A 129
VAL A 286
GLY A 282
ILE A 113
ILE A 239
 None
 0.85A 1hshA-2cy8A:
undetectable		 1hshA-2cy8A:
11.82
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.
2czd OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Pyrococcus
horikoshii) 		PF00215
(OMPdecase) 		6 GLY A  76
ALA A  77
ASP A  41
ILE A  42
ILE A  70
ILE A  43
 None
 1.35A 1hshA-2czdA:
undetectable		 1hshA-2czdA:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f31 DIAPHANOUS PROTEIN
HOMOLOG 1

(Mus musculus) 		PF06367
(Drf_FH3)
PF06371
(Drf_GBD) 		5 ALA A 238
ILE A 208
GLY A 231
ILE A 232
ILE A 209
 None
 0.86A 1hshA-2f31A:
undetectable		 1hshA-2f31A:
17.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  54
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.2A)
 0.80A 1hshA-2fmbA:
15.6		 1hshA-2fmbA:
37.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.30A 1hshA-2fmbA:
15.6		 1hshA-2fmbA:
37.61
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.
2g5t DIPEPTIDYL PEPTIDASE
4

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 ASP A 136
ILE A 143
ILE A 176
ILE A 148
ILE A 134
 None
 0.72A 1hshA-2g5tA:
undetectable		 1hshA-2g5tA:
9.98
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.
2i8l HYDROGENASE 3
MATURATION PROTEASE

(Escherichia
coli) 		PF01750
(HycI) 		6 GLY A  19
ALA A  18
ASP A  16
ILE A  60
ILE A  73
ILE A 113
 None
 1.21A 1hshA-2i8lA:
undetectable		 1hshA-2i8lA:
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.
2iht CARBOXYETHYLARGININE
SYNTHASE

(Streptomyces
clavuligerus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		6 GLY A 462
ALA A 461
ASP A 409
VAL A 407
ILE A 388
ILE A 555
 TPP  A 600 (-3.4A)
None
None
None
None
None
 1.32A 1hshA-2ihtA:
undetectable		 1hshA-2ihtA:
10.99
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.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 GLY A 190
ALA A 189
GLY A 183
ILE A 180
PRO A 296
 None
None
PLP  A 400 (-3.4A)
PLP  A 400 (-4.9A)
PLP  A 400 (-4.0A)
 0.73A 1hshA-2isqA:
undetectable		 1hshA-2isqA:
18.30
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.
2pa6 ENOLASE

(Methanocaldococcus
jannaschii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		6 GLY A 177
ALA A 178
ILE A 181
VAL A 185
GLY A 188
ILE A 173
 None
 1.40A 1hshA-2pa6A:
undetectable		 1hshA-2pa6A:
13.00
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.
2po2 PROBABLE EXOSOME
COMPLEX EXONUCLEASE
2

(Pyrococcus
abyssi) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 ALA B 159
VAL B 194
GLY B 154
ILE B 153
ILE B  38
 None
 0.84A 1hshA-2po2B:
undetectable		 1hshA-2po2B:
15.99
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.
2ptz ENOLASE

(Trypanosoma
brucei) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		6 GLY A 199
ALA A 202
ASP A 201
PRO A 221
ILE A 224
ILE A 194
 None
 1.46A 1hshA-2ptzA:
undetectable		 1hshA-2ptzA:
15.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qm3 PREDICTED
METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF01861
(DUF43) 		5 GLY A 195
ASP A 198
ILE A 174
GLY A 169
ILE A 163
 None
 0.83A 1hshA-2qm3A:
undetectable		 1hshA-2qm3A:
14.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ILE A  32
GLY A  48
PRO A  81
ILE A  84
 AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.5A)
AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.82A 1hshA-2rkfA:
18.8		 1hshA-2rkfA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
VAL A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.5A)
AB1  A 501 ( 4.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.47A 1hshA-2rkfA:
18.8		 1hshA-2rkfA:
49.49
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.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		6 ASP A  37
GLY A  39
ALA A  40
ASP A  41
ILE A  44
ILE A 108
 None
 0.46A 1hshA-2rspA:
12.5		 1hshA-2rspA:
29.13
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.
2w3j CARBOHYDRATE BINDING
MODULE

(uncultured
bacterium) 		PF16990
(CBM_35) 		6 GLY A  60
ASP A  32
ILE A  31
GLY A  29
ILE A 124
ILE A 121
 None
CA  A1138 (-3.3A)
None
CA  A1139 (-4.4A)
None
None
 1.40A 1hshA-2w3jA:
undetectable		 1hshA-2w3jA:
20.42
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.
2yxe PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Methanocaldococcus
jannaschii) 		PF01135
(PCMT) 		5 GLY A 140
ASP A 136
GLY A  85
ILE A 131
ILE A 133
 None
 0.84A 1hshA-2yxeA:
undetectable		 1hshA-2yxeA:
21.51
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.
3bio OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Porphyromonas
gingivalis) 		PF01408
(GFO_IDH_MocA)
PF16654
(DAPDH_C) 		6 GLY A  35
ALA A  10
ILE A  82
VAL A  68
GLY A  13
ILE A  57
 None
 1.12A 1hshA-3bioA:
undetectable		 1hshA-3bioA:
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.
3cwc PUTATIVE GLYCERATE
KINASE 2

(Salmonella
enterica) 		PF02595
(Gly_kinase) 		6 GLY A 251
ALA A 250
VAL A 194
GLY A 246
ILE A 131
ILE A 133
 None
 1.17A 1hshA-3cwcA:
undetectable		 1hshA-3cwcA:
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.
3czq PUTATIVE
POLYPHOSPHATE KINASE
2

(Sinorhizobium
meliloti) 		PF03976
(PPK2) 		5 GLY A  99
ALA A 100
ILE A 254
ILE A 197
ILE A 195
 GOL  A 303 (-4.3A)
None
None
None
None
 0.77A 1hshA-3czqA:
undetectable		 1hshA-3czqA:
13.49
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.
3ep1 PGRP-HD -
PEPTIDOGLYCAN
RECOGNITION PROTEIN
HOMOLOGUE

