SIMILAR PATTERNS OF AMINO ACIDS FOR 5E5J_A_017A201

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.
1bou 4,5-DIOXYGENASE BETA
CHAIN

(Sphingomonas
paucimobilis) 		PF02900
(LigB) 		5 LEU B 102
ALA B 175
GLY B 169
ILE B 148
ILE B 106
 None
 0.81A 5e5jA-1bouB:
undetectable		 5e5jA-1bouB:
14.95
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 LEU E  30
ASP E  32
GLY E  34
ASP E  37
ILE E 120
 None
 0.59A 5e5jA-1cziE:
6.6		 5e5jA-1cziE:
17.42
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.
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
 0.80A 5e5jA-1dkgD:
undetectable		 5e5jA-1dkgD:
15.45
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.
1g7r TRANSLATION
INITIATION FACTOR
IF2/EIF5B

(Methanothermobacter
thermautotrophicus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		6 LEU A 280
ALA A 312
ILE A 249
VAL A 318
ILE A 308
ILE A 310
 None
 1.32A 5e5jA-1g7rA:
undetectable		 5e5jA-1g7rA:
10.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 1.16A 5e5jA-1hvcA:
14.0		 5e5jA-1hvcA:
45.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
 1.17A 5e5jA-1hvcA:
14.0		 5e5jA-1hvcA:
45.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-3.6A)
 0.36A 5e5jA-1hvcA:
14.0		 5e5jA-1hvcA:
45.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-3.8A)
 0.37A 5e5jA-1hvcA:
14.0		 5e5jA-1hvcA:
45.32
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.
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
 0.76A 5e5jA-1hyhA:
undetectable		 5e5jA-1hyhA:
15.86
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.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		5 ASP A 215
GLY A 217
ILE A 222
GLY A  76
ILE A 300
 None
 0.84A 5e5jA-1mppA:
6.7		 5e5jA-1mppA:
14.68
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 5e5jA-1q9pA:
10.5		 5e5jA-1q9pA:
96.84
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.
1rp0 THIAZOLE
BIOSYNTHETIC ENZYME

(Arabidopsis
thaliana) 		PF01946
(Thi4) 		5 GLY A 194
ALA A 195
ILE A 246
VAL A 238
GLY A 240
 None
None
None
None
AHZ  A 600 (-3.5A)
 0.72A 5e5jA-1rp0A:
undetectable		 5e5jA-1rp0A:
18.22
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
GLY A  27
ALA A  28
ILE A  32
GLY A  48
ILE A  82
ILE A  84
 None
 0.70A 5e5jA-1sivA:
18.5		 5e5jA-1sivA:
53.54
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) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.19A 5e5jA-1sivA:
18.5		 5e5jA-1sivA:
53.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
VAL A  47
GLY A  49
ILE A  50
ILE A  82
ILE A  84
 None
 0.51A 5e5jA-1sivA:
18.5		 5e5jA-1sivA:
53.54
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.
1to3 PUTATIVE ALDOLASE
YIHT

(Salmonella
enterica) 		PF01791
(DeoC) 		5 LEU A 184
GLY A 188
ALA A 189
ASP A 190
ILE A 158
 None
 0.82A 5e5jA-1to3A:
undetectable		 5e5jA-1to3A:
15.13
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.
1xe1 HYPOTHETICAL PROTEIN
PF0907

(Pyrococcus
furiosus) 		PF14578
(GTP_EFTU_D4) 		6 GLY A  66
ASP A  41
ILE A  43
VAL A  97
ILE A  86
ILE A  88
 None
 1.10A 5e5jA-1xe1A:
undetectable		 5e5jA-1xe1A:
26.61
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.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		5 GLY A 211
ALA A 210
ILE A 125
GLY A 155
ILE A  41
 None
 0.73A 5e5jA-1y7wA:
undetectable		 5e5jA-1y7wA:
13.45
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.
2au1 IGG-DEGRADING
PROTEASE

(Streptococcus
pyogenes) 		PF09028
(Mac-1) 		5 GLY A 268
ALA A 269
ASP A 270
VAL A 298
ILE A 239
 None
 0.82A 5e5jA-2au1A:
undetectable		 5e5jA-2au1A:
17.61
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.
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
 0.61A 5e5jA-2bc0A:
undetectable		 5e5jA-2bc0A:
12.30
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.
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
 0.82A 5e5jA-2btyA:
undetectable		 5e5jA-2btyA:
18.79
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
GLY A  27
ALA A  28
GLY A  54
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.2A)
 0.57A 5e5jA-2fmbA:
15.1		 5e5jA-2fmbA:
30.77
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  55
ILE A  89
 None
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 (-4.2A)
 0.28A 5e5jA-2fmbA:
15.1		 5e5jA-2fmbA:
30.77
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.
2nnj CYTOCHROME P450 2C8

(Homo sapiens) 		PF00067
(p450) 		5 ALA A 436
ILE A 113
GLY A 298
ILE A 178
ILE A 112
 HEM  A 500 (-3.7A)
225  A 501 ( 4.3A)
HEM  A 500 (-3.4A)
None
HEM  A 500 (-4.1A)
 0.83A 5e5jA-2nnjA:
undetectable		 5e5jA-2nnjA:
13.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nv2 PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Bacillus
subtilis) 		PF01680
(SOR_SNZ) 		5 LEU A 223
GLY A 228
ALA A 229
ASP A 230
ILE A 157
 None
 0.61A 5e5jA-2nv2A:
undetectable		 5e5jA-2nv2A:
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.
2pa6 ENOLASE

(Methanocaldococcus
jannaschii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		6 GLY A 177
ALA A 178
ILE A 181
VAL A 185
GLY A 188
ILE A 173
 None
 1.39A 5e5jA-2pa6A:
undetectable		 5e5jA-2pa6A:
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.
2q27 OXALYL-COA
DECARBOXYLASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 505
ILE A 460
GLY A 426
ILE A 537
ILE A 457
 None
 0.74A 5e5jA-2q27A:
undetectable		 5e5jA-2q27A:
12.50
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
ASP A  29
ILE A  32
GLY A  48
ILE A  84
 AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.5A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.80A 5e5jA-2rkfA:
20.8		 5e5jA-2rkfA:
84.85
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
VAL A  47
GLY A  49
ILE A  50
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.5A)
AB1  A 501 ( 4.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 ( 4.2A)
 0.36A 5e5jA-2rkfA:
20.8		 5e5jA-2rkfA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		7 LEU A  35
ASP A  37
GLY A  39
ALA A  40
ASP A  41
ILE A  44
ILE A 108
 None
 0.33A 5e5jA-2rspA:
12.8		 5e5jA-2rspA:
33.60
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 LEU A 188
GLY A 255
ALA A 254
ILE A 248
ILE A 185
 None
 0.82A 5e5jA-2wskA:
undetectable		 5e5jA-2wskA:
8.40
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.
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
 0.80A 5e5jA-2yxeA:
undetectable		 5e5jA-2yxeA:
20.66
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.
3c5w PP2A A SUBUNIT

