SIMILAR PATTERNS OF AMINO ACIDS FOR 1HSH_C_MK1C402

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.
1hvc 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
 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 ( 3.9A)
A79  A 800 (-3.6A)
 0.44A 1hshC-1hvcA:
12.7		 1hshC-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) 		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
 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 ( 3.4A)
A79  A 800 (-3.8A)
 0.29A 1hshC-1hvcA:
12.7		 1hshC-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) 		8 ASP A  25
GLY A  27
ALA A  28
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 ( 4.9A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.40A 1hshC-1hvcA:
12.7		 1hshC-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) 		8 ASP A  25
GLY A  27
ALA A  28
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 ( 4.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.33A 1hshC-1hvcA:
12.7		 1hshC-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.
1hyh L-2-HYDROXYISOCAPROA
TE DEHYDROGENASE

(Weissella
confusa) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A  46
ASP A  47
ASP A  48
ILE A  94
ILE A  24
 None
 0.86A 1hshC-1hyhA:
undetectable		 1hshC-1hyhA:
15.76
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 GLY A 721
ALA A 720
GLY A 715
ILE A 714
ILE A 707
 None
 0.77A 1hshC-1l5jA:
undetectable		 1hshC-1l5jA:
8.13
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.
1ldn L-LACTATE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASP A  46
GLY A  20
ALA A  21
ASP A  90
ILE A  44
 None
 0.89A 1hshC-1ldnA:
undetectable		 1hshC-1ldnA:
16.08
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.
1nnl L-3-PHOSPHOSERINE
PHOSPHATASE

(Homo sapiens) 		PF00702
(Hydrolase) 		5 GLY A 180
ASP A  20
ILE A 194
GLY A 197
ILE A 201
 None
CA  A2001 (-2.3A)
None
None
None
 0.89A 1hshC-1nnlA:
undetectable		 1hshC-1nnlA:
18.22
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) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 None
 0.43A 1hshC-1q9pA:
9.8		 1hshC-1q9pA:
49.47
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) 		6 GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 None
 0.73A 1hshC-1q9pA:
9.8		 1hshC-1q9pA:
49.47
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) 		5 ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 None
 0.87A 1hshC-1sivA:
20.8		 1hshC-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) 		8 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  82
 None
 1.27A 1hshC-1sivA:
20.8		 1hshC-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) 		10 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
ILE A  82
ILE A  84
 None
 0.41A 1hshC-1sivA:
20.8		 1hshC-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) 		10 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  32
GLY A  49
PRO A  81
ILE A  82
ILE A  84
 None
 0.49A 1hshC-1sivA:
20.8		 1hshC-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) 		10 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  82
ILE A  84
 None
 0.47A 1hshC-1sivA:
20.8		 1hshC-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) 		10 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ILE A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  82
ILE A  84
 None
 0.52A 1hshC-1sivA:
20.8		 1hshC-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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 ALA A 190
ASP A 191
GLY A 244
ILE A 247
ILE A 259
 None
None
SO4  A 373 (-3.5A)
None
None
 0.89A 1hshC-1to6A:
undetectable		 1hshC-1to6A:
15.75
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.
1zq1 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT D

(Pyrococcus
abyssi) 		PF00710
(Asparaginase) 		5 GLY A 386
ALA A 385
GLY A 379
ILE A 334
ILE A 350
 None
 0.92A 1hshC-1zq1A:
undetectable		 1hshC-1zq1A:
14.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b4w HYPOTHETICAL
PROTEIN, CONSERVED

(Leishmania
major) 		PF08950
(DUF1861) 		5 ALA A 266
ILE A 269
GLY A 245
ILE A 243
ILE A 206
 None
 0.85A 1hshC-2b4wA:
undetectable		 1hshC-2b4wA:
16.83
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.
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
 0.74A 1hshC-2bc0A:
undetectable		 1hshC-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.
2epj GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Aeropyrum
pernix) 		PF00202
(Aminotran_3) 		5 ALA A 154
ASP A 153
GLY A 150
ILE A 241
ILE A 129
 None
None
PMP  A 501 ( 3.9A)
None
None
 0.93A 1hshC-2epjA:
undetectable		 1hshC-2epjA:
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.
2f2a ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Staphylococcus
aureus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		5 GLY B 103
ILE B 118
PRO B  98
ILE B  99
ILE B  70
 None
 0.91A 1hshC-2f2aB:
undetectable		 1hshC-2f2aB:
14.43
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)
 0.34A 1hshC-2fmbA:
15.9		 1hshC-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.
2gzl 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Escherichia
coli) 		PF02542
(YgbB) 		5 GLY A  37
ASP A   8
ILE A  98
GLY A 145
ILE A  20
 None
ZN  A 900 ( 2.4A)
None
None
None
 0.93A 1hshC-2gzlA:
undetectable		 1hshC-2gzlA:
21.47
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.
2h6e D-ARABINOSE
1-DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  39
ALA A  38
GLY A 115
ILE A  33
ILE A  35
 None
 0.93A 1hshC-2h6eA:
undetectable		 1hshC-2h6eA:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.66A 1hshC-2isqA:
undetectable		 1hshC-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.
2kif O6-METHYLGUANINE-DNA
METHYLTRANSFERASE

(Vibrio
parahaemolyticus) 		PF01035
(DNA_binding_1) 		5 GLY A  31
ALA A  30
ILE A  12
GLY A  24
ILE A   8
 None
 0.95A 1hshC-2kifA:
undetectable		 1hshC-2kifA:
18.97
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.
2nm1 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 ARG A 869
ASP A 877
GLY A 882
ALA A 883
ILE A1040
 None
 0.94A 1hshC-2nm1A:
undetectable		 1hshC-2nm1A:
12.16
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 ARG A   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
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
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 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.54A 1hshC-2rkfA:
19.0		 1hshC-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 ARG A  10
ASP A  37
GLY A  39
ALA A  40
ASP A  41
ILE A 108
 None
 0.88A 1hshC-2rspA:
12.8		 1hshC-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.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		6 ARG A  10
ASP A  37
GLY A  39
ALA A  40
ILE A  44
ILE A 108
 None
 0.97A 1hshC-2rspA:
12.8		 1hshC-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.
2y5w KINESIN HEAVY CHAIN