(Alvinella
pompejana) 		PF01510
(Amidase_2) 		6 GLY A 221
ALA A 222
ILE A 184
GLY A 212
ILE A 210
ILE A 102
 None
 1.21A 1hshA-3ep1A:
undetectable		 1hshA-3ep1A:
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.
3f6m 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Yersinia pestis) 		PF02542
(YgbB) 		6 GLY A  39
ASP A   8
GLY A 147
PRO A 105
ILE A  27
ILE A  22
 None
 1.20A 1hshA-3f6mA:
undetectable		 1hshA-3f6mA:
20.73
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.
3f6m 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Yersinia pestis) 		PF02542
(YgbB) 		6 GLY A  39
ASP A   8
ILE A 100
GLY A 147
PRO A 105
ILE A  22
 None
 1.22A 1hshA-3f6mA:
undetectable		 1hshA-3f6mA:
20.73
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.
3gla LOW MOLECULAR WEIGHT
HEAT SHOCK PROTEIN

(Xanthomonas
citri) 		PF00011
(HSP20) 		5 ASP A 118
GLY A  76
ILE A  77
ILE A 131
ILE A 120
 None
 0.81A 1hshA-3glaA:
undetectable		 1hshA-3glaA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hdf LYSOZYME

(Escherichia
virus Lambda) 		PF00959
(Phage_lysozyme) 		6 ALA A 131
ASP A 127
GLY A 163
PRO A  95
ILE A  94
ILE A 123
 None
 1.32A 1hshA-3hdfA:
undetectable		 1hshA-3hdfA:
22.60
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A'

(Sulfolobus
solfataricus) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 GLY A 712
ALA A 711
ILE A 665
GLY A 748
ILE A 661
 None
 0.86A 1hshA-3hkzA:
undetectable		 1hshA-3hkzA:
7.70
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		6 GLY A 264
ALA A 265
ASP A 266
GLY A 460
ILE A 459
ILE A 224
 None
 0.98A 1hshA-3i5gA:
undetectable		 1hshA-3i5gA:
8.46
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.
3jsk CYPBP37 PROTEIN

(Neurospora
crassa) 		PF01946
(Thi4) 		5 GLY A 254
ALA A 255
ILE A 306
VAL A 298
GLY A 300
 AHZ  A 500 ( 4.3A)
None
None
None
AHZ  A 500 (-3.5A)
 0.76A 1hshA-3jskA:
undetectable		 1hshA-3jskA:
17.13
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.
3jsk CYPBP37 PROTEIN

(Neurospora
crassa) 		PF01946
(Thi4) 		6 GLY A 323
ALA A  94
ILE A 109
VAL A 170
ILE A  82
ILE A  84
 None
 1.44A 1hshA-3jskA:
undetectable		 1hshA-3jskA:
17.13
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.
3k92 NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		6 GLY A 244
ALA A 245
ILE A 298
VAL A 212
ILE A 226
ILE A 224
 None
 1.02A 1hshA-3k92A:
undetectable		 1hshA-3k92A:
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.
3kw3 ALANINE RACEMASE

(Bartonella
henselae) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLY A 299
ILE A 283
VAL A 336
ILE A 339
ILE A 319
 None
 0.82A 1hshA-3kw3A:
undetectable		 1hshA-3kw3A:
14.21
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.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		6 GLY A 723
ALA A 703
ASP A 704
ILE A 357
GLY A 700
ILE A 359
 None
 1.44A 1hshA-3la4A:
undetectable		 1hshA-3la4A:
8.46
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.
3mp7 PREPROTEIN
TRANSLOCASE SUBUNIT
SECY

(Pyrococcus
furiosus) 		PF00344
(SecY)
PF10559
(Plug_translocon) 		5 ILE A 290
VAL A  65
GLY A 435
ILE A 436
ILE A 289
 None
 0.82A 1hshA-3mp7A:
undetectable		 1hshA-3mp7A:
12.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 None
 0.85A 1hshA-3mwsA:
19.0		 1hshA-3mwsA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
 1.39A 1hshA-3mwsA:
19.0		 1hshA-3mwsA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 None
 0.55A 1hshA-3mwsA:
19.0		 1hshA-3mwsA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.64A 1hshA-3mwsA:
19.0		 1hshA-3mwsA:
48.48
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.
3n9x PHOSPHOTRANSFERASE

(Plasmodium
berghei) 		PF00069
(Pkinase) 		6 GLY A 174
ALA A 176
ILE A 145
VAL A 170
ILE A 381
ILE A 150
 None
 1.37A 1hshA-3n9xA:
undetectable		 1hshA-3n9xA:
12.77
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 GLY A 414
ALA A 415
ASP A 416
ILE A 375
ILE A 452
 None
 0.85A 1hshA-3o8oA:
undetectable		 1hshA-3o8oA:
7.75
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.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 269
ALA A 268
ILE A 331
ILE A 348
ILE A 330
 NAD  A 501 (-3.6A)
NAD  A 501 ( 4.8A)
None
NAD  A 501 (-4.4A)
NAD  A 501 (-4.8A)
 0.81A 1hshA-3oneA:
undetectable		 1hshA-3oneA:
13.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 GLY A 419
ALA A 420
ASP A 421
ILE A 380
ILE A 457
 None
 0.83A 1hshA-3opyA:
undetectable		 1hshA-3opyA:
7.77
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.
3p3v PTS SYSTEM,
N-ACETYLGALACTOSAMIN
E-SPECIFIC IIB
COMPONENT

(Streptococcus
pyogenes) 		PF03830
(PTSIIB_sorb) 		6 ALA A  35
ASP A  89
ILE A  70
PRO A  99
ILE A   6
ILE A  82
 None
 1.23A 1hshA-3p3vA:
undetectable		 1hshA-3p3vA:
20.50
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.
3p9n POSSIBLE
METHYLTRANSFERASE
(METHYLASE)

(Mycobacterium
tuberculosis) 		PF03602
(Cons_hypoth95) 		5 GLY A  93
ALA A  94
ILE A  82
GLY A  58
ILE A  86
 None
 0.86A 1hshA-3p9nA:
undetectable		 1hshA-3p9nA:
18.46
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.
3pqd L-LACTATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 GLY A 266
ALA A 267
ASP A 268
GLY A 304
ILE A 175
ILE A 272
 None
 1.42A 1hshA-3pqdA:
undetectable		 1hshA-3pqdA:
14.84
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.
3q94 FRUCTOSE-BISPHOSPHAT
E ALDOLASE, CLASS II