(Homo sapiens) 		PF02985
(HEAT)
PF13646
(HEAT_2) 		5 LEU A 567
ALA A 582
GLY A 548
ILE A 547
ILE A 563
 None
 0.79A 5e5jA-3c5wA:
undetectable		 5e5jA-3c5wA:
19.64
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.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 LEU A 754
ALA A 764
ASP A 759
ILE A 816
ILE A 756
 None
 0.83A 5e5jA-3cttA:
undetectable		 5e5jA-3cttA:
8.73
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.
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)
 0.76A 5e5jA-3e4eA:
undetectable		 5e5jA-3e4eA:
13.90
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.
3fs1 HEPATOCYTE NUCLEAR
FACTOR 4-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 263
GLY A 222
ALA A 223
VAL A 178
ILE A 338
ILE A 259
 None
None
MYR  A 500 (-3.5A)
None
None
None
 1.03A 5e5jA-3fs1A:
undetectable		 5e5jA-3fs1A:
20.35
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.
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
 0.68A 5e5jA-3glaA:
undetectable		 5e5jA-3glaA:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		5 GLY A 121
ALA A 122
ASP A 123
ILE A  89
ILE A 126
 None
 0.66A 5e5jA-3gveA:
undetectable		 5e5jA-3gveA:
14.41
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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 211
GLY A 216
ALA A 217
ASP A 218
ILE A 190
 None
 0.70A 5e5jA-3jv7A:
undetectable		 5e5jA-3jv7A:
16.47
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) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 None
 0.43A 5e5jA-3mwsA:
19.5		 5e5jA-3mwsA:
76.77
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 None
 0.32A 5e5jA-3mwsA:
19.5		 5e5jA-3mwsA:
76.77
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.
3q94 FRUCTOSE-BISPHOSPHAT
E ALDOLASE, CLASS II

(Bacillus
anthracis) 		PF01116
(F_bP_aldolase) 		5 GLY A 274
ILE A  34
VAL A  45
GLY A  21
ILE A 230
 None
 0.72A 5e5jA-3q94A:
undetectable		 5e5jA-3q94A:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
GLY A  34
ALA A  35
VAL A  54
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
3TL  A 126 (-3.3A)
3TL  A 126 (-3.4A)
 0.33A 5e5jA-3slzA:
11.5		 5e5jA-3slzA:
25.95
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.
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
 0.74A 5e5jA-3stiA:
undetectable		 5e5jA-3stiA:
18.41
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) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 SO4  A 101 (-4.2A)
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)
 0.38A 5e5jA-3t3cA:
18.3		 5e5jA-3t3cA:
72.73
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.
3t44 INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00218
(IGPS) 		5 ALA A 238
ASP A 237
VAL A 185
GLY A 187
ILE A  55
 None
 0.82A 5e5jA-3t44A:
undetectable		 5e5jA-3t44A:
15.19
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) 		11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
VAL A  47
GLY A  49
ILE A  50
ILE A  84
 None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
None
017  A 201 ( 4.9A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.7A)
 0.40A 5e5jA-3ttpA:
19.7		 5e5jA-3ttpA:
78.79
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 LEU A  23
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)
 0.24A 5e5jA-3u7sA:
20.0		 5e5jA-3u7sA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  32
 None
 0.25A 5e5jA-3uhlA:
16.1		 5e5jA-3uhlA:
81.82
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.
4avo BETA-1,4-EXOCELLULAS
E

(Thermobifida
fusca) 		PF01341
(Glyco_hydro_6) 		5 LEU A 178
ILE A 271
GLY A 313
ILE A 315
ILE A 219
 None
 0.80A 5e5jA-4avoA:
undetectable		 5e5jA-4avoA:
14.00
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.
4hvl MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
thermoresistibile) 		PF00082
(Peptidase_S8) 		5 GLY A 195
ALA A 196
GLY A 106
ILE A 188
ILE A 199
 None
 0.81A 5e5jA-4hvlA:
undetectable		 5e5jA-4hvlA:
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.
4ida RIPENING-INDUCED
PROTEIN

(Fragaria vesca) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 LEU A 203
GLY A 208
ALA A 209
ASP A 210
ILE A 179
 None
 0.78A 5e5jA-4idaA:
undetectable		 5e5jA-4idaA:
17.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iql ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE
II

(Porphyromonas
gingivalis) 		PF03060
(NMO) 		5 GLY A  43
ALA A  42
ILE A  83
VAL A  91
ILE A  79
 FMN  A 401 (-4.8A)
None
None
None
None
 0.75A 5e5jA-4iqlA:
undetectable		 5e5jA-4iqlA:
14.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iqr HEPATOCYTE NUCLEAR
FACTOR 4-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		6 LEU A 263
GLY A 222
ALA A 223
VAL A 178
ILE A 338
ILE A 259
 None
None
MYR  A 401 ( 3.7A)
None
None
None
 1.03A 5e5jA-4iqrA:
undetectable		 5e5jA-4iqrA:
14.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jd0 NUCLEOTIDYL
TRANSFERASE

(Thermotoga
maritima) 		PF00483
(NTP_transferase) 		5 LEU A   7
ALA A   4
VAL A  71
GLY A  73
ILE A  74
 GOL  A 314 (-4.7A)
None
None
None
None
 0.79A 5e5jA-4jd0A:
undetectable		 5e5jA-4jd0A:
21.13
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.
4jrm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Vibrio cholerae) 		no annotation 5 LEU D 147
GLY D 189
GLY D 235
ILE D  79
ILE D 143
 None
 0.71A 5e5jA-4jrmD:
undetectable		 5e5jA-4jrmD:
11.35
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.
4lac PP2A SCAFFOLD
SUBUNIT A,
TRUNCATED, AN
INTERNAL DELETION OF
PP2A A

(Homo sapiens) 		PF02985
(HEAT)
PF13646
(HEAT_2) 		5 LEU A 567
ALA A 582
GLY A 548
ILE A 547
ILE A 563
 None
 0.74A 5e5jA-4lacA:
undetectable		 5e5jA-4lacA:
19.64
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.
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
 0.78A 5e5jA-4lsmA:
undetectable		 5e5jA-4lsmA:
17.54
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) 		5 ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.68A 5e5jA-4njvA:
20.4		 5e5jA-4njvA:
82.83
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 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.20A 5e5jA-4njvA:
20.4		 5e5jA-4njvA:
82.83
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 None
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 (-4.3A)
 0.37A 5e5jA-4njvA:
20.4		 5e5jA-4njvA:
82.83
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) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 None
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 (-4.3A)
RIT  A 500 (-4.3A)
 0.30A 5e5jA-4njvA:
20.4		 5e5jA-4njvA:
82.83
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.
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
 0.76A 5e5jA-4nkyA:
undetectable		 5e5jA-4nkyA:
13.03
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.
4opm LIPASE

(Acinetobacter
baumannii) 		PF12697
(Abhydrolase_6) 		5 LEU A  72
ALA A 150
GLY A 155
ILE A 138
ILE A 140
 None
 0.72A 5e5jA-4opmA:
undetectable		 5e5jA-4opmA:
15.91
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.
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
 0.83A 5e5jA-4ox2A:
undetectable		 5e5jA-4ox2A:
10.14
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.
4rcd BETA-SECRETASE 1

(Homo sapiens) 		PF00026
(Asp) 		5 LEU A  30
ASP A  32
GLY A  34
VAL A  69
ILE A 118
 3LL  A 501 (-4.2A)
3LL  A 501 (-2.8A)
3LL  A 501 ( 3.9A)
None
3LL  A 501 (-4.6A)
 0.80A 5e5jA-4rcdA:
6.5		 5e5jA-4rcdA:
15.43
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.
4rgh PROTEIN DDI1 HOMOLOG
2

(Homo sapiens) 		PF09668
(Asp_protease) 		5 ASP A 220
GLY A 222
ALA A 223
ILE A 227
GLY A 252
 None
 0.84A 5e5jA-4rghA:
10.6		 5e5jA-4rghA:
19.53
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.
4rml LATROPHILIN-3

(Mus musculus) 		PF02191
(OLF) 		5 ALA A 334
GLY A 386
ILE A 387
ILE A 353
ILE A 343
 None
 0.82A 5e5jA-4rmlA:
undetectable		 5e5jA-4rmlA:
15.89
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.
4to8 FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE,
CLASS II

(Staphylococcus
aureus) 		PF01116
(F_bP_aldolase) 		5 GLY A 274
ILE A  34
VAL A  45
GLY A  21
ILE A 230
 None
 0.74A 5e5jA-4to8A:
undetectable		 5e5jA-4to8A:
16.90
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) 		8 LEU A  30
ASP A  32
GLY A  34
ALA A  35
ASP A  36
VAL A  56
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.41A 5e5jA-4ydfA:
12.9		 5e5jA-4ydfA:
33.04
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.
4yo1 DEGQ