(Drosophila
melanogaster) 		PF00225
(Kinesin) 		5 GLY A 300
ASP A  11
GLY A  86
ILE A 306
ILE A  13
 None
 0.93A 1hshC-2y5wA:
undetectable		 1hshC-2y5wA:
14.93
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.
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
 0.90A 1hshC-2yxeA:
undetectable		 1hshC-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.
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
 0.88A 1hshC-3czqA:
undetectable		 1hshC-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.
3dbg PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 GLY A 359
ALA A 360
ASP A 361
PRO A  24
ILE A 356
 None
 0.95A 1hshC-3dbgA:
undetectable		 1hshC-3dbgA:
13.77
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.
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
 0.76A 1hshC-3glaA:
undetectable		 1hshC-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.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		5 GLY A 121
ALA A 122
ASP A 123
ILE A  89
ILE A 126
 None
 0.80A 1hshC-3gveA:
undetectable		 1hshC-3gveA:
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.
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
 0.85A 1hshC-3hkzA:
undetectable		 1hshC-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) 		5 ALA A 265
ASP A 266
GLY A 460
ILE A 459
ILE A 224
 None
 0.95A 1hshC-3i5gA:
undetectable		 1hshC-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.
3ib6 UNCHARACTERIZED
PROTEIN

(Listeria
monocytogenes) 		PF13419
(HAD_2) 		5 GLY A 134
ALA A 133
ILE A 101
ILE A 127
ILE A   6
 None
 0.96A 1hshC-3ib6A:
undetectable		 1hshC-3ib6A:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 235
ALA A 236
GLY A 208
ILE A 203
ILE A 217
 None
 0.93A 1hshC-3ip1A:
undetectable		 1hshC-3ip1A:
14.40
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.
3k92 NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A 244
ALA A 245
ILE A 298
ILE A 226
ILE A 224
 None
 0.87A 1hshC-3k92A:
undetectable		 1hshC-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.
3ke6 PROTEIN
RV1364C/MT1410

(Mycobacterium
tuberculosis) 		PF07228
(SpoIIE)
PF13581
(HATPase_c_2) 		5 GLY A 175
ALA A 176
ASP A 177
ILE A 323
GLY A 320
 None
 0.95A 1hshC-3ke6A:
undetectable		 1hshC-3ke6A:
13.55
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 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 None
 0.53A 1hshC-3mwsA:
19.3		 1hshC-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) 		9 ARG A   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
 0.56A 1hshC-3mwsA:
19.3		 1hshC-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.
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
 0.87A 1hshC-3o8oA:
undetectable		 1hshC-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)
 0.92A 1hshC-3oneA:
undetectable		 1hshC-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
 0.87A 1hshC-3opyA:
undetectable		 1hshC-3opyA:
7.77
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) 		5 ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
 017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
017  A 201 (-4.0A)
None
 0.75A 1hshC-3t3cA:
18.6		 1hshC-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) 		6 ARG A   8
ASP A  25
GLY A  27
ASP A  29
GLY A  49
ILE A  50
 SO4  A 101 (-3.8A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.67A 1hshC-3t3cA:
18.6		 1hshC-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
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)
 0.53A 1hshC-3t3cA:
18.6		 1hshC-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.
3t8i PURINE NUCLEOSIDASE,
(IUNH-2)

(Sulfolobus
solfataricus) 		PF01156
(IU_nuc_hydro) 		5 GLY A 178
ILE A 118
ILE A 173
ILE A 146
ILE A 144
 None
 0.79A 1hshC-3t8iA:
undetectable		 1hshC-3t8iA:
17.32
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.
3tqd 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Coxiella
burnetii) 		PF02348
(CTP_transf_3) 		5 GLY A  62
ALA A  63
ILE A   7
ILE A  54
ILE A  47
 None
 0.96A 1hshC-3tqdA:
undetectable		 1hshC-3tqdA:
16.47
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 ARG A   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
ILE A  84
 017  A 201 ( 4.8A)
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 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.7A)
 0.54A 1hshC-3ttpA:
19.5		 1hshC-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 ARG A   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
ILE A  84
 017  A 201 ( 4.8A)
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 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.50A 1hshC-3ttpA:
19.5		 1hshC-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) 		9 ARG A   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
 None
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)
 0.52A 1hshC-3u7sA:
19.2		 1hshC-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) 		9 ARG A   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
 None
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)
 0.53A 1hshC-3u7sA:
19.2		 1hshC-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.
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
 0.79A 1hshC-3vcnA:
undetectable		 1hshC-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.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		5 GLY A 261
ASP A 305
ILE A 287
ILE A 231
ILE A 233
 None
 0.90A 1hshC-4aeeA:
undetectable		 1hshC-4aeeA:
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.
4emd 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE

(Mycobacteroides
abscessus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 ASP A 117
GLY A 113
GLY A  68
ILE A  62
ILE A 101
 None
SO4  A 402 (-3.8A)
None
None
None
 0.94A 1hshC-4emdA:
undetectable		 1hshC-4emdA:
18.55
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.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		5 ALA A  48
ILE A 250
ILE A 285
ILE A 292
ILE A 259
 None
 0.93A 1hshC-4ev4A:
undetectable		 1hshC-4ev4A:
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.
4ezd UREA TRANSPORTER 1

(Bos taurus) 		PF03253
(UT) 		5 GLY A  73
ILE A 126
GLY A  79
ILE A 239
ILE A 228
 None
 0.88A 1hshC-4ezdA:
undetectable		 1hshC-4ezdA:
13.08
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.
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
 0.94A 1hshC-4h4aA:
undetectable		 1hshC-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.
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
 0.89A 1hshC-4iwnA:
undetectable		 1hshC-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.
4kpn NUCLEOSIDE
N-RIBOHYDROLASE 1