(Bacillus
anthracis) 		PF01116
(F_bP_aldolase) 		5 GLY A 274
ILE A  34
VAL A  45
GLY A  21
ILE A 230
 None
 0.66A 1hshA-3q94A:
undetectable		 1hshA-3q94A:
16.90
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.
3r2u METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		6 ASP A  67
ASP A  34
ILE A  32
GLY A 335
ILE A 252
ILE A  65
 None
 1.47A 1hshA-3r2uA:
undetectable		 1hshA-3r2uA:
11.40
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
VAL A  54
GLY A  56
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
3TL  A 126 (-3.3A)
3TL  A 126 (-3.4A)
 0.34A 1hshA-3slzA:
12.3		 1hshA-3slzA:
25.71
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.
3sti PROTEASE DEGQ

(Escherichia
coli) 		PF13365
(Trypsin_2) 		5 ALA A  25
VAL A 144
GLY A 189
ILE A 129
ILE A 127
 None
 0.79A 1hshA-3stiA:
undetectable		 1hshA-3stiA:
25.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.58A 1hshA-3t3cA:
18.1		 1hshA-3t3cA:
50.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
017  A 201 (-4.0A)
None
 0.65A 1hshA-3t3cA:
18.1		 1hshA-3t3cA:
50.51
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.
3t44 INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00218
(IGPS) 		5 ALA A 238
ASP A 237
VAL A 185
GLY A 187
ILE A  55
 None
 0.84A 1hshA-3t44A:
undetectable		 1hshA-3t44A:
15.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
ILE A  32
GLY A  48
ILE A  84
 017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
None
None
017  A 201 (-4.7A)
 0.85A 1hshA-3ttpA:
19.3		 1hshA-3ttpA:
52.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
VAL A  47
GLY A  49
ILE A  50
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
None
017  A 201 ( 4.9A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.7A)
 0.64A 1hshA-3ttpA:
19.3		 1hshA-3ttpA:
52.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
VAL A  47
GLY A  49
PRO A  81
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
None
017  A 201 ( 4.9A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.51A 1hshA-3ttpA:
19.3		 1hshA-3ttpA:
52.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
GLY A  49
ILE A  50
 017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
None
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 0.50A 1hshA-3u7sA:
19.0		 1hshA-3u7sA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
GLY A  49
PRO A  81
 017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
None
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.41A 1hshA-3u7sA:
19.0		 1hshA-3u7sA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  32
PRO A  81
 None
 0.53A 1hshA-3uhlA:
16.4		 1hshA-3uhlA:
49.49
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.
3uwc NUCLEOTIDE-SUGAR
AMINOTRANSFERASE

(Coxiella
burnetii) 		PF01041
(DegT_DnrJ_EryC1) 		6 GLY A  59
ALA A  62
ASP A  61
ILE A  54
ILE A 196
ILE A 195
 PMP  A 377 (-3.5A)
None
None
None
None
None
 1.42A 1hshA-3uwcA:
undetectable		 1hshA-3uwcA:
13.86
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.
3vcn MANNONATE
DEHYDRATASE

(Caulobacter
vibrioides) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  33
ALA A  89
GLY A 292
ILE A 293
ILE A  67
 None
 0.80A 1hshA-3vcnA:
undetectable		 1hshA-3vcnA:
14.29
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.
4aip FE-REGULATED PROTEIN
B

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLY A 165
ALA A 166
ASP A 118
GLY A 159
ILE A 168
 None
 0.87A 1hshA-4aipA:
undetectable		 1hshA-4aipA:
9.21
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.
4ao7 ESTERASE

(unidentified) 		PF12146
(Hydrolase_4) 		5 ALA A 125
VAL A  26
ILE A 119
PRO A  82
ILE A  79
 None
 0.87A 1hshA-4ao7A:
undetectable		 1hshA-4ao7A:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e4f MANNONATE
DEHYDRATASE

(Pectobacterium
carotovorum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  32
ALA A  88
GLY A 293
ILE A 294
ILE A  66
 None
 0.81A 1hshA-4e4fA:
undetectable		 1hshA-4e4fA:
12.44
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.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		6 GLY B 723
ALA B 703
ASP B 704
ILE B 357
GLY B 700
ILE B 359
 None
 1.47A 1hshA-4g7eB:
undetectable		 1hshA-4g7eB:
10.03
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.
4hvl MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
thermoresistibile) 		PF00082
(Peptidase_S8) 		5 GLY A 195
ALA A 196
GLY A 106
ILE A 188
ILE A 199
 None
 0.79A 1hshA-4hvlA:
undetectable		 1hshA-4hvlA:
13.83
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.
4il2 STARVATION SENSING
PROTEIN RSPA

(Escherichia
coli) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  43
ALA A  99
GLY A 304
ILE A 305
ILE A  77
 None
 0.84A 1hshA-4il2A:
undetectable		 1hshA-4il2A:
10.80
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.
4iql ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE
II

(Porphyromonas
gingivalis) 		PF03060
(NMO) 		5 GLY A  43
ALA A  42
ILE A  83
VAL A  91
ILE A  79
 FMN  A 401 (-4.8A)
None
None
None
None
 0.84A 1hshA-4iqlA:
undetectable		 1hshA-4iqlA:
15.72
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.
4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Xanthobacter
autotrophicus) 		PF13561
(adh_short_C2) 		5 GLY A 118
ASP A  64
GLY A  14
ILE A  75
ILE A  71
 None
NAI  A 301 (-3.6A)
NAI  A 301 (-3.3A)
None
None
 0.86A 1hshA-4ituA:
undetectable		 1hshA-4ituA:
17.84
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.
4j9v POTASSIUM UPTAKE
PROTEIN TRKA

(Vibrio
parahaemolyticus) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 ILE A   3
VAL A 362
ILE A 355
ILE A  28
ILE A  26
 None
 0.83A 1hshA-4j9vA:
undetectable		 1hshA-4j9vA:
16.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jjp PHOSPHOMETHYLPYRIMID
INE KINASE

(Clostridioides
difficile) 		PF08543
(Phos_pyr_kin) 		5 ILE A  88
GLY A  13
ILE A  22
ILE A  66
ILE A  92
 None
 0.87A 1hshA-4jjpA:
undetectable		 1hshA-4jjpA:
18.67
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.
4lsm GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE,
CYTOSOLIC