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 LEU A 331
ILE A 294
GLY A 243
ILE A 322
ILE A 320
 None
 0.75A 5e5jA-4yo1A:
undetectable		 5e5jA-4yo1A:
14.78
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.
4yvd PLEIOTROPIC
REGULATOR 1

(Homo sapiens) 		PF00400
(WD40) 		5 LEU A 478
GLY A 236
ILE A 230
ILE A 210
ILE A 486
 None
 0.71A 5e5jA-4yvdA:
undetectable		 5e5jA-4yvdA:
14.25
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
ASP A  29
ASP A  30
VAL A  47
ILE A  84
 None
 0.58A 5e5jA-5b18A:
18.1		 5e5jA-5b18A:
75.76
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
 0.26A 5e5jA-5b18A:
18.1		 5e5jA-5b18A:
75.76
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
 0.70A 5e5jA-5b18A:
18.1		 5e5jA-5b18A:
75.76
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.
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
 0.71A 5e5jA-5c9dA:
8.5		 5e5jA-5c9dA:
21.32
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.
5cmn LATROPHILIN-3

(Homo sapiens) 		PF02191
(OLF) 		5 ALA E 266
GLY E 318
ILE E 319
ILE E 285
ILE E 275
 None
 0.74A 5e5jA-5cmnE:
undetectable		 5e5jA-5cmnE:
17.31
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.
5cw2 PUTATIVE EPOXIDE
HYDROLASE EPHA

(Mycolicibacterium
thermoresistibile) 		no annotation 5 LEU C 315
GLY C  53
ALA C  52
ILE C  46
ILE C 312
 None
 0.78A 5e5jA-5cw2C:
undetectable		 5e5jA-5cw2C:
15.52
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.
5ejb FUSION GLYCOPROTEIN
F0

(Hendra
henipavirus) 		no annotation 5 LEU B 172
ALA B 234
ILE B 276
ILE B  57
ILE B  59
 None
 0.81A 5e5jA-5ejbB:
undetectable		 5e5jA-5ejbB:
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.
5erb POLYKETIDE SYNTHASE

(Bacillus
amyloliquefaciens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		6 LEU A 187
GLY A 208
ALA A 207
ILE A  14
ILE A 441
ILE A 190
 None
 1.20A 5e5jA-5erbA:
undetectable		 5e5jA-5erbA:
11.53
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.
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
 0.84A 5e5jA-5f42A:
undetectable		 5e5jA-5f42A:
17.09
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.
5ftt ADHESION G
PROTEIN-COUPLED
RECEPTOR L3

(Mus musculus) 		PF02140
(Gal_Lectin)
PF02191
(OLF) 		5 ALA C 334
GLY C 386
ILE C 387
ILE C 353
ILE C 343
 None
 0.82A 5e5jA-5fttC:
undetectable		 5e5jA-5fttC:
14.78
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.
5gan PRE-MRNA-PROCESSING
FACTOR 31

(Saccharomyces
cerevisiae) 		PF01798
(Nop)
PF09785
(Prp31_C) 		5 GLY F 247
ILE F 222
GLY F 215
ILE F 214
ILE F 225
 None
 0.72A 5e5jA-5ganF:
undetectable		 5e5jA-5ganF:
13.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5il5 MLND

(Bacillus
velezensis) 		PF14765
(PS-DH) 		5 GLY A1310
ALA A1309
ILE A1278
ILE A1303
ILE A1341
 None
 0.65A 5e5jA-5il5A:
undetectable		 5e5jA-5il5A:
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.
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
 0.79A 5e5jA-5ldnA:
undetectable		 5e5jA-5ldnA:
7.80
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.
5oi9 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Trichoplax
adhaerens) 		no annotation 5 LEU A 343
GLY A 185
ILE A  84
VAL A 115
ILE A  38
 None
 0.80A 5e5jA-5oi9A:
undetectable		 5e5jA-5oi9A:
25.53
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 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.20A 5e5jA-5t2zA:
20.3		 5e5jA-5t2zA:
78.79
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) 		9 LEU A  23
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
 0.31A 5e5jA-5t2zA:
20.3		 5e5jA-5t2zA:
78.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.81A 5e5jA-5w4bA:
undetectable		 5e5jA-5w4bA:
14.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zgb PSAL

(Cyanidioschyzon
merolae) 		no annotation 5 LEU L  89
GLY L  51
ALA L 125
ILE L  83
ILE L  86
 BCR  L 205 (-3.7A)
None
None
None
None
 0.83A 5e5jA-5zgbL:
undetectable		 5e5jA-5zgbL:
24.75
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.
6bo7 HYPOXANTHINE
PHOSPHORIBOSYLTRANSF
ERASE

(Plasmodium
vivax) 		no annotation 5 GLY A  24
ILE A 193
VAL A 198
ILE A  17
ILE A  19
 None
None
YPG  A 303 (-4.3A)
None
None
 0.61A 5e5jA-6bo7A:
undetectable		 5e5jA-6bo7A:
22.86
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.
6bs7 ADENYLOSUCCINATE
SYNTHETASE

(Legionella
pneumophila) 		no annotation 5 GLY A  72
ILE A 100
VAL A 149
ILE A 107
ILE A  69
 None
 0.80A 5e5jA-6bs7A:
undetectable		 5e5jA-6bs7A:
18.81
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.
6bxa TOLL-LIKE RECEPTOR
5B, VARIABLE
LYMPHOCYTE RECEPTOR
B CHIMERA
VARIABLE LYMPHOCYTE
RECEPTOR 2

(Danio rerio;
Eptatretus
burgeri;
Petromyzon
marinus) 		no annotation 5 LEU A  56
ILE A  33
VAL C  53
GLY C  55
ILE A  35
 None
 0.79A 5e5jA-6bxaA:
undetectable		 5e5jA-6bxaA:
22.52
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.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		7 LEU A  28
ASP A  30
GLY A  32
ALA A  33
ASP A  34
ILE A  37
GLY A  58
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 ( 4.8A)
3TL  A 201 (-3.4A)
 0.33A 5e5jA-6fivA:
15.7		 5e5jA-6fivA:
29.06
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
GLY A  49
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 ( 3.8A)
None
 0.62A 5e5jA-6upjA:
18.0		 5e5jA-6upjA:
52.53
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 LEU A  23
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
 0.63A 5e5jA-6upjA:
18.0		 5e5jA-6upjA:
52.53
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  32
VAL A  47
GLY A  49
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 ( 3.8A)
None
 0.63A 5e5jA-6upjA:
18.0		 5e5jA-6upjA:
52.53
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  32
VAL A  47
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
 0.74A 5e5jA-6upjA:
18.0		 5e5jA-6upjA:
52.53
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 LEU A  23
ASP A  25
GLY A  27
ASP A  29
ASP A  30
ILE A  32
GLY A  49
ILE A  50
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
None
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.68A 5e5jA-6upjA:
18.0		 5e5jA-6upjA:
52.53
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 LEU A  23
ASP A  25
GLY A  27
ASP A  30
ILE A  32
VAL A  47
GLY A  49
ILE A  50
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
None
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.70A 5e5jA-6upjA:
18.0		 5e5jA-6upjA:
52.53
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.
1bou 4,5-DIOXYGENASE BETA
CHAIN

(Sphingomonas
paucimobilis) 		PF02900
(LigB) 		5 LEU B 102
ALA B 175
GLY B 169
ILE B 148
ILE B 106
 None
 0.88A 5e5jB-1bouB:
undetectable		 5e5jB-1bouB:
14.95
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 LEU E  30
ASP E  32
GLY E  34
ASP E  37
ILE E 120
 None
 0.73A 5e5jB-1cziE:
6.7		 5e5jB-1cziE:
17.42
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.
1d2i PROTEIN (RESTRICTION
ENDONUCLEASE BGLII)

