SIMILAR PATTERNS OF AMINO ACIDS FOR 1HSH_A_MK1A401_1

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