(Physcomitrella
patens) 		PF01156
(IU_nuc_hydro) 		6 GLY A 199
ALA A 200
ILE A 138
ILE A 194
ILE A 166
ILE A 164
 None
 0.90A 1hshC-4kpnA:
undetectable		 1hshC-4kpnA:
17.16
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) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.32A 1hshC-4njvA:
18.5		 1hshC-4njvA:
47.47
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) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.36A 1hshC-4njvA:
18.5		 1hshC-4njvA:
47.47
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) 		7 ASP A  25
GLY A  27
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
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)
 0.32A 1hshC-4njvA:
18.5		 1hshC-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
 0.89A 1hshC-4nkyA:
undetectable		 1hshC-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.
4qnx TRNA
(MO5U34)-METHYLTRANS
FERASE

(Escherichia
coli) 		PF08003
(Methyltransf_9) 		5 ASP A 152
GLY A 132
ASP A 128
ILE A 181
GLY A 197
 None
None
None
SO4  A 402 (-4.0A)
SO4  A 401 (-3.3A)
 0.83A 1hshC-4qnxA:
undetectable		 1hshC-4qnxA:
15.09
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.
4r7p UTP--GLUCOSE-1-PHOSP
HATE
URIDYLYLTRANSFERASE

(Homo sapiens) 		PF01704
(UDPGP) 		5 ALA A 480
ASP A 484
ILE A 498
ILE A 488
ILE A 486
 None
 0.94A 1hshC-4r7pA:
undetectable		 1hshC-4r7pA:
12.82
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.
4rgh PROTEIN DDI1 HOMOLOG
2

(Homo sapiens) 		PF09668
(Asp_protease) 		5 ASP A 220
GLY A 222
ALA A 223
ILE A 227
PRO A 285
 None
 0.55A 1hshC-4rghA:
11.0		 1hshC-4rghA:
18.93
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.
4twb RIBOSE-PHOSPHATE
PYROPHOSPHOKINASE

(Sulfolobus
solfataricus) 		PF00156
(Pribosyltran)
PF13793
(Pribosyltran_N) 		5 ASP A 165
GLY A 167
ALA A 168
ILE A 214
ILE A 218
 None
 0.96A 1hshC-4twbA:
undetectable		 1hshC-4twbA:
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.
4uz1 NOTUM

(Homo sapiens) 		PF03283
(PAE) 		5 ALA A 229
ILE A 393
GLY A 234
ILE A 391
ILE A 392
 None
 0.93A 1hshC-4uz1A:
undetectable		 1hshC-4uz1A:
14.97
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) 		6 ARG A  10
ASP A  32
GLY A  34
ALA A  35
ASP A  36
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-4.8A)
 0.57A 1hshC-4ydfA:
13.1		 1hshC-4ydfA:
35.04
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) 		6 ASP A  32
GLY A  34
ALA A  35
ASP A  36
GLY A  58
ILE A 100
 4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.52A 1hshC-4ydfA:
13.1		 1hshC-4ydfA:
35.04
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 ARG A   8
GLY A  27
ALA A  28
ASP A  29
ASP A  30
 None
 0.45A 1hshC-5b18A:
17.9		 1hshC-5b18A:
47.47
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) 		6 GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
ILE A  84
 None
 0.37A 1hshC-5b18A:
17.9		 1hshC-5b18A:
47.47
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 GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  84
 None
 0.72A 1hshC-5b18A:
17.9		 1hshC-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.
5c9d APRICK PROTEASE

(Rickettsia
conorii) 		PF13975
(gag-asp_proteas) 		5 ASP A 140
GLY A 142
ALA A 143
ASP A 145
ILE A 206
 None
 0.82A 1hshC-5c9dA:
8.7		 1hshC-5c9dA:
24.32
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.
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
 0.82A 1hshC-5f42A:
undetectable		 1hshC-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.
5ft6 CYSTEINE DESULFURASE
CSDA

(Escherichia
coli) 		PF00266
(Aminotran_5) 		5 GLY A 190
ALA A 189
ILE A 183
ILE A 113
ILE A 157
 None
 0.86A 1hshC-5ft6A:
undetectable		 1hshC-5ft6A:
13.99
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.
5i6e ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF08326
(ACC_central) 		5 GLY A1345
ILE A1351
ILE A1342
ILE A1353
ILE A1347
 None
 0.96A 1hshC-5i6eA:
undetectable		 1hshC-5i6eA:
9.35
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.
5il5 MLND

(Bacillus
velezensis) 		PF14765
(PS-DH) 		5 GLY A1310
ALA A1309
ILE A1278
ILE A1303
ILE A1341
 None
 0.73A 1hshC-5il5A:
undetectable		 1hshC-5il5A:
15.08
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.
5ldn HEXON PROTEIN,HEXON
CAPSID

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 GLY A 220
ALA A 171
ILE A 215
GLY A 206
ILE A 205
 None
 0.93A 1hshC-5ldnA:
undetectable		 1hshC-5ldnA:
9.06
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.
5o7g ALPHA/BETA HYDROLASE
FAMILY PROTEIN

(Bacillus
coagulans) 		no annotation 5 GLY A  56
ALA A  55
ILE A  49
ILE A 300
ILE A 301
 None
 0.84A 1hshC-5o7gA:
undetectable		 1hshC-5o7gA:
22.86
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) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 None
 0.48A 1hshC-5t2zA:
19.1		 1hshC-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) 		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
 0.40A 1hshC-5t2zA:
19.1		 1hshC-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.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 220
ALA A 219
ILE A 282
ILE A 299
ILE A 281
 NAD  A 501 ( 3.7A)
None
None
NAD  A 501 (-4.3A)
NAD  A 501 (-4.8A)
 0.88A 1hshC-5w4bA:
undetectable		 1hshC-5w4bA:
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.
5x6x MRNA CAPPING ENZYME
P5

(Rice dwarf
virus) 		no annotation 5 GLY C 429
ALA C 430
GLY C 243
ILE C 435
ILE C 433
 None
 0.77A 1hshC-5x6xC:
undetectable		 1hshC-5x6xC:
19.00
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.
5xyj ACETYL-COA
ACETYLTRANSFERASE

(Saccharomyces
cerevisiae) 		no annotation 5 GLY B 101
ALA B 102
ILE B 262
ILE B 395
ILE B 280
 None
 0.87A 1hshC-5xyjB:
undetectable		 1hshC-5xyjB:
22.00
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.
6bwe PUTATIVE FIMBRIAL
ASSOCIATED
SORTASE-LIKE PROTEIN