(Bacillus
subtilis) 		PF09195
(Endonuc-BglII) 		5 ILE A  70
GLY A 123
PRO A  73
ILE A  72
ILE A  83
 None
 0.87A 5e5jB-1d2iA:
undetectable		 5e5jB-1d2iA:
20.92
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.
1fr9 MOLYBDOPTERIN-GUANIN
E DINUCLEOTIDE
BIOSYNTHESIS PROTEIN

(Escherichia
coli) 		PF12804
(NTP_transf_3) 		6 ALA A  42
ASP A  41
GLY A   9
ILE A   7
ILE A 135
ILE A 105
 None
 1.42A 5e5jB-1fr9A:
undetectable		 5e5jB-1fr9A:
20.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.6A)
 1.31A 5e5jB-1hvcA:
14.3		 5e5jB-1hvcA:
45.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
PRO A  81
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 1.35A 5e5jB-1hvcA:
14.3		 5e5jB-1hvcA:
45.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ALA A  28
GLY A  48
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-3.6A)
A79  A 800 (-3.6A)
 0.80A 5e5jB-1hvcA:
14.3		 5e5jB-1hvcA:
45.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.95A 5e5jB-1hvcA:
14.3		 5e5jB-1hvcA:
45.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
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 ( 3.8A)
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)
 0.49A 5e5jB-1hvcA:
14.3		 5e5jB-1hvcA:
45.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
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 ( 4.0A)
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)
 0.43A 5e5jB-1hvcA:
14.3		 5e5jB-1hvcA:
45.32
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.
1ig8 HEXOKINASE PII

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		6 ARG A 394
LEU A  41
GLY A 399
ALA A 401
ILE A 453
ILE A 438
 None
 1.34A 5e5jB-1ig8A:
undetectable		 5e5jB-1ig8A:
11.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j2z ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Helicobacter
pylori) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		6 GLY A 139
ALA A 120
ILE A  94
GLY A  97
ILE A 102
ILE A 125
 SOG  A 409 ( 4.8A)
SOG  A 409 (-3.6A)
None
None
None
None
 1.31A 5e5jB-1j2zA:
undetectable		 5e5jB-1j2zA:
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.
1kae HISTIDINOL
DEHYDROGENASE

(Escherichia
coli) 		PF00815
(Histidinol_dh) 		5 GLY A 227
ALA A 228
ASP A 204
GLY A 196
ILE A 206
 None
 0.86A 5e5jB-1kaeA:
undetectable		 5e5jB-1kaeA:
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.
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
 0.85A 5e5jB-1kz1A:
undetectable		 5e5jB-1kz1A:
27.82
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.
1l1f GLUTAMATE
DEHYDROGENASE 1

(Homo sapiens) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		6 GLY A 192
ALA A 198
GLY A 165
ILE A 166
PRO A 169
ILE A 183
 None
 1.28A 5e5jB-1l1fA:
undetectable		 5e5jB-1l1fA:
13.56
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.
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
 0.87A 5e5jB-1l5jA:
undetectable		 5e5jB-1l5jA:
9.65
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.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		5 ASP A 215
GLY A 217
ILE A 222
GLY A  76
ILE A 300
 None
 0.85A 5e5jB-1mppA:
7.0		 5e5jB-1mppA:
14.68
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.
1nnw HYPOTHETICAL PROTEIN

(Pyrococcus
furiosus) 		no annotation 6 LEU A 238
GLY A  45
ILE A 245
GLY A 196
ILE A 233
ILE A 242
 None
 1.19A 5e5jB-1nnwA:
undetectable		 5e5jB-1nnwA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pv9 XAA-PRO DIPEPTIDASE

(Pyrococcus
furiosus) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		6 LEU A 261
GLY A 336
ALA A 337
GLY A 307
PRO A 294
ILE A 296
 None
 1.42A 5e5jB-1pv9A:
undetectable		 5e5jB-1pv9A:
15.50
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  30
PRO A  81
ILE A  84
 None
 0.68A 5e5jB-1q9pA:
10.5		 5e5jB-1q9pA:
96.84
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.
1rdr POLIOVIRUS 3D
POLYMERASE

(Enterovirus C) 		PF00680
(RdRP_1) 		5 LEU A  85
ALA A 197
GLY A 192
ILE A 256
ILE A  90
 None
 0.78A 5e5jB-1rdrA:
undetectable		 5e5jB-1rdrA:
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.
1rf5 5-ENOLPYRUVYLSHIKIMA
TE-3-PHOSPHATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		6 ARG A 270
ASP A 312
GLY A 257
ILE A 258
ILE A 269
ILE A 265
 None
 1.43A 5e5jB-1rf5A:
undetectable		 5e5jB-1rf5A:
14.96
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 ARG A   8
LEU A  23
ALA A  28
ASP A  29
PRO A  81
ILE A  82
ILE A  84
 None
 1.35A 5e5jB-1sivA:
18.4		 5e5jB-1sivA:
53.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  82
ILE A  84
 None
 0.48A 5e5jB-1sivA:
18.4		 5e5jB-1sivA:
53.54
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  32
GLY A  48
PRO A  81
ILE A  82
ILE A  84
 None
 0.82A 5e5jB-1sivA:
18.4		 5e5jB-1sivA:
53.54
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.
1tww DHPS,
DIHYDROPTEROATE
SYNTHASE

(Bacillus
anthracis) 		PF00809
(Pterin_bind) 		5 LEU A 214
ILE A 122
GLY A  63
ILE A  62
ILE A 143
 HH2  A 282 ( 4.9A)
HH2  A 282 (-4.6A)
None
None
HH2  A 282 (-4.1A)
 0.85A 5e5jB-1twwA:
undetectable		 5e5jB-1twwA:
18.68
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.
1vct HYPOTHETICAL PROTEIN
PH0236

(Pyrococcus
horikoshii) 		PF01895
(PhoU)
PF02080
(TrkA_C) 		5 GLY A 149
ASP A 143
ILE A 200
ILE A 126
ILE A 197
 None
 0.84A 5e5jB-1vctA:
undetectable		 5e5jB-1vctA:
20.69
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.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		6 ARG A 250
LEU A 184
GLY A 180
ALA A 179
GLY A 242
ILE A 243
 None
 1.37A 5e5jB-1yw6A:
undetectable		 5e5jB-1yw6A:
17.39
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.
1z7s HUMAN COXSACKIEVIRUS
A21

(Enterovirus C) 		PF00073
(Rhv) 		5 GLY 2 188
ALA 2 187
ASP 2 178
GLY 2 123
ILE 2 127
 None
 0.88A 5e5jB-1z7s2:
undetectable		 5e5jB-1z7s2:
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.
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
 0.88A 5e5jB-2btyA:
undetectable		 5e5jB-2btyA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2djz 235AA LONG
HYPOTHETICAL
BIOTIN-[ACETYL-COA-C
ARBOXYLASE] LIGASE

(Pyrococcus
horikoshii) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		6 GLY A 129
ALA A 113
ASP A 104
GLY A  85
ILE A  95
ILE A 112
 BT5  A1301 (-3.7A)
None
BT5  A1301 (-3.3A)
None
None
None
 1.23A 5e5jB-2djzA:
undetectable		 5e5jB-2djzA:
22.03
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.
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 217
 None
 0.88A 5e5jB-2dwsA:
undetectable		 5e5jB-2dwsA:
16.40
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) 		8 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.55A 5e5jB-2fmbA:
15.0		 5e5jB-2fmbA:
30.77
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
LEU A  23
ASP A  25
GLY A  27
ILE A  85
GLY A  55
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
None
LP1  A 201 (-3.4A)
 1.33A 5e5jB-2fmbA:
15.0		 5e5jB-2fmbA:
30.77
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  54
PRO A  86
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.92A 5e5jB-2fmbA:
15.0		 5e5jB-2fmbA:
30.77
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.
2fno AGR_PAT_752P