(Trypanosoma
cruzi) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA A  27
ILE A  11
VAL A 332
ILE A  38
ILE A  35
 None
 0.87A 1hshA-4lsmA:
undetectable		 1hshA-4lsmA:
14.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 261
ALA A 260
ILE A 323
ILE A 340
ILE A 322
 NAD  A 503 ( 3.8A)
NAD  A 503 ( 4.7A)
None
NAD  A 503 (-4.3A)
NAD  A 503 (-4.7A)
 0.86A 1hshA-4lvcA:
undetectable		 1hshA-4lvcA:
13.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dkg MOLECULAR CHAPERONE
DNAK

(Escherichia
coli) 		PF00012
(HSP70) 		5 ALA D 153
GLY D 158
ILE D 160
ILE D  69
ILE D  73
 None
 0.73A 1hshB-1dkgD:
undetectable		 1hshB-1dkgD:
15.74
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.
1fhu O-SUCCINYLBENZOATE
SYNTHASE

(Escherichia
coli) 		PF13378
(MR_MLE_C) 		5 ALA A 175
ILE A 186
VAL A 146
ILE A 210
ILE A 208
 None
 0.88A 1hshB-1fhuA:
undetectable		 1hshB-1fhuA:
15.44
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.
1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Escherichia
coli) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 ILE A 202
GLY A 127
ILE A 174
ILE A 198
ILE A 201
 ILE  A 202 ( 0.7A)
GLY  A 127 ( 0.0A)
ILE  A 174 ( 0.7A)
ILE  A 198 ( 0.4A)
ILE  A 201 ( 0.6A)
 0.94A 1hshB-1fxjA:
undetectable		 1hshB-1fxjA:
16.72
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.
1gll GLYCEROL KINASE

(Escherichia
coli) 		no annotation 5 ALA Y 444
GLY Y 241
ILE Y  79
ILE Y  74
ILE Y   6
 None
 0.97A 1hshB-1gllY:
undetectable		 1hshB-1gllY:
12.83
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.
1gpl RP2 LIPASE

(Cavia porcellus) 		PF00151
(Lipase)
PF01477
(PLAT) 		6 ASP A 195
ILE A 148
VAL A 128
GLY A 125
ILE A 121
ILE A 172
 CA  A 500 (-2.3A)
None
None
None
None
None
 1.50A 1hshB-1gplA:
undetectable		 1hshB-1gplA:
13.76
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.
1hcy ARTHROPODAN
HEMOCYANIN

(Panulirus
interruptus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 ILE A 305
GLY A 320
ILE A 321
ILE A 296
ILE A 327
 None
 0.90A 1hshB-1hcyA:
undetectable		 1hshB-1hcyA:
9.45
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.
1hf2 SEPTUM
SITE-DETERMINING
PROTEIN MINC

(Thermotoga
maritima) 		PF03775
(MinC_C) 		5 ALA A 134
ILE A 148
ILE A 121
ILE A 108
ILE A 132
 None
 0.92A 1hshB-1hf2A:
undetectable		 1hshB-1hf2A:
21.08
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.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.60A 1hshB-1hvcA:
12.6		 1hshB-1hvcA:
27.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.61A 1hshB-1hvcA:
12.6		 1hshB-1hvcA:
27.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kz1 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

(Schizosaccharomyces
pombe) 		PF00885
(DMRL_synthase) 		5 ALA A 150
GLY A  83
ILE A  84
ILE A  54
ILE A  20
 None
 0.93A 1hshB-1kz1A:
undetectable		 1hshB-1kz1A:
25.81
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.
1l1n GENOME POLYPROTEIN:
PICORNAIN 3C

(Enterovirus C) 		PF00548
(Peptidase_C3) 		5 ILE A  49
VAL A  16
ILE A  36
ILE A  56
ILE A  47
 None
 0.90A 1hshB-1l1nA:
undetectable		 1hshB-1l1nA:
25.14
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.
1lm5 SUBDOMAIN OF
DESMOPLAKIN
CARBOXY-TERMINAL
DOMAIN (DPCT)

(Homo sapiens) 		PF00681
(Plectin) 		5 ALA A2805
ILE A2631
GLY A2640
ILE A2633
ILE A2622
 None
 0.88A 1hshB-1lm5A:
undetectable		 1hshB-1lm5A:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rfz HYPOTHETICAL PROTEIN
APC35681

(Geobacillus
stearothermophilus) 		PF04608
(PgpA) 		5 ILE A 104
GLY A  67
ILE A  68
ILE A  55
ILE A 149
 None
 0.95A 1hshB-1rfzA:
undetectable		 1hshB-1rfzA:
23.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rvv RIBOFLAVIN SYNTHASE

(Bacillus
subtilis) 		no annotation 5 ALA A  34
ILE A  15
VAL A  43
ILE A 112
ILE A  76
 None
 0.84A 1hshB-1rvvA:
undetectable		 1hshB-1rvvA:
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.
1sei RIBOSOMAL PROTEIN S8

(Geobacillus
stearothermophilus) 		PF00410
(Ribosomal_S8) 		5 ILE A  31
VAL A   1
ILE A 125
ILE A  38
ILE A  35
 None
 0.90A 1hshB-1seiA:
undetectable		 1hshB-1seiA:
20.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ILE A  32
GLY A  48
PRO A  81
ILE A  82
ILE A  84
 None
 0.75A 1hshB-1sivA:
20.4		 1hshB-1sivA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		9 ASP A  25
ALA A  28
ILE A  32
VAL A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  82
ILE A  84
 None
 0.76A 1hshB-1sivA:
20.4		 1hshB-1sivA:
86.87
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.
1wky ENDO-BETA-1,4-MANNAN
ASE

(Bacillus sp.
JAMB-602) 		PF00150
(Cellulase) 		5 ALA A 175
ILE A 190
VAL A 209
ILE A 153
ILE A 155
 None
 0.83A 1hshB-1wkyA:
undetectable		 1hshB-1wkyA:
13.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aam HYPOTHETICAL PROTEIN
TM1410

(Thermotoga
maritima) 		PF03537
(Glyco_hydro_114) 		5 ILE A  92
ILE A 180
PRO A 201
ILE A 199
ILE A 186
 None
 0.89A 1hshB-2aamA:
undetectable		 1hshB-2aamA:
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.
2bty ACETYLGLUTAMATE
KINASE