(Corynebacterium
diphtheriae) 		no annotation 5 ALA A 236
ASP A 195
ILE A 220
ILE A 114
ILE A 181
 None
 0.83A 1hshC-6bweA:
undetectable		 1hshC-6bweA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ei9 TRNA-DIHYDROURIDINE
SYNTHASE B

(Escherichia
coli) 		no annotation 5 GLY A 217
ALA A 218
ASP A 219
ILE A 168
ILE A 186
 None
 0.94A 1hshC-6ei9A:
undetectable		 1hshC-6ei9A:
18.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 ASP A  30
GLY A  32
ALA A  33
ASP A  34
GLY A  58
 3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
 0.26A 1hshC-6fivA:
16.3		 1hshC-6fivA:
31.09
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) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  30
ILE A  32
GLY A  49
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
None
 0.65A 1hshC-6upjA:
19.1		 1hshC-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) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
ILE A  82
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
None
NIU  A 100 (-4.6A)
None
 0.66A 1hshC-6upjA:
19.1		 1hshC-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) 		5 ARG A   8
GLY A  27
ASP A  29
ASP A  30
ILE A  50
 None
NIU  A 100 (-4.5A)
None
None
NIU  A 100 (-3.9A)
 0.66A 1hshC-6upjA:
19.1		 1hshC-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) 		7 ASP A  25
ALA A  28
ASP A  30
ILE A  32
GLY A  49
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
None
None
 0.63A 1hshC-6upjA:
19.1		 1hshC-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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
PRO A  81
ILE A  82
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
None
None
NIU  A 100 (-4.6A)
None
 0.57A 1hshC-6upjA:
19.1		 1hshC-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) 		5 GLY A  27
ASP A  29
ASP A  30
ILE A  50
PRO A  81
 NIU  A 100 (-4.5A)
None
None
NIU  A 100 (-3.9A)
None
 0.64A 1hshC-6upjA:
19.1		 1hshC-6upjA:
98.99
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.
1a05 3-ISOPROPYLMALATE
DEHYDROGENASE

(Acidithiobacillus
ferrooxidans) 		PF00180
(Iso_dh) 		4 ALA A 290
GLY A 260
ILE A 259
ILE A  16
 None
 0.69A 1hshD-1a05A:
0.0		 1hshD-1a05A:
17.49
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.
1aec ACTINIDIN

(Actinidia
chinensis) 		PF00112
(Peptidase_C1) 		5 ALA A  30
GLY A  36
ILE A  37
ILE A  83
ILE A  31
 None
 1.43A 1hshD-1aecA:
0.6		 1hshD-1aecA:
19.09
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.
1bou 4,5-DIOXYGENASE BETA
CHAIN

(Sphingomonas
paucimobilis) 		PF02900
(LigB) 		4 ALA B 175
GLY B 169
ILE B 148
ILE B 106
 None
 0.69A 1hshD-1bouB:
0.0		 1hshD-1bouB:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		5 ALA A 410
GLY A 402
ILE A 401
ILE A 114
ILE A 414
 None
 1.46A 1hshD-1ddzA:
0.0		 1hshD-1ddzA:
12.70
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.
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
 0.76A 1hshD-1dkgD:
undetectable		 1hshD-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.
1eth TRIACYLGLYCEROL
ACYL-HYDROLASE

(Sus scrofa) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 ALA A 272
GLY A 309
ILE A 203
ILE A  74
ILE A  90
 None
 1.11A 1hshD-1ethA:
0.0		 1hshD-1ethA:
12.27
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.
1g68 BETA-LACTAMASE PSE-4

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		5 ALA A 248
GLY A 283
ILE A 286
PRO A 226
ILE A 231
 None
 1.17A 1hshD-1g68A:
undetectable		 1hshD-1g68A:
17.71
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.
1gv3 MANGANESE SUPEROXIDE
DISMUTASE

(Nostoc sp. PCC
7120) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 GLY A  27
ILE A  26
ILE A 230
ILE A 123
 None
 0.71A 1hshD-1gv3A:
undetectable		 1hshD-1gv3A:
18.93
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.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 ALA A  28
GLY A  48
PRO A  81
ILE A  84
 A79  A 800 (-3.2A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.72A 1hshD-1hvcA:
12.6		 1hshD-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 ARG A   8
ASP A  25
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-3.6A)
A79  A 800 (-2.8A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.90A 1hshD-1hvcA:
12.6		 1hshD-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 (-2.7A)
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)
 0.65A 1hshD-1hvcA:
12.6		 1hshD-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)
 0.58A 1hshD-1hvcA:
12.6		 1hshD-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.
1j8m SIGNAL RECOGNITION
54 KDA PROTEIN

(Acidianus
ambivalens) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 ALA F 115
GLY F 149
ILE F 152
ILE F 183
ILE F 185
 None
 0.95A 1hshD-1j8mF:
undetectable		 1hshD-1j8mF:
16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kcz BETA-METHYLASPARTASE

(Clostridium
tetanomorphum) 		PF05034
(MAAL_N)
PF07476
(MAAL_C) 		5 ARG A 298
ALA A 287
GLY A 244
ILE A 243
ILE A 251
 None
 1.09A 1hshD-1kczA:
undetectable		 1hshD-1kczA:
13.40
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.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		5 ARG A 340
ALA A 370
GLY A 393
PRO A 321
ILE A 320
 None
 1.15A 1hshD-1kplA:
undetectable		 1hshD-1kplA:
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.
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
 0.81A 1hshD-1kz1A:
undetectable		 1hshD-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.
1lo9 4-HYDROXYBENZOYL-COA
THIOESTERASE

(Pseudomonas sp.
CBS3) 		no annotation 4 ASP A  76
ALA A  72
GLY A  20
ILE A  11
 None
 0.69A 1hshD-1lo9A:
undetectable		 1hshD-1lo9A:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m2v PROTEIN TRANSPORT
PROTEIN SEC24