(Agrobacterium
fabrum) 		no annotation 5 LEU A  44
GLY A  58
GLY A  19
ILE A  22
ILE A  41
 None
 0.86A 5e5jB-2fnoA:
undetectable		 5e5jB-2fnoA:
19.30
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.
2g4r MOLYBDOPTERIN
BIOSYNTHESIS MOG
PROTEIN

(Mycobacterium
tuberculosis) 		PF00994
(MoCF_biosynth) 		5 GLY A 115
ASP A  97
GLY A 118
ILE A 125
ILE A  99
 None
TRS  A 301 (-2.8A)
None
None
None
 0.78A 5e5jB-2g4rA:
undetectable		 5e5jB-2g4rA:
21.12
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.
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)
 0.67A 5e5jB-2isqA:
undetectable		 5e5jB-2isqA:
16.35
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.
2m4l PROTEIN BT_0846

(Bacteroides
thetaiotaomicron) 		no annotation 5 LEU A   7
ILE A  13
GLY A  35
ILE A  55
ILE A  12
 None
 0.88A 5e5jB-2m4lA:
undetectable		 5e5jB-2m4lA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nnj CYTOCHROME P450 2C8

(Homo sapiens) 		PF00067
(p450) 		5 ALA A 436
ILE A 113
GLY A 298
ILE A 178
ILE A 112
 HEM  A 500 (-3.7A)
225  A 501 ( 4.3A)
HEM  A 500 (-3.4A)
None
HEM  A 500 (-4.1A)
 0.88A 5e5jB-2nnjA:
undetectable		 5e5jB-2nnjA:
13.02
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 GLY A 355
GLY A  49
ILE A 305
PRO A 272
ILE A 313
ILE A 278
 None
 1.17A 5e5jB-2pgwA:
undetectable		 5e5jB-2pgwA:
15.28
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.
2pgw MUCONATE
CYCLOISOMERASE

(Sinorhizobium
meliloti) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 LEU A  36
GLY A  47
ALA A 112
ASP A 110
ILE A 109
ILE A  37
 None
 1.49A 5e5jB-2pgwA:
undetectable		 5e5jB-2pgwA:
15.28
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.
2q27 OXALYL-COA
DECARBOXYLASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 505
ILE A 460
GLY A 426
ILE A 537
ILE A 457
 None
 0.76A 5e5jB-2q27A:
undetectable		 5e5jB-2q27A:
12.50
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.
2qen WALKER-TYPE ATPASE

(Pyrococcus
abyssi) 		PF01637
(ATPase_2) 		6 ARG A 297
LEU A 300
ALA A 290
ASP A 286
ILE A 287
ILE A 301
 None
 1.44A 5e5jB-2qenA:
undetectable		 5e5jB-2qenA:
15.12
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 6 ARG A 454
ALA A 447
ASP A 448
GLY A 392
ILE A 416
ILE A 450
 None
None
None
CA  A 619 (-4.2A)
None
None
 1.44A 5e5jB-2quaA:
undetectable		 5e5jB-2quaA:
9.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rbc SUGAR KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		6 ARG A  75
LEU A  18
GLY A  45
ILE A 103
GLY A 290
ILE A 292
 CL  A 327 (-4.5A)
None
GOL  A 333 ( 4.1A)
None
None
None
 1.29A 5e5jB-2rbcA:
undetectable		 5e5jB-2rbcA:
13.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ALA A  28
ASP A  29
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 1.48A 5e5jB-2rkfA:
21.0		 5e5jB-2rkfA:
84.85
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
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
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)
 0.55A 5e5jB-2rkfA:
21.0		 5e5jB-2rkfA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ALA A  28
ILE A  32
GLY A  48
PRO A  81
ILE A  84
 None
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)
 1.01A 5e5jB-2rkfA:
21.0		 5e5jB-2rkfA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		7 ARG A  10
LEU A  35
ASP A  37
GLY A  39
ALA A  40
ILE A  44
ILE A 108
 None
 0.85A 5e5jB-2rspA:
12.8		 5e5jB-2rspA:
33.60
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 LEU A 188
GLY A 255
ALA A 254
ILE A 248
ILE A 185
 None
 0.77A 5e5jB-2wskA:
undetectable		 5e5jB-2wskA:
8.40
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.
2x40 BETA-GLUCOSIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 LEU A 116
GLY A 159
ALA A 160
ILE A 162
GLY A 237
 GOL  A1726 ( 4.8A)
None
None
None
None
 0.85A 5e5jB-2x40A:
undetectable		 5e5jB-2x40A:
8.76
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.
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
 0.86A 5e5jB-2yvtA:
undetectable		 5e5jB-2yvtA:
19.69
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.
2zvy CHEMOTAXIS PROTEIN
MOTB

(Salmonella
enterica) 		PF00691
(OmpA) 		6 LEU A 123
ALA A 179
ASP A 175
ILE A 176
ILE A 151
ILE A 180
 None
 1.49A 5e5jB-2zvyA:
undetectable		 5e5jB-2zvyA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		6 GLY A 283
ALA A 284
ILE A 453
GLY A 450
ILE A 449
ILE A 385
 None
 1.37A 5e5jB-3a2qA:
undetectable		 5e5jB-3a2qA:
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.
3abi PUTATIVE
UNCHARACTERIZED
PROTEIN PH1688

(Pyrococcus
horikoshii) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		6 LEU A 325
ALA A 116
ASP A  90
GLY A 300
ILE A 309
ILE A 306
 None
 1.48A 5e5jB-3abiA:
undetectable		 5e5jB-3abiA:
11.94
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.
3abi PUTATIVE
UNCHARACTERIZED
PROTEIN PH1688

(Pyrococcus
horikoshii) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		6 LEU A 325
GLY A 121
ASP A  90
GLY A 300
ILE A 309
ILE A 306
 None
 1.44A 5e5jB-3abiA:
undetectable		 5e5jB-3abiA:
11.94
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.
3ax6 PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Thermotoga
maritima) 		PF02222
(ATP-grasp) 		5 LEU A  18
GLY A  13
ILE A 282
GLY A   5
ILE A  28
 None
 0.84A 5e5jB-3ax6A:
undetectable		 5e5jB-3ax6A:
17.61
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.
3b48 UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF03610
(EIIA-man) 		5 LEU A  65
GLY A 102
ALA A 103
ILE A  33
ILE A   5
 None
 0.74A 5e5jB-3b48A:
undetectable		 5e5jB-3b48A:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bw8 MONO-ADP-RIBOSYLTRAN
SFERASE C3

(Hathewaya
limosa) 		PF03496
(ADPrib_exo_Tox) 		5 LEU A 104
GLY A  93
ASP A  98
ILE A 110
ILE A 103
 None
 0.86A 5e5jB-3bw8A:
undetectable		 5e5jB-3bw8A:
20.93
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.
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
 0.86A 5e5jB-3czqA:
undetectable		 5e5jB-3czqA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.84A 5e5jB-3e4eA:
undetectable		 5e5jB-3e4eA:
13.90
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.
3gf7 GLUTACONYL-COA
DECARBOXYLASE
SUBUNIT A

([Clostridium]
symbiosum) 		PF01039
(Carboxyl_trans) 		5 LEU A 148
GLY A 191
ALA A 213
GLY A 256
ILE A 189
 None
 0.85A 5e5jB-3gf7A:
undetectable		 5e5jB-3gf7A:
10.50
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.
3h6t GLUTAMATE RECEPTOR 2

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		5 LEU A  39
ALA A 237
GLY A 231
ILE A  87
ILE A  43
 None
 0.88A 5e5jB-3h6tA:
undetectable		 5e5jB-3h6tA:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3htn PUTATIVE DNA BINDING
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF03479
(DUF296) 		5 LEU A 117
GLY A 157
ILE A 152
ILE A 134
ILE A 114
 None
 0.84A 5e5jB-3htnA:
undetectable		 5e5jB-3htnA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5e5jB-3k92A:
undetectable		 5e5jB-3k92A:
15.12
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.
3khz PUTATIVE DIPEPTIDASE
SACOL1801