(Thermotoga
maritima) 		PF00696
(AA_kinase) 		5 ILE A 165
GLY A 169
ILE A 170
ILE A 152
ILE A 120
 None
 0.77A 1hshB-2btyA:
undetectable		 1hshB-2btyA:
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.
2f31 DIAPHANOUS PROTEIN
HOMOLOG 1

(Mus musculus) 		PF06367
(Drf_FH3)
PF06371
(Drf_GBD) 		5 ALA A 238
ILE A 208
GLY A 231
ILE A 232
ILE A 209
 None
 0.82A 1hshB-2f31A:
undetectable		 1hshB-2f31A:
17.92
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.
2f9g MITOGEN-ACTIVATED
PROTEIN KINASE FUS3

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		5 ALA A 269
ILE A 239
ILE A 283
ILE A 222
ILE A 238
 None
 0.94A 1hshB-2f9gA:
undetectable		 1hshB-2f9gA:
16.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.45A 1hshB-2fmbA:
15.7		 1hshB-2fmbA:
37.61
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.
2h7g DNA TOPOISOMERASE 1

(Variola virus) 		PF01028
(Topoisom_I)
PF09266
(VirDNA-topo-I_N) 		5 ILE X 217
VAL X  94
ILE X 102
ILE X 219
ILE X 212
 None
 0.96A 1hshB-2h7gX:
undetectable		 1hshB-2h7gX:
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.
2ijd PICORNAIN 3C,
RNA-DIRECTED RNA
POLYMERASE

(Enterovirus C) 		PF00548
(Peptidase_C3)
PF00680
(RdRP_1) 		5 ILE 1  49
VAL 1  16
ILE 1  36
ILE 1  56
ILE 1  47
 None
 0.94A 1hshB-2ijd1:
undetectable		 1hshB-2ijd1:
10.65
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.
2iu8 UDP-3-O-[3-HYDROXYMY
RISTOYL] GLUCOSAMINE
N-ACYLTRANSFERASE

(Chlamydia
trachomatis) 		PF00132
(Hexapep)
PF04613
(LpxD) 		5 ALA A 279
ILE A 257
VAL A 243
ILE A 287
ILE A 275
 None
 0.95A 1hshB-2iu8A:
undetectable		 1hshB-2iu8A:
14.63
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.
2kho HEAT SHOCK PROTEIN
70

(Escherichia
coli) 		PF00012
(HSP70) 		5 ALA A 153
GLY A 158
ILE A 160
ILE A  69
ILE A  73
 None
 0.78A 1hshB-2khoA:
undetectable		 1hshB-2khoA:
12.85
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.
2oi6 BIFUNCTIONAL PROTEIN
GLMU

(Escherichia
coli) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 ILE A 202
GLY A 127
ILE A 174
ILE A 198
ILE A 201
 None
 0.93A 1hshB-2oi6A:
undetectable		 1hshB-2oi6A:
11.98
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.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF01979
(Amidohydro_1) 		5 ALA A  47
VAL A  61
GLY A   7
ILE A   8
ILE A  54
 None
 0.97A 1hshB-2oodA:
undetectable		 1hshB-2oodA:
13.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ILE A  32
GLY A  48
PRO A  81
ILE A  84
 AB1  A 501 (-3.5A)
AB1  A 501 (-4.5A)
AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.78A 1hshB-2rkfA:
18.6		 1hshB-2rkfA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
ALA A  28
ILE A  32
VAL A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.5A)
AB1  A 501 ( 4.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.57A 1hshB-2rkfA:
18.6		 1hshB-2rkfA:
49.49
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.
2yvt HYPOTHETICAL PROTEIN
AQ_1956

(Aquifex
aeolicus) 		PF14582
(Metallophos_3) 		5 GLY A 138
ILE A 179
PRO A 213
ILE A 208
ILE A 207
 None
 0.93A 1hshB-2yvtA:
undetectable		 1hshB-2yvtA:
17.58
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.
3clj PROTEIN NRD1

(Saccharomyces
cerevisiae) 		PF04818
(CTD_bind) 		5 ILE A  51
VAL A 104
ILE A  98
ILE A  46
ILE A  50
 None
 0.92A 1hshB-3cljA:
undetectable		 1hshB-3cljA:
20.50
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.
3dcl TM1086

(Thermotoga
maritima) 		PF14505
(DUF4438) 		6 ALA A 175
ILE A 198
VAL A 241
GLY A 239
ILE A 238
ILE A 177
 None
 1.20A 1hshB-3dclA:
undetectable		 1hshB-3dclA:
16.55
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.
3dto BH2835 PROTEIN

(Bacillus
halodurans) 		PF01966
(HD) 		5 ALA A  54
ILE A 100
ILE A  30
ILE A  61
ILE A  97
 None
 0.96A 1hshB-3dtoA:
undetectable		 1hshB-3dtoA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e4e CYTOCHROME P450 2E1

(Homo sapiens) 		PF00067
(p450) 		5 ALA A 438
ILE A 115
GLY A 300
ILE A 180
ILE A 114
 HEM  A 500 (-3.8A)
HEM  A 500 (-4.0A)
HEM  A 500 (-3.4A)
None
HEM  A 500 (-4.0A)
 0.94A 1hshB-3e4eA:
undetectable		 1hshB-3e4eA:
11.85
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.
3eg4 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-SUCCINYLTRANSFERAS
E

(Brucella suis) 		PF00132
(Hexapep)
PF14602
(Hexapep_2)
PF14805
(THDPS_N_2) 		5 ALA A 157
ILE A 185
VAL A 197
GLY A 170
ILE A 159
 None
 0.95A 1hshB-3eg4A:
undetectable		 1hshB-3eg4A:
18.21
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.
3f5f MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HEPARAN SULFATE
2-O-SULFOTRANSFERASE
1

(Escherichia
coli;
Gallus gallus) 		PF03567
(Sulfotransfer_2)
PF13416
(SBP_bac_8) 		6 ALA A 276
ILE A   9
VAL A  35
ILE A   2
ILE A  60
ILE A  59
 None
 1.49A 1hshB-3f5fA:
undetectable		 1hshB-3f5fA:
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.
3fch CARBOXYSOME SHELL
PROTEIN CSOS1D

(Prochlorococcus
marinus) 		PF00936
(BMC) 		5 ALA A 206
ILE A 253
VAL A  60
GLY A 201
ILE A 250
 None
 0.92A 1hshB-3fchA:
undetectable		 1hshB-3fchA:
15.93
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.
3g25 GLYCEROL KINASE