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 ALA B 177
ILE B 628
PRO B 209
ILE B 207
ILE B 182
 None
 1.38A 1hshD-1m2vB:
undetectable		 1hshD-1m2vB:
8.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 ALA A 221
ILE A 197
PRO A 232
ILE A 243
ILE A 208
 None
 1.42A 1hshD-1mz5A:
undetectable		 1hshD-1mz5A:
10.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n7g GDP-D-MANNOSE-4,6-DE
HYDRATASE

(Arabidopsis
thaliana) 		PF16363
(GDP_Man_Dehyd) 		5 ALA A  90
GLY A  57
ILE A  33
PRO A 107
ILE A 102
 None
 1.28A 1hshD-1n7gA:
undetectable		 1hshD-1n7gA:
13.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nt2 CONSERVED
HYPOTHETICAL PROTEIN

(Archaeoglobus
fulgidus) 		PF01798
(Nop) 		4 ARG B 135
ALA B 163
GLY B 158
ILE B 142
 None
 0.71A 1hshD-1nt2B:
undetectable		 1hshD-1nt2B:
16.86
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.
1oh2 SUCROSE SPECIFIC
PORIN

(Salmonella
enterica) 		PF02264
(LamB) 		5 ARG Q 338
ALA Q 356
GLY Q 109
ILE Q 108
ILE Q 195
 None
 0.94A 1hshD-1oh2Q:
undetectable		 1hshD-1oh2Q:
13.08
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.
1pd1 PROTEIN TRANSPORT
PROTEIN SEC24

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 ALA A 177
ILE A 628
PRO A 209
ILE A 207
ILE A 182
 None
 1.36A 1hshD-1pd1A:
undetectable		 1hshD-1pd1A:
9.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ppr PERIDININ-CHLOROPHYL
L PROTEIN

(Amphidinium
carterae) 		PF02429
(PCP) 		4 GLY M  71
ILE M  73
ILE M 207
ILE M 211
 None
PID  M 614 (-4.4A)
PID  M 612 (-4.1A)
CLA  M 601 (-4.1A)
 0.72A 1hshD-1pprM:
undetectable		 1hshD-1pprM:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pz3 ALPHA-L-ARABINOFURAN
OSIDASE

(Geobacillus
stearothermophilus) 		PF06964
(Alpha-L-AF_C) 		4 ALA A 121
ILE A  57
ILE A  28
ILE A  68
 None
 0.68A 1hshD-1pz3A:
undetectable		 1hshD-1pz3A:
10.82
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.
1q1n HYPOTHETICAL
ZINC-TYPE ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN IN PRE5-FET4
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ALA A 201
GLY A 223
ILE A 321
ILE A 319
 None
 0.64A 1hshD-1q1nA:
undetectable		 1hshD-1q1nA:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q3x MANNAN-BINDING
LECTIN SERINE
PROTEASE 2

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 ALA A 468
GLY A 635
ILE A 652
ILE A 536
ILE A 462
 None
 0.95A 1hshD-1q3xA:
undetectable		 1hshD-1q3xA:
20.45
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.
1q8y SR PROTEIN KINASE

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		4 ARG A 287
ASP A 282
ALA A 697
GLY A 726
 None
 0.71A 1hshD-1q8yA:
undetectable		 1hshD-1q8yA:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rif DNA HELICASE UVSW

(Escherichia
virus T4) 		PF04851
(ResIII) 		5 ALA A 237
GLY A 257
ILE A 132
ILE A 246
ILE A 242
 None
None
AU  A 287 ( 4.7A)
None
None
 1.48A 1hshD-1rifA:
undetectable		 1hshD-1rifA:
20.30
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.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 ARG A 254
GLY A 145
PRO A  30
ILE A  31
ILE A  33
 None
 1.19A 1hshD-1rj6A:
undetectable		 1hshD-1rj6A:
14.96
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.
1rpn GDP-MANNOSE
4,6-DEHYDRATASE

(Pseudomonas
aeruginosa) 		PF16363
(GDP_Man_Dehyd) 		4 ARG A  45
ALA A  19
GLY A   9
ILE A  53
 None
None
NDP  A1501 (-3.3A)
None
 0.72A 1hshD-1rpnA:
undetectable		 1hshD-1rpnA:
15.50
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.
1rrm LACTALDEHYDE
REDUCTASE

(Escherichia
coli) 		PF00465
(Fe-ADH) 		5 ARG A 120
ALA A 106
GLY A  80
ILE A  74
ILE A 154
 None
 1.25A 1hshD-1rrmA:
undetectable		 1hshD-1rrmA:
15.15
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 ARG A   8
ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  82
ILE A  84
 None
 0.62A 1hshD-1sivA:
20.8		 1hshD-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) 		5 ARG A   8
GLY A  51
ILE A  50
PRO A  81
ILE A  82
 None
 1.45A 1hshD-1sivA:
20.8		 1hshD-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) 		4 ASP A  25
ALA A  28
GLY A  48
ILE A  84
 None
 0.66A 1hshD-1sivA:
20.8		 1hshD-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.
1squ CHEX PROTEIN

(Thermotoga
maritima) 		PF13690
(CheX) 		5 ALA A 101
GLY A  50
ILE A  52
ILE A  46
ILE A 113
 None
 1.39A 1hshD-1squA:
undetectable		 1hshD-1squA:
26.14
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.
1swf CIRCULARLY PERMUTED
CORE-STREPTAVIDIN
E51/A46

(Streptomyces
avidinii) 		PF01382
(Avidin) 		5 ALA A  33
GLY A  41
ILE A  30
ILE A 104
ILE A  17
 None
 1.38A 1hshD-1swfA:
undetectable		 1hshD-1swfA:
25.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tez DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE

(Synechococcus
elongatus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 ALA A 336
GLY A 330
PRO A 408
ILE A 354
ILE A 333
 None
 1.31A 1hshD-1tezA:
undetectable		 1hshD-1tezA:
11.65
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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 ALA A 334
GLY A 317
ILE A 337
PRO A   7
ILE A 283
 None
 1.29A 1hshD-1to6A:
undetectable		 1hshD-1to6A:
15.75
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.
1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A