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20) 		5 LEU A 130
GLY A  73
ALA A  72
GLY A  80
ILE A 127
 None
 0.84A 5e5jB-3khzA:
undetectable		 5e5jB-3khzA:
13.15
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.
3kkl PROBABLE CHAPERONE
PROTEIN HSP33

(Saccharomyces
cerevisiae) 		no annotation 6 LEU A 156
GLY A 159
ALA A 196
ILE A 210
PRO A 141
ILE A 157
 None
 1.37A 5e5jB-3kklA:
undetectable		 5e5jB-3kklA:
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.
3l49 ABC SUGAR (RIBOSE)
TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
SUBUNIT

(Rhodobacter
sphaeroides) 		PF13407
(Peripla_BP_4) 		5 LEU A 105
ILE A 113
GLY A  35
ILE A  36
ILE A 108
 None
 0.86A 5e5jB-3l49A:
undetectable		 5e5jB-3l49A:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mso STEROID
DELTA-ISOMERASE

(Pseudomonas
aeruginosa) 		PF12680
(SnoaL_2) 		5 LEU A  33
GLY A  28
GLY A  19
ILE A  21
ILE A 109
 None
 0.82A 5e5jB-3msoA:
undetectable		 5e5jB-3msoA:
17.81
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.
3mt0 UNCHARACTERIZED
PROTEIN PA1789

(Pseudomonas
aeruginosa) 		PF00582
(Usp) 		5 LEU A  89
ALA A  24
GLY A  29
ILE A   4
ILE A   7
 None
None
None
CL  A 290 ( 4.7A)
None
 0.86A 5e5jB-3mt0A:
undetectable		 5e5jB-3mt0A:
16.84
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) 		10 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.42A 5e5jB-3mwsA:
19.9		 5e5jB-3mwsA:
76.77
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) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 None
 0.92A 5e5jB-3mwsA:
19.9		 5e5jB-3mwsA:
76.77
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.
3n05 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Streptomyces
avermitilis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 GLY A 432
ILE A 329
GLY A 334
ILE A 335
ILE A 343
 None
 0.85A 5e5jB-3n05A:
undetectable		 5e5jB-3n05A:
9.14
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.
3noy 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Aquifex
aeolicus) 		PF04551
(GcpE) 		5 LEU A 198
GLY A 201
ILE A  23
GLY A 220
ILE A 221
 None
 0.88A 5e5jB-3noyA:
undetectable		 5e5jB-3noyA:
13.65
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.
3oad RENIN

(Homo sapiens) 		PF00026
(Asp) 		5 LEU B 224
ASP B 226
GLY B 228
ALA B 229
ILE B 305
 None
 0.62A 5e5jB-3oadB:
4.7		 5e5jB-3oadB:
25.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p3v PTS SYSTEM,
N-ACETYLGALACTOSAMIN
E-SPECIFIC IIB
COMPONENT

(Streptococcus
pyogenes) 		PF03830
(PTSIIB_sorb) 		6 ALA A  35
ASP A  89
ILE A  70
PRO A  99
ILE A   6
ILE A  82
 None
 1.15A 5e5jB-3p3vA:
undetectable		 5e5jB-3p3vA:
25.30
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.
3p9x PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Bacillus
halodurans) 		PF00551
(Formyl_trans_N) 		6 LEU A  34
GLY A  88
ALA A  87
ILE A  18
ILE A 105
ILE A   6
 None
 1.31A 5e5jB-3p9xA:
undetectable		 5e5jB-3p9xA:
18.59
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.
3pmo UDP-3-O-[3-HYDROXYMY
RISTOYL] GLUCOSAMINE
N-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00132
(Hexapep)
PF04613
(LpxD) 		6 GLY A 260
ALA A 241
ILE A 218
GLY A 221
ILE A 246
ILE A 240
 None
 1.33A 5e5jB-3pmoA:
undetectable		 5e5jB-3pmoA:
14.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r7a PHOSPHOGLYCERATE
MUTASE, PUTATIVE

(Bacillus
anthracis) 		PF00300
(His_Phos_1) 		5 GLY A  98
ALA A 145
ASP A 147
ILE A 133
ILE A 136
 None
 0.88A 5e5jB-3r7aA:
undetectable		 5e5jB-3r7aA:
17.72
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
GLY A  34
ALA A  35
GLY A  56
PRO A  89
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
3TL  A 126 (-3.4A)
3TL  A 126 (-4.0A)
 0.76A 5e5jB-3slzA:
11.3		 5e5jB-3slzA:
25.95
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.
3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE

(Acidithiobacillus
ferrooxidans) 		PF07992
(Pyr_redox_2) 		5 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.78A 5e5jB-3t2yA:
undetectable		 5e5jB-3t2yA:
13.38
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 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  49
ILE A  50
 SO4  A 101 (-3.8A)
SO4  A 101 (-4.2A)
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)
 0.61A 5e5jB-3t3cA:
18.6		 5e5jB-3t3cA:
72.73
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 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  49
PRO A  81
 SO4  A 101 (-3.8A)
SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
None
 0.95A 5e5jB-3t3cA:
18.6		 5e5jB-3t3cA:
72.73
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
 0.57A 5e5jB-3t3cA:
18.6		 5e5jB-3t3cA:
72.73
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.
3tl2 MALATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A  40
ASP A  36
GLY A  12
ILE A  85
ILE A  37
 None
EDO  A 315 (-3.3A)
EDO  A 315 ( 4.1A)
None
None
 0.82A 5e5jB-3tl2A:
undetectable		 5e5jB-3tl2A:
14.84
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) 		5 ALA A  28
ILE A  32
GLY A  48
PRO A  81
ILE A  84
 017  A 201 (-3.4A)
None
None
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.83A 5e5jB-3ttpA:
19.8		 5e5jB-3ttpA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ALA A  28
ASP A  29
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 1.45A 5e5jB-3ttpA:
19.8		 5e5jB-3ttpA:
78.79
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) 		11 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
None
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.43A 5e5jB-3ttpA:
19.8		 5e5jB-3ttpA:
78.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u02 PUTATIVE
TRANSCRIPTION-ASSOCI
ATED PROTEIN TFIIS

(Pyrococcus
furiosus) 		PF08489
(DUF1743) 		6 ARG A  81
ASP A   8
GLY A  22
ILE A  24
ILE A  77
ILE A  95
 None
None
TPO  A  18 ( 3.7A)
None
None
None
 1.32A 5e5jB-3u02A:
undetectable		 5e5jB-3u02A:
17.60
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.
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		6 GLY A 266
ALA A 243
ILE A 166
GLY A 251
PRO A 168
ILE A 175
 None
 1.34A 5e5jB-3u4jA:
undetectable		 5e5jB-3u4jA:
10.08
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
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  32
GLY A  49
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
None
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.55A 5e5jB-3u7sA:
20.1		 5e5jB-3u7sA:
76.77
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
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  32
GLY A  49
ILE A  50
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
None
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.51A 5e5jB-3u7sA:
20.1		 5e5jB-3u7sA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  32
PRO A  81
 None
 0.52A 5e5jB-3uhlA:
16.1		 5e5jB-3uhlA:
81.82
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.
3uw0 PECTINESTERASE

(Yersinia
enterocolitica) 		PF01095
(Pectinesterase) 		6 LEU A 179
GLY A 203
ILE A 229
ILE A 243
ILE A 194
ILE A 201
 None
 1.41A 5e5jB-3uw0A:
undetectable		 5e5jB-3uw0A:
13.97
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.
3v4y SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PP1-ALPHA CATALYTIC
SUBUNIT