(Staphylococcus
aureus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ALA A 443
GLY A 240
ILE A  78
ILE A  73
ILE A   5
 None
 0.86A 1hshB-3g25A:
undetectable		 1hshB-3g25A:
13.32
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.
3gc2 O-SUCCINYLBENZOATE
SYNTHASE

(Salmonella
enterica) 		PF13378
(MR_MLE_C) 		5 ALA A 175
ILE A 186
VAL A 146
ILE A 210
ILE A 208
 None
 0.85A 1hshB-3gc2A:
undetectable		 1hshB-3gc2A:
14.55
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.
3gfa PUTATIVE
NITROREDUCTASE

(Clostridioides
difficile) 		PF00881
(Nitroreductase) 		5 ILE A 173
GLY A  32
ILE A  33
ILE A  25
ILE A  99
 None
 0.87A 1hshB-3gfaA:
undetectable		 1hshB-3gfaA:
24.12
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.
3i3a ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Leptospira
interrogans) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 ALA A  61
ILE A  94
ILE A  87
ILE A  51
ILE A  63
 None
 0.91A 1hshB-3i3aA:
undetectable		 1hshB-3i3aA:
18.42
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.
3it4 ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ ALPHA CHAIN

(Mycobacterium
tuberculosis) 		PF01960
(ArgJ) 		5 ALA A  40
VAL A  16
GLY A 157
PRO A 171
ILE A 164
 None
 0.94A 1hshB-3it4A:
undetectable		 1hshB-3it4A:
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.
3k92 NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ALA A 245
ILE A 298
VAL A 212
ILE A 226
ILE A 224
 None
 0.90A 1hshB-3k92A:
undetectable		 1hshB-3k92A:
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.
3lac PYRROLIDONE-CARBOXYL
ATE PEPTIDASE

(Bacillus
anthracis) 		PF01470
(Peptidase_C15) 		5 ILE A  79
GLY A 163
ILE A  65
ILE A 193
ILE A 166
 None
 0.95A 1hshB-3lacA:
undetectable		 1hshB-3lacA:
19.90
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.
3mp7 PREPROTEIN
TRANSLOCASE SUBUNIT
SECY

(Pyrococcus
furiosus) 		PF00344
(SecY)
PF10559
(Plug_translocon) 		5 ILE A 290
VAL A  65
GLY A 435
ILE A 436
ILE A 289
 None
 0.90A 1hshB-3mp7A:
undetectable		 1hshB-3mp7A:
12.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.70A 1hshB-3mwsA:
19.2		 1hshB-3mwsA:
48.48
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.
3oai MALTOSE-BINDING
PERIPLASMIC PROTEIN,
MYELIN PROTEIN P0

(Escherichia
coli;
Homo sapiens) 		PF07686
(V-set)
PF13416
(SBP_bac_8) 		6 ALA A 276
ILE A   9
VAL A  35
ILE A   2
ILE A  60
ILE A  59
 None
 1.48A 1hshB-3oaiA:
undetectable		 1hshB-3oaiA:
11.66
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.
3ob4 MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
ARAH 2

(Arachis
duranensis;
Escherichia
coli) 		PF00234
(Tryp_alpha_amyl)
PF13416
(SBP_bac_8) 		6 ALA A 276
ILE A   9
VAL A  35
ILE A   2
ILE A  60
ILE A  59
 None
 1.45A 1hshB-3ob4A:
undetectable		 1hshB-3ob4A:
13.01
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.
3qml 78 KDA
GLUCOSE-REGULATED
PROTEIN HOMOLOG

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		5 ALA A 203
GLY A 208
ILE A 210
ILE A 116
ILE A 120
 None
 0.78A 1hshB-3qmlA:
undetectable		 1hshB-3qmlA:
19.59
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.
3sti PROTEASE DEGQ

(Escherichia
coli) 		PF13365
(Trypsin_2) 		5 ALA A  25
VAL A 144
GLY A 189
ILE A 129
ILE A 127
 None
 0.82A 1hshB-3stiA:
undetectable		 1hshB-3stiA:
25.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
ALA A  28
ILE A  32
VAL A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
None
017  A 201 ( 4.9A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.67A 1hshB-3ttpA:
19.2		 1hshB-3ttpA:
52.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ILE A  32
GLY A  49
ILE A  50
PRO A  81
 017  A 202 ( 2.5A)
017  A 201 (-3.4A)
None
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.60A 1hshB-3u7sA:
19.1		 1hshB-3u7sA:
47.47
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.
3vnp HYPOTHETICAL
CONSERVED PROTEIN

(Geobacillus
kaustophilus) 		PF00132
(Hexapep) 		5 ILE A 102
VAL A  83
GLY A  97
ILE A 126
ILE A 108
 None
 0.97A 1hshB-3vnpA:
undetectable		 1hshB-3vnpA:
21.23
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.
4ao7 ESTERASE

(unidentified) 		PF12146
(Hydrolase_4) 		5 ALA A 125
VAL A  26
ILE A 119
PRO A  82
ILE A  79
 None
 0.96A 1hshB-4ao7A:
undetectable		 1hshB-4ao7A:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ddq DNA GYRASE SUBUNIT A

(Bacillus
subtilis) 		PF00521
(DNA_topoisoIV) 		5 ALA A 233
GLY A 215
ILE A 213
ILE A 183
ILE A 332
 None
 0.93A 1hshB-4ddqA:
undetectable		 1hshB-4ddqA:
12.39
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.
4dlo BRAIN-SPECIFIC
ANGIOGENESIS
INHIBITOR 3

(Homo sapiens) 		PF01825
(GPS)
PF02793
(HRM)
PF16489
(GAIN) 		5 ILE A 741
VAL A 790
GLY A 763
ILE A 706
ILE A 718
 None
 0.96A 1hshB-4dloA:
undetectable		 1hshB-4dloA:
15.80
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.
4e1j GLYCEROL KINASE

(Sinorhizobium
meliloti) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ALA A 467
GLY A 262
ILE A 101
ILE A  96
ILE A  28
 None
 0.93A 1hshB-4e1jA:
undetectable		 1hshB-4e1jA:
11.80
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.
4e6u ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Acinetobacter
baumannii) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 ALA A  17
ILE A  37
ILE A  30
ILE A   7
ILE A  19
 None
 0.95A 1hshB-4e6uA:
undetectable		 1hshB-4e6uA:
18.83
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.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1