(Staphylococcus
aureus) 		PF04055
(Radical_SAM)
PF06463
(Mob_synth_C)
PF13394
(Fer4_14) 		5 ARG A  17
ALA A  59
GLY A  66
ILE A  13
ILE A  70
 None
 1.05A 1hshD-1tv8A:
undetectable		 1hshD-1tv8A:
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.
1typ TRYPANOTHIONE
REDUCTASE

(Crithidia
fasciculata) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 442
GLY A 426
ILE A 415
ILE A 437
ILE A 438
 None
 1.48A 1hshD-1typA:
undetectable		 1hshD-1typA:
13.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xfg GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING]

(Escherichia
coli) 		PF13522
(GATase_6) 		4 ARG A  22
ALA A   6
GLY A 183
ILE A  15
 None
 0.55A 1hshD-1xfgA:
undetectable		 1hshD-1xfgA:
17.08
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.
1xks NUCLEAR PORE COMPLEX
PROTEIN NUP133

(Homo sapiens) 		no annotation 5 ALA A 178
ILE A 221
PRO A 234
ILE A 240
ILE A 184
 None
 1.47A 1hshD-1xksA:
undetectable		 1hshD-1xksA:
13.74
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.
1xt5 VARIABLE
REGION-CONTAINING
CHITIN-BINDING
PROTEIN 3

(Branchiostoma
floridae) 		PF07686
(V-set) 		5 ALA A 124
GLY A 121
ILE A 116
PRO A  37
ILE A  39
 None
 1.44A 1hshD-1xt5A:
undetectable		 1hshD-1xt5A:
22.48
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.
1y0e PUTATIVE
N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Staphylococcus
aureus) 		PF04131
(NanE) 		5 ALA A  28
GLY A  38
ILE A   7
ILE A  47
ILE A  50
 None
 0.99A 1hshD-1y0eA:
undetectable		 1hshD-1y0eA:
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.
1y7e PROBABLE M18-FAMILY
AMINOPEPTIDASE 1

(Borreliella
burgdorferi) 		PF02127
(Peptidase_M18) 		4 ILE A 221
PRO A 107
ILE A 117
ILE A 194
 None
 0.70A 1hshD-1y7eA:
undetectable		 1hshD-1y7eA:
14.14
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.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		5 ALA A 210
GLY A 155
PRO A  38
ILE A  39
ILE A  41
 None
 1.37A 1hshD-1y7wA:
undetectable		 1hshD-1y7wA:
14.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		5 ARG A 269
ALA A 210
GLY A 155
ILE A  39
ILE A  41
 None
 0.92A 1hshD-1y7wA:
undetectable		 1hshD-1y7wA:
14.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yf2 TYPE I
RESTRICTION-MODIFICA
TION ENZYME, S
SUBUNIT

(Methanocaldococcus
jannaschii) 		PF01420
(Methylase_S) 		4 ALA A  94
GLY A 117
ILE A 118
ILE A  59
 None
 0.67A 1hshD-1yf2A:
undetectable		 1hshD-1yf2A:
12.47
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.
1ygp YEAST GLYCOGEN
PHOSPHORYLASE

(Saccharomyces
cerevisiae) 		PF00343
(Phosphorylase) 		5 ALA A 695
GLY A 485
ILE A 486
ILE A 703
ILE A 699
 None
 1.28A 1hshD-1ygpA:
undetectable		 1hshD-1ygpA:
9.58
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.
1yxy PUTATIVE
N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Streptococcus
pyogenes) 		PF04131
(NanE) 		5 ALA A  42
GLY A  52
ILE A  19
ILE A  61
ILE A  64
 None
 0.95A 1hshD-1yxyA:
undetectable		 1hshD-1yxyA:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z3z DIALKYLGLYCINE
DECARBOXYLASE

(Burkholderia
cepacia) 		PF00202
(Aminotran_3) 		5 ALA A 428
GLY A 379
ILE A 395
ILE A 351
ILE A 429
 None
 1.35A 1hshD-1z3zA:
undetectable		 1hshD-1z3zA:
13.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zch HYPOTHETICAL
OXIDOREDUCTASE YCND

(Bacillus
subtilis) 		PF00881
(Nitroreductase) 		5 ALA A  73
GLY A 131
ILE A  14
PRO A 134
ILE A 135
 None
None
None
FMN  A 301 (-4.0A)
FMN  A 301 (-3.8A)
 1.25A 1hshD-1zchA:
undetectable		 1hshD-1zchA:
18.65
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.
1zjk MANNAN-BINDING
LECTIN SERINE
PROTEASE 2

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 ALA A 468
GLY A 635
ILE A 652
ILE A 536
ILE A 462
 None
 0.95A 1hshD-1zjkA:
undetectable		 1hshD-1zjkA:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a00 POTASSIUM-TRANSPORTI
NG ATPASE B CHAIN

(Escherichia
coli) 		no annotation 4 GLY A 385
ILE A 393
ILE A 443
ILE A 352
 None
 0.66A 1hshD-2a00A:
undetectable		 1hshD-2a00A:
19.87
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.
2aqw PUTATIVE
OROTIDINE-MONOPHOSPH
ATE-DECARBOXYLASE

(Plasmodium
yoelii) 		PF00215
(OMPdecase) 		4 ALA A 248
GLY A 268
ILE A 269
ILE A 264
 None
SO4  A2002 ( 4.9A)
None
None
 0.69A 1hshD-2aqwA:
undetectable		 1hshD-2aqwA:
16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2av5 RIBONUCLEASE P
PROTEIN COMPONENT 2

(Pyrococcus
furiosus) 		PF01900
(RNase_P_Rpp14) 		5 ARG A  71
ALA A  20
ILE A  38
ILE A  59
ILE A  69
 None
 1.28A 1hshD-2av5A:
undetectable		 1hshD-2av5A:
21.74
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 ALA A  46
ILE A 235
PRO A 240
ILE A  39
ILE A  63
 None
 1.26A 1hshD-2b3xA:
undetectable		 1hshD-2b3xA:
7.53
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.
2b4w HYPOTHETICAL
PROTEIN, CONSERVED