(Homo sapiens) 		PF00149
(Metallophos)
PF16891
(STPPase_N) 		5 LEU A   9
GLY A  37
ILE A 104
ILE A  13
ILE A  12
 None
 0.83A 5e5jB-3v4yA:
undetectable		 5e5jB-3v4yA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vzh PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
pyogenes) 		PF09704
(Cas_Cas5d) 		5 LEU A  40
GLY A 138
GLY A  13
ILE A  97
ILE A  43
 None
 0.84A 5e5jB-3vzhA:
undetectable		 5e5jB-3vzhA:
16.82
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.
3wry TM-1 PROTEIN

(Solanum
lycopersicum) 		PF06792
(UPF0261) 		5 LEU A 122
GLY A 188
ALA A 187
ILE A 173
ILE A 147
 None
 0.81A 5e5jB-3wryA:
undetectable		 5e5jB-3wryA:
12.71
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.
4a5a NUCLEOSIDE-TRIPHOSPH
ATASE 1

(Toxoplasma
gondii) 		PF01150
(GDA1_CD39) 		5 GLY A 274
ALA A 273
ASP A 271
ILE A 242
ILE A 587
 None
 0.86A 5e5jB-4a5aA:
undetectable		 5e5jB-4a5aA:
11.30
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.
4amt RENIN

(Homo sapiens) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		5 LEU A 267
ASP A 269
GLY A 271
ALA A 272
ILE A 348
 None
None
None
SO4  A1387 (-3.4A)
None
 0.68A 5e5jB-4amtA:
8.1		 5e5jB-4amtA:
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.
1aow ANNEXIN IV

(Bos taurus) 		PF00191
(Annexin) 		3 ASP A 138
VAL A  94
LEU A 108
 None
 0.68A 5e5jB-1aowA:
undetectable		 5e5jB-1aowA:
15.83
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.
1bf6 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN

(Escherichia
coli) 		PF02126
(PTE) 		3 ASP A 188
VAL A 238
LEU A 229
 None
 0.49A 5e5jB-1bf6A:
undetectable		 5e5jB-1bf6A:
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.
1bkh MUCONATE LACTONIZING
ENZYME

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ASP A 178
VAL A 197
LEU A 215
 None
 0.68A 5e5jB-1bkhA:
0.0		 5e5jB-1bkhA:
15.36
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.
1bsz PROTEIN (PEPTIDE
DEFORMYLASE)

(Escherichia
coli) 		PF01327
(Pep_deformylase) 		3 ASP A  33
VAL A  51
LEU A  46
 None
 0.64A 5e5jB-1bszA:
0.0		 5e5jB-1bszA:
18.01
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.
1eu1 DIMETHYL SULFOXIDE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		3 ASP A 261
VAL A 312
LEU A 254
 None
 0.68A 5e5jB-1eu1A:
1.6		 5e5jB-1eu1A:
9.68
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.
1f26 NITRIC OXIDE
REDUCTASE

(Fusarium
oxysporum) 		PF00067
(p450) 		3 ASP A 321
VAL A  51
LEU A 343
 None
 0.60A 5e5jB-1f26A:
0.0		 5e5jB-1f26A:
12.95
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.
1hcu ALPHA-1,2-MANNOSIDAS
E

(Trichoderma
reesei) 		PF01532
(Glyco_hydro_47) 		3 ASP A  63
VAL A  74
LEU A 123
 None
 0.66A 5e5jB-1hcuA:
0.0		 5e5jB-1hcuA:
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.
1hww ALPHA-MANNOSIDASE II

(Drosophila
melanogaster) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		3 ASP A 472
VAL A 166
LEU A 467
 SWA  A1103 (-2.9A)
None
None
 0.64A 5e5jB-1hwwA:
0.0		 5e5jB-1hwwA:
7.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iaw TYPE II RESTRICTION
ENZYME NAEI

(Lechevalieria
aerocolonigenes) 		PF09126
(NaeI) 		3 ASP A  26
VAL A  35
LEU A  73
 None
 0.66A 5e5jB-1iawA:
0.0		 5e5jB-1iawA:
14.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j1v CHROMOSOMAL
REPLICATION
INITIATOR PROTEIN
DNAA

(Escherichia
coli) 		PF08299
(Bac_DnaA_C) 		3 ASP A 457
VAL A 383
LEU A 413
 None
 0.50A 5e5jB-1j1vA:
undetectable		 5e5jB-1j1vA:
21.90
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.
1jqo PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Zea mays) 		PF00311
(PEPcase) 		3 ASP A 805
VAL A 811
LEU A 716
 None
 0.62A 5e5jB-1jqoA:
0.0		 5e5jB-1jqoA:
7.52
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.
1lry PEPTIDE DEFORMYLASE

(Pseudomonas
aeruginosa) 		PF01327
(Pep_deformylase) 		3 ASP A  33
VAL A  51
LEU A  46
 None
 0.61A 5e5jB-1lryA:
undetectable		 5e5jB-1lryA:
19.88
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.
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi) 		PF13561
(adh_short_C2) 		3 ASP A 247
VAL A 267
LEU A 265
 None
 0.65A 5e5jB-1mxfA:
undetectable		 5e5jB-1mxfA:
16.41
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.
1n2o PANTOTHENATE
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF02569
(Pantoate_ligase) 		3 ASP A 174
VAL A 118
LEU A 144
 None
 0.64A 5e5jB-1n2oA:
undetectable		 5e5jB-1n2oA:
16.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nlx POLLEN ALLERGEN PHL
P 6

(Phleum pratense) 		PF01620
(Pollen_allerg_2) 		3 ASP A 452
VAL A 415
LEU A 464
 None
 0.67A 5e5jB-1nlxA:
undetectable		 5e5jB-1nlxA:
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.
1plg IGG2A=KAPPA=

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 ASP H 211
VAL H 146
LEU H 156
 None
 0.60A 5e5jB-1plgH:
undetectable		 5e5jB-1plgH:
17.59
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.
1q5d P450 EPOXIDASE

(Sorangium
cellulosum) 		PF00067
(p450) 		3 ASP A 336
VAL A  58
LEU A 356
 None
 0.61A 5e5jB-1q5dA:
undetectable		 5e5jB-1q5dA:
11.78
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.
1qv9 F420-DEPENDENT
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE

(Methanopyrus
kandleri) 		PF01993
(MTD) 		3 ASP A 122
VAL A 147
LEU A 207
 None
 0.56A 5e5jB-1qv9A:
undetectable		 5e5jB-1qv9A:
15.96
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.
1qzu HYPOTHETICAL PROTEIN
MDS018

(Homo sapiens) 		PF02441
(Flavoprotein) 		3 ASP A  74
VAL A  51
LEU A  91
 None
 0.62A 5e5jB-1qzuA:
undetectable		 5e5jB-1qzuA:
17.82
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.
1r82 GLYCOPROTEIN-FUCOSYL
GALACTOSIDE
ALPHA-GALACTOSYLTRAN
SFERASE

(Homo sapiens) 		PF03414
(Glyco_transf_6) 		3 ASP A 262
VAL A 318
LEU A 232
 None
 0.59A 5e5jB-1r82A:
undetectable		 5e5jB-1r82A:
15.56
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.
1ri6 PUTATIVE ISOMERASE
YBHE

(Escherichia
coli) 		PF10282
(Lactonase) 		3 ASP A 285
VAL A 303
LEU A  28
 None
 0.62A 5e5jB-1ri6A:
undetectable		 5e5jB-1ri6A:
13.04
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.
1tuf DIAMINOPIMELATE
DECARBOXYLASE

(Methanocaldococcus
jannaschii) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		3 ASP A  31
VAL A  48
LEU A  38
 None
 0.51A 5e5jB-1tufA:
undetectable		 5e5jB-1tufA:
14.35
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.
1u6g TIP120 PROTEIN

(Homo sapiens) 		PF08623
(TIP120) 		3 ASP C 774
VAL C 763
LEU C 806
 None
 0.58A 5e5jB-1u6gC:
undetectable		 5e5jB-1u6gC:
6.58
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.
1v5b 3-ISOPROPYLMALATE
DEHYDROGENASE