(Caenorhabditis
elegans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 ALA A1190
ILE A1174
VAL A1182
ILE A1169
ILE A1173
 None
 0.93A 1hshB-4f4cA:
undetectable		 1hshB-4f4cA:
5.60
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.
4fdd TRANSPORTIN-1

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		6 ALA A 423
ILE A 398
VAL A 305
GLY A 417
ILE A 418
ILE A 424
 None
 1.15A 1hshB-4fddA:
undetectable		 1hshB-4fddA:
9.77
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.
4h1g MALTOSE BINDING
PROTEIN-CAKAR3 MOTOR
DOMAIN FUSION
PROTEIN

(Candida
albicans;
Escherichia
coli) 		PF00225
(Kinesin)
PF13416
(SBP_bac_8) 		6 ALA A -94
ILE A-361
VAL A-335
ILE A-368
ILE A-310
ILE A-311
 None
 1.43A 1hshB-4h1gA:
undetectable		 1hshB-4h1gA:
10.89
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.
4h4a MITOCHONDRIAL
CARDIOLIPIN
HYDROLASE

(Drosophila
melanogaster) 		PF13091
(PLDc_2) 		5 ALA A 103
ILE A 123
ILE A 174
ILE A  96
ILE A 100
 None
 0.95A 1hshB-4h4aA:
undetectable		 1hshB-4h4aA:
26.32
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.
4ifp MALTOSE-BINDING
PERIPLASMIC
PROTEIN,NACHT, LRR
AND PYD
DOMAINS-CONTAINING
PROTEIN 1

(Escherichia
coli;
Homo sapiens) 		PF00619
(CARD)
PF13416
(SBP_bac_8) 		6 ALA A 277
ILE A  10
VAL A  36
ILE A   3
ILE A  61
ILE A  60
 None
 1.48A 1hshB-4ifpA:
undetectable		 1hshB-4ifpA:
12.86
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.
4iig BETA-GLUCOSIDASE 1

(Aspergillus
aculeatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ALA A 127
ILE A 392
GLY A  96
ILE A  97
PRO A 457
 None
 0.96A 1hshB-4iigA:
undetectable		 1hshB-4iigA:
7.68
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.
4ikm MALTOSE-BINDING
PERIPLASMIC PROTEIN,
CASPASE RECRUITMENT
DOMAIN-CONTAINING
PROTEIN 8

(Escherichia
coli;
Homo sapiens) 		PF00619
(CARD)
PF13416
(SBP_bac_8) 		6 ALA A 277
ILE A  10
VAL A  36
ILE A   3
ILE A  61
ILE A  60
 None
 1.48A 1hshB-4ikmA:
undetectable		 1hshB-4ikmA:
13.60
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.
4iwn TRNA
(CMO5U34)-METHYLTRAN
SFERASE

(Escherichia
coli) 		PF13649
(Methyltransf_25) 		5 ALA A 126
ILE A 150
ILE A  85
ILE A 121
ILE A 123
 None
 0.97A 1hshB-4iwnA:
undetectable		 1hshB-4iwnA:
16.59
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.
4jg5 PUTATIVE CELL
ADHESION PROTEIN

(Parabacteroides
distasonis) 		PF06321
(P_gingi_FimA) 		5 ALA A 300
ILE A 326
VAL A 281
ILE A 215
ILE A 358
 None
 0.93A 1hshB-4jg5A:
undetectable		 1hshB-4jg5A:
16.52
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.
4jjp PHOSPHOMETHYLPYRIMID
INE KINASE

(Clostridioides
difficile) 		PF08543
(Phos_pyr_kin) 		5 ILE A  88
GLY A  13
ILE A  22
ILE A  66
ILE A  92
 None
 0.89A 1hshB-4jjpA:
undetectable		 1hshB-4jjpA:
18.67
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.
4jjp PHOSPHOMETHYLPYRIMID
INE KINASE

(Clostridioides
difficile) 		PF08543
(Phos_pyr_kin) 		6 ILE A  88
VAL A  83
GLY A  13
ILE A  22
ILE A  61
ILE A  62
 None
 1.27A 1hshB-4jjpA:
undetectable		 1hshB-4jjpA:
18.67
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.
4lsm GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE,
CYTOSOLIC

(Trypanosoma
cruzi) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA A  27
ILE A  11
VAL A 332
ILE A  38
ILE A  35
 None
 0.80A 1hshB-4lsmA:
undetectable		 1hshB-4lsmA:
14.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4my2 MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NORRIN FUSION
PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF00007
(Cys_knot)
PF13416
(SBP_bac_8) 		6 ALA A 278
ILE A  11
VAL A  37
ILE A   4
ILE A  62
ILE A  61
 None
 1.46A 1hshB-4my2A:
undetectable		 1hshB-4my2A:
12.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.61A 1hshB-4njvA:
18.2		 1hshB-4njvA:
47.47
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.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		5 ILE A 179
GLY A 444
ILE A 446
ILE A 145
ILE A 182
 None
HEM  A 600 ( 3.7A)
None
None
None
 0.81A 1hshB-4nkyA:
undetectable		 1hshB-4nkyA:
13.28
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.
4nuf MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
NUCLEAR RECEPTOR
SUBFAMILY 0 GROUP B
MEMBER 2 CHIMERIC
CONSTRUCT

(Escherichia
coli;
Mus musculus) 		PF00104
(Hormone_recep)
PF13416
(SBP_bac_8) 		6 ALA A 278
ILE A  11
VAL A  37
ILE A   4
ILE A  62
ILE A  61
 None
 1.47A 1hshB-4nufA:
undetectable		 1hshB-4nufA:
10.20
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.
4ose PUTATIVE HYDROLASE

(Rickettsia
typhi) 		PF00561
(Abhydrolase_1) 		5 ALA A 122
ILE A 234
GLY A 115
ILE A 116
ILE A 230
 None
 0.90A 1hshB-4oseA:
undetectable		 1hshB-4oseA:
16.54
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.
4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]

(Rattus
norvegicus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 ALA A 281
VAL A 308
GLY A 269
ILE A 270
ILE A 428
 None
 0.73A 1hshB-4ox2A:
undetectable		 1hshB-4ox2A:
10.60
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.
4pmw DIS3-LIKE
EXONUCLEASE 2