(Leishmania
major) 		PF08950
(DUF1861) 		5 ALA A 266
GLY A 245
ILE A 243
PRO A 296
ILE A 206
 None
 1.21A 1hshD-2b4wA:
undetectable		 1hshD-2b4wA:
16.83
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.
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 ASP A 275
GLY A 233
ILE A 232
PRO A 250
ILE A 252
 None
 1.24A 1hshD-2b5mA:
undetectable		 1hshD-2b5mA:
8.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bp5 CLATHRIN COAT
ASSEMBLY PROTEIN
AP50

(Rattus
norvegicus) 		PF00928
(Adap_comp_sub) 		5 ALA M 194
GLY M 429
PRO M 396
ILE M 284
ILE M 283
 None
 1.21A 1hshD-2bp5M:
undetectable		 1hshD-2bp5M:
13.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cjq RNA-DIRECTED RNA
POLYMERASE

(Pestivirus A) 		PF00998
(RdRP_3) 		4 GLY A 362
ILE A 361
ILE A 298
ILE A 380
 None
 0.72A 1hshD-2cjqA:
undetectable		 1hshD-2cjqA:
9.53
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.
2ddt SPHINGOMYELIN
PHOSPHODIESTERASE

(Bacillus cereus) 		PF03372
(Exo_endo_phos) 		5 GLY A 193
ILE A 192
PRO A 223
ILE A 267
ILE A 303
 None
 1.35A 1hshD-2ddtA:
undetectable		 1hshD-2ddtA:
16.85
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.
2dht 409AA LONG
HYPOTHETICAL
NADP-DEPENDENT
ISOCITRATE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00180
(Iso_dh) 		5 ARG A 215
GLY A 305
ILE A 308
ILE A 146
ILE A 147
 None
 1.37A 1hshD-2dhtA:
undetectable		 1hshD-2dhtA:
15.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e3z BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF00232
(Glyco_hydro_1) 		5 ALA A 208
GLY A 225
ILE A 166
PRO A 171
ILE A 201
 None
 1.49A 1hshD-2e3zA:
undetectable		 1hshD-2e3zA:
15.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ew7 PEPTIDE DEFORMYLASE

(Helicobacter
pylori) 		PF01327
(Pep_deformylase) 		5 ALA A 128
ILE A  84
PRO A  81
ILE A 140
ILE A 136
 None
 1.27A 1hshD-2ew7A:
undetectable		 1hshD-2ew7A:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f2a ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Staphylococcus
aureus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		5 GLY B 103
ILE B 118
PRO B  98
ILE B  99
ILE B  70
 None
 1.03A 1hshD-2f2aB:
undetectable		 1hshD-2f2aB:
14.43
Potential target for repurposing, i.e. matched protein structure has less than 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) 		4 ALA A 238
GLY A 231
ILE A 232
ILE A 209
 None
 0.67A 1hshD-2f31A:
undetectable		 1hshD-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 ARG A   8
ASP A  25
ALA A  28
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-3.5A)
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)
 0.55A 1hshD-2fmbA:
15.9		 1hshD-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) 		4 ASP A  25
ALA A  28
GLY A  54
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.2A)
 0.71A 1hshD-2fmbA:
15.9		 1hshD-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.
2fq1 ISOCHORISMATASE

(Escherichia
coli) 		PF00550
(PP-binding)
PF00857
(Isochorismatase) 		5 GLY A 242
ILE A 239
PRO A 232
ILE A 273
ILE A 222
 MG  A 997 (-4.4A)
None
None
None
None
 1.42A 1hshD-2fq1A:
undetectable		 1hshD-2fq1A:
15.65
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.
2fvz INOSITOL
MONOPHOSPHATASE 2

(Homo sapiens) 		PF00459
(Inositol_P) 		5 GLY A  31
ILE A  33
PRO A 102
ILE A 100
ILE A 120
 None
 1.32A 1hshD-2fvzA:
undetectable		 1hshD-2fvzA:
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.
2fwr DNA REPAIR PROTEIN
RAD25

(Archaeoglobus
fulgidus) 		PF04851
(ResIII)
PF16203
(ERCC3_RAD25_C) 		4 ARG A 327
ALA A 309
GLY A 294
ILE A 295
 None
 0.70A 1hshD-2fwrA:
undetectable		 1hshD-2fwrA:
11.56
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.
2g2d ATP:COBALAMIN
ADENOSYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF01923
(Cob_adeno_trans) 		5 ARG A 164
ALA A  73
ILE A  66
ILE A  97
ILE A  92
 None
 1.48A 1hshD-2g2dA:
undetectable		 1hshD-2g2dA:
17.50
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.
2g36 TRYPTOPHANYL-TRNA
SYNTHETASE

(Thermotoga
maritima) 		PF00579
(tRNA-synt_1b) 		4 ALA A 134
ILE A 128
ILE A  97
ILE A 161
 None
 0.65A 1hshD-2g36A:
undetectable		 1hshD-2g36A:
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.
2gmu PUTATIVE
PYRIDOXAMINE
5-PHOSPHATE-DEPENDEN
T DEHYDRASE, WBDK

(Escherichia
coli) 		PF01041
(DegT_DnrJ_EryC1) 		5 ASP A 106
ALA A  85
GLY A 336
ILE A 109
ILE A 107
 None
 1.18A 1hshD-2gmuA:
undetectable		 1hshD-2gmuA:
14.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gzl 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Escherichia
coli) 		PF02542
(YgbB) 		5 ALA A  40
ILE A  99
PRO A 103
ILE A  18
ILE A  20
 None
 1.42A 1hshD-2gzlA:
undetectable		 1hshD-2gzlA:
21.47
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.
2hig 6-PHOSPHO-1-FRUCTOKI
NASE

(Trypanosoma
brucei) 		PF00365
(PFK) 		4 GLY A 123
ILE A 124
ILE A 116
ILE A 102
 None
 0.63A 1hshD-2higA:
undetectable		 1hshD-2higA:
13.55
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.
2hmf PROBABLE
ASPARTOKINASE

(Methanocaldococcus
jannaschii) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		5 ALA A 276
GLY A 218
ILE A 217
ILE A 228
ILE A 283
 None
 1.24A 1hshD-2hmfA:
undetectable		 1hshD-2hmfA:
13.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hoe N-ACETYLGLUCOSAMINE
KINASE