(Bacillus
coagulans) 		PF00180
(Iso_dh) 		3 ASP A 222
VAL A 188
LEU A 248
 None
 0.62A 5e5jB-1v5bA:
undetectable		 5e5jB-1v5bA:
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.
1vch PHOSPHORIBOSYLTRANSF
ERASE-RELATED
PROTEIN

(Thermus
thermophilus) 		PF00156
(Pribosyltran) 		3 ASP A 128
VAL A 126
LEU A  45
 None
 0.58A 5e5jB-1vchA:
undetectable		 5e5jB-1vchA:
19.54
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.
1wd5 HYPOTHETICAL PROTEIN
TT1426

(Thermus
thermophilus) 		PF00156
(Pribosyltran) 		3 ASP A 128
VAL A 126
LEU A  13
 None
 0.61A 5e5jB-1wd5A:
undetectable		 5e5jB-1wd5A:
17.77
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.
1wqa PHOSPHO-SUGAR MUTASE

(Pyrococcus
horikoshii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		3 ASP A 243
VAL A 250
LEU A 224
 ASP  A 243 (-0.6A)
VAL  A 250 ( 0.6A)
LEU  A 224 ( 0.6A)
 0.66A 5e5jB-1wqaA:
undetectable		 5e5jB-1wqaA:
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.
1ws0 PEPTIDE DEFORMYLASE
1

(Bacillus cereus) 		PF01327
(Pep_deformylase) 		3 ASP A  34
VAL A  52
LEU A  47
 None
 0.65A 5e5jB-1ws0A:
1.2		 5e5jB-1ws0A:
21.15
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.
1wvl DNA-BINDING PROTEINS
7A/7B/7D, GCN4

(Sulfolobus
acidocaldarius) 		PF02294
(7kD_DNA_binding) 		3 ASP A  49
VAL A  30
LEU A  54
 None
 0.62A 5e5jB-1wvlA:
undetectable		 5e5jB-1wvlA:
20.95
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.
1x9j PROBABLE BUTYRATE
KINASE 2

(Thermotoga
maritima) 		PF00871
(Acetate_kinase) 		3 ASP A 297
VAL A 165
LEU A 327
 None
 0.32A 5e5jB-1x9jA:
undetectable		 5e5jB-1x9jA:
12.80
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.
2a4m TRYPTOPHANYL-TRNA
SYNTHETASE II

(Deinococcus
radiodurans) 		PF00579
(tRNA-synt_1b) 		3 ASP A 270
VAL A 298
LEU A 264
 None
 0.54A 5e5jB-2a4mA:
undetectable		 5e5jB-2a4mA:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ado MEDIATOR OF DNA
DAMAGE CHECKPOINT
PROTEIN 1

(Homo sapiens) 		PF16770
(RTT107_BRCT_5) 		3 ASP A1902
VAL A1909
LEU A1916
 None
 0.64A 5e5jB-2adoA:
undetectable		 5e5jB-2adoA:
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.
2b0o UPLC1

(Homo sapiens) 		PF01412
(ArfGap)
PF12796
(Ank_2) 		3 ASP E 572
VAL E 589
LEU E 551
 None
 0.66A 5e5jB-2b0oE:
undetectable		 5e5jB-2b0oE:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b67 COG0778:
NITROREDUCTASE

(Streptococcus
pneumoniae) 		PF00881
(Nitroreductase) 		3 ASP A 157
VAL A 164
LEU A  57
 None
 0.53A 5e5jB-2b67A:
undetectable		 5e5jB-2b67A:
20.81
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.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		3 ASP A  22
VAL A 563
LEU A  15
 None
 0.60A 5e5jB-2bklA:
undetectable		 5e5jB-2bklA:
10.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c1c CARBOXYPEPTIDASE B

(Helicoverpa zea) 		PF00246
(Peptidase_M14) 		3 ASP A 306
VAL A 222
LEU A 265
 None
 0.56A 5e5jB-2c1cA:
undetectable		 5e5jB-2c1cA:
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.
2cfz SDS HYDROLASE SDSA1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		3 ASP A 138
VAL A 165
LEU A 181
 None
 0.59A 5e5jB-2cfzA:
undetectable		 5e5jB-2cfzA:
9.52
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.
2dkk CYTOCHROME P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		3 ASP A 327
VAL A  63
LEU A 347
 None
 0.54A 5e5jB-2dkkA:
undetectable		 5e5jB-2dkkA:
13.09
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.
2e9f ARGININOSUCCINATE
LYASE

(Thermus
thermophilus) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		3 ASP A 236
VAL A 313
LEU A 309
 None
 0.67A 5e5jB-2e9fA:
undetectable		 5e5jB-2e9fA:
12.14
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.
2f6n BROMODOMAIN PHD
FINGER TRANSCRIPTION
FACTOR

(Homo sapiens) 		PF00439
(Bromodomain)
PF00628
(PHD) 		3 ASP A 136
VAL A 122
LEU A  81
 None
 0.60A 5e5jB-2f6nA:
undetectable		 5e5jB-2f6nA:
20.47
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.
2gqw FERREDOXIN REDUCTASE

(Pseudomonas sp.
KKS102) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		3 ASP A 134
VAL A 232
LEU A 160
 None
 0.66A 5e5jB-2gqwA:
undetectable		 5e5jB-2gqwA:
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.
2hjs USG-1 PROTEIN
HOMOLOG

(Pseudomonas
aeruginosa) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 ASP A 257
VAL A 264
LEU A 143
 DIO  A 402 ( 4.0A)
None
None
 0.67A 5e5jB-2hjsA:
undetectable		 5e5jB-2hjsA:
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.
2hor ALLIIN LYASE 1

(Allium sativum) 		PF04863
(EGF_alliinase)
PF04864
(Alliinase_C) 		3 ASP A 243
VAL A 270
LEU A 139
 None
 0.63A 5e5jB-2horA:
undetectable		 5e5jB-2horA:
14.16
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.
2j4d CRYPTOCHROME DASH

(Arabidopsis
thaliana) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		3 ASP A 404
VAL A 491
LEU A 362
 None
 0.51A 5e5jB-2j4dA:
undetectable		 5e5jB-2j4dA:
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.
2jis CYSTEINE SULFINIC
ACID DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		3 ASP A 478
VAL A 469
LEU A 391
 None
 0.53A 5e5jB-2jisA:
undetectable		 5e5jB-2jisA:
10.06
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.
2jj4 ACETYLGLUTAMATE
KINASE

(Synechococcus
elongatus) 		PF00696
(AA_kinase) 		3 ASP A  97
VAL A 101
LEU A  78
 None
 0.66A 5e5jB-2jj4A:
undetectable		 5e5jB-2jj4A:
16.88
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.
2jpo PHEROMONE-BINDING
PROTEIN

(Antheraea
polyphemus) 		PF01395
(PBP_GOBP) 		3 ASP A 132
VAL A  62
LEU A 139
 None
 0.65A 5e5jB-2jpoA:
undetectable		 5e5jB-2jpoA:
20.57
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.
2leo SERINE PROTEASE
INHIBITOR KAZAL-TYPE
7

(Homo sapiens) 		PF00050
(Kazal_1) 		3 ASP A  82
VAL A  30
LEU A  66
 None
 0.59A 5e5jB-2leoA:
undetectable		 5e5jB-2leoA:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2llh NUCLEOPHOSMIN

(Homo sapiens) 		PF16276
(NPM1-C) 		3 ASP A  22
VAL A  48
LEU A  63
 None
 0.65A 5e5jB-2llhA:
undetectable		 5e5jB-2llhA:
21.36
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.
2nps SYNTAXIN-6
VESICLE-ASSOCIATED
MEMBRANE PROTEIN 4

(Homo sapiens;
Mus musculus) 		PF00957
(Synaptobrevin)
no annotation 		3 ASP A  52
VAL A  57