(Mus musculus) 		PF00773
(RNB)
PF17216
(Rrp44_CSD1) 		5 ALA A 231
ILE A  85
VAL A 111
PRO A  88
ILE A  94
 None
 0.95A 1hshB-4pmwA:
undetectable		 1hshB-4pmwA:
8.61
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.
4r9i SERPIN-18

(Bombyx mori) 		PF00079
(Serpin) 		5 ALA A 234
ILE A 282
VAL A 255
GLY A 257
ILE A 236
 None
 0.95A 1hshB-4r9iA:
undetectable		 1hshB-4r9iA:
17.07
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.
4xxk PHYCOBILIPROTEIN
APCE

(Nostoc sp. PCC
7120) 		PF00502
(Phycobilisome) 		5 ALA A 204
GLY A 198
ILE A 192
ILE A  79
ILE A  75
 None
None
CYC  A 301 (-4.3A)
None
None
 0.95A 1hshB-4xxkA:
undetectable		 1hshB-4xxkA:
22.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		5 ASP A  32
ALA A  35
VAL A  56
GLY A  58
ILE A 100
 4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.60A 1hshB-4ydfA:
13.2		 1hshB-4ydfA:
35.04
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.
4yxm DNA INTEGRITY
SCANNING PROTEIN
DISA

(Thermotoga
maritima) 		PF00633
(HHH)
PF02457
(DisA_N)
PF10635
(DisA-linker) 		5 ALA A 301
ILE A 321
GLY A 308
ILE A 307
ILE A 343
 None
 0.92A 1hshB-4yxmA:
undetectable		 1hshB-4yxmA:
13.71
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.
5a5g FORMATE--TETRAHYDROF
OLATE LIGASE

(Tepidanaerobacter
acetatoxydans) 		PF01268
(FTHFS) 		5 ALA A 379
VAL A 410
GLY A 418
ILE A  58
ILE A 327
 None
 0.81A 1hshB-5a5gA:
undetectable		 1hshB-5a5gA:
10.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ILE A  32
VAL A  47
PRO A  81
ILE A  84
 None
 0.76A 1hshB-5b18A:
18.2		 1hshB-5b18A:
47.47
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.
5cr9 ABC-TYPE
FE3+-HYDROXAMATE
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Saccharomonospora
viridis) 		PF01497
(Peripla_BP_2) 		5 ALA A  85
ILE A 124
VAL A 132
GLY A 134
ILE A 119
 None
 0.74A 1hshB-5cr9A:
undetectable		 1hshB-5cr9A:
16.38
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.
5f42 ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Francisella
tularensis) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 ALA A  60
ILE A  93
ILE A  86
ILE A  50
ILE A  62
 None
 0.83A 1hshB-5f42A:
undetectable		 1hshB-5f42A:
17.15
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.
5fji BETA-GLUCOSIDASE

(Aspergillus
fumigatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ALA A 128
ILE A 393
GLY A  97
ILE A  98
PRO A 458
 None
 0.94A 1hshB-5fjiA:
undetectable		 1hshB-5fjiA:
6.94
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.
5in2 EXTRACELLULAR
SUPEROXIDE DISMUTASE
[CU-ZN]

(Onchocerca
volvulus) 		PF00080
(Sod_Cu) 		5 ALA A  95
VAL A  14
GLY A  16
ILE A  17
ILE A  87
 None
 0.90A 1hshB-5in2A:
undetectable		 1hshB-5in2A:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jxx ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Moraxella
catarrhalis) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 ALA A  13
ILE A  33
ILE A  26
ILE A   3
ILE A  15
 None
 0.94A 1hshB-5jxxA:
undetectable		 1hshB-5jxxA:
15.14
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.
5n3u PHYCOCYANOBILIN
LYASE SUBUNIT ALPHA

(Nostoc sp. PCC
7120) 		no annotation 5 ALA A 185
ILE A 164
GLY A 159
ILE A 158
ILE A 167
 None
 0.77A 1hshB-5n3uA:
undetectable		 1hshB-5n3uA:
20.21
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.
5npy FLAGELLAR BASAL BODY
PROTEIN

(Helicobacter
pylori) 		no annotation 5 VAL A 144
GLY A 146
ILE A 147
ILE A 152
ILE A 179
 None
 0.94A 1hshB-5npyA:
undetectable		 1hshB-5npyA:
12.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  22
ILE A  66
GLY A  86
ILE A  15
ILE A  13
 None
 0.89A 1hshB-5t2zA:
18.7		 1hshB-5t2zA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.69A 1hshB-5t2zA:
18.7		 1hshB-5t2zA:
49.49
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.
5tj2 SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN,GASDERMIN-B
FUSION PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF04598
(Gasdermin)
PF13416
(SBP_bac_8) 		6 ALA A 276
ILE A   9
VAL A  35
ILE A   2
ILE A  60
ILE A  59
 None
 1.45A 1hshB-5tj2A:
undetectable		 1hshB-5tj2A:
10.96
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.
5w1j THIOREDOXIN
GLUTATHIONE
REDUCTASE

(Echinococcus
granulosus) 		no annotation 5 ALA A 125
ILE A 254
GLY A 448
ILE A 445
ILE A 114
 None
 0.90A 1hshB-5w1jA:
undetectable		 1hshB-5w1jA:
11.68
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.
6dm8 -

(-) 		no annotation 6 ALA A  61
ILE A-206
VAL A-180
ILE A-213
ILE A-155
ILE A-156
 None
 1.44A 1hshB-6dm8A:
undetectable		 1hshB-6dm8A:
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.
6fkh ATP SYNTHASE EPSILON
CHAIN, CHLOROPLASTIC

(Spinacia
oleracea) 		no annotation 5 ILE e  69
GLY e  32
ILE e  23
ILE e  76
ILE e  74
 None
 0.86A 1hshB-6fkhe:
undetectable		 1hshB-6fkhe:
24.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		8 ASP A  25
ALA A  28
ILE A  32
VAL A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.68A 1hshB-6upjA:
18.8		 1hshB-6upjA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		8 ASP A  25
ALA A  28
ILE A  32
VAL A  47
GLY A  49
PRO A  81
ILE A  82
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
None
NIU  A 100 (-4.6A)
None
 0.69A 1hshB-6upjA:
18.8		 1hshB-6upjA:
98.99