(Thermotoga
maritima) 		PF00480
(ROK) 		5 ALA A 214
GLY A 189
ILE A 349
ILE A 308
ILE A 206
 None
 1.28A 1hshD-2hoeA:
undetectable		 1hshD-2hoeA:
14.67
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.
2hr7 INSULIN RECEPTOR

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		4 ALA A  92
ILE A 119
ILE A 136
ILE A 112
 None
 0.66A 1hshD-2hr7A:
undetectable		 1hshD-2hr7A:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j6h GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF01380
(SIS)
PF13522
(GATase_6) 		4 ARG A  22
ALA A   6
GLY A 183
ILE A  15
 None
 0.55A 1hshD-2j6hA:
undetectable		 1hshD-2j6hA:
9.15
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.
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
 0.79A 1hshD-2khoA:
undetectable		 1hshD-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.
2mt9 FLAVODOXIN-2

(Escherichia
coli) 		PF00258
(Flavodoxin_1) 		5 ALA A  17
GLY A  86
ILE A  53
ILE A  50
ILE A  21
 None
 1.15A 1hshD-2mt9A:
undetectable		 1hshD-2mt9A:
18.39
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.
2nad NAD-DEPENDENT
FORMATE
DEHYDROGENASE

(Pseudomonas sp.
101) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ALA A 140
GLY A 121
ILE A 122
PRO A  37
ILE A 351
 None
AZI  A 395 (-3.6A)
NAD  A 394 ( 3.5A)
None
None
 1.16A 1hshD-2nadA:
undetectable		 1hshD-2nadA:
14.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nyf NOSTOC PUNCTIFORME
PHENYLALANINE
AMMONIA LYASE

(Nostoc
punctiforme) 		PF00221
(Lyase_aromatic) 		4 ALA A 220
ILE A 177
ILE A 144
ILE A 139
 None
 0.63A 1hshD-2nyfA:
undetectable		 1hshD-2nyfA:
10.21
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.
2o14 HYPOTHETICAL PROTEIN
YXIM

(Bacillus
subtilis) 		PF13472
(Lipase_GDSL_2) 		4 ALA A 270
ILE A 262
ILE A 224
ILE A 228
 None
 0.67A 1hshD-2o14A:
undetectable		 1hshD-2o14A:
15.73
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.
2oca ATP-DEPENDENT DNA
HELICASE UVSW

(Escherichia
virus T4) 		PF00271
(Helicase_C)
PF04851
(ResIII) 		5 ALA A 237
GLY A 257
ILE A 132
ILE A 246
ILE A 242
 None
 1.48A 1hshD-2ocaA:
undetectable		 1hshD-2ocaA:
12.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oca ATP-DEPENDENT DNA
HELICASE UVSW

(Escherichia
virus T4) 		PF00271
(Helicase_C)
PF04851
(ResIII) 		5 ALA A 267
ILE A  51
PRO A  61
ILE A 246
ILE A 242
 None
 1.45A 1hshD-2ocaA:
undetectable		 1hshD-2ocaA:
12.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ols PHOSPHOENOLPYRUVATE
SYNTHASE

(Neisseria
meningitidis) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 ALA A 738
GLY A 698
ILE A 677
ILE A 771
ILE A 739
 None
 1.16A 1hshD-2olsA:
undetectable		 1hshD-2olsA:
8.56
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.
2pft EXOCYTOSIS PROTEIN

(Mus musculus) 		PF03081
(Exo70) 		5 ALA A 492
ILE A 530
PRO A 594
ILE A 593
ILE A 493
 None
 1.29A 1hshD-2pftA:
undetectable		 1hshD-2pftA:
10.66
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.
2pgw MUCONATE
CYCLOISOMERASE

(Sinorhizobium
meliloti) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  49
ILE A 305
PRO A 272
ILE A 313
ILE A 278
 None
 1.09A 1hshD-2pgwA:
undetectable		 1hshD-2pgwA:
15.03
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.
2pwz MALATE DEHYDROGENASE

(Escherichia
coli) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 128
GLY A 306
ILE A 303
PRO A 120
ILE A 116
 None
 1.50A 1hshD-2pwzA:
undetectable		 1hshD-2pwzA:
16.67
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.
2q3f RAS-RELATED
GTP-BINDING PROTEIN
D

(Homo sapiens) 		PF04670
(Gtr1_RagA) 		5 ALA A 121
GLY A 118
ILE A 115
ILE A  96
ILE A  46
 None
 1.22A 1hshD-2q3fA:
undetectable		 1hshD-2q3fA:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3

(Homo sapiens) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 ALA A  18
GLY A  12
PRO A  74
ILE A   8
ILE A   7
 None
None
SO4  A 701 (-4.8A)
None
None
 1.15A 1hshD-2qk4A:
undetectable		 1hshD-2qk4A:
13.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 ARG A 454
ALA A 447
GLY A 392
ILE A 381
ILE A 450
 None
None
CA  A 619 (-4.2A)
None
None
 1.24A 1hshD-2quaA:
undetectable		 1hshD-2quaA:
10.75
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 ARG A 454
ALA A 447
GLY A 392
ILE A 416
ILE A 450
 None
None
CA  A 619 (-4.2A)
None
None
 1.32A 1hshD-2quaA:
undetectable		 1hshD-2quaA:
10.75
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.
2rf7 CYTOCHROME C-552

(Escherichia
coli) 		PF02335
(Cytochrom_C552) 		5 ALA A  80
GLY A 445
PRO A 432
ILE A 434
ILE A  77
 None
 1.35A 1hshD-2rf7A:
undetectable		 1hshD-2rf7A:
13.52
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.
2rgw ASPARTATE
CARBAMOYLTRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ALA A 294
GLY A 288
ILE A 289
ILE A 122
ILE A 295
 None
 1.27A 1hshD-2rgwA:
undetectable		 1hshD-2rgwA:
16.72
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) 		7 ARG A   8
ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.48A 1hshD-2rkfA:
18.7		 1hshD-2rkfA:
49.49