SIMILAR PATTERNS OF AMINO ACIDS FOR 1HSH_A_MK1A401_2

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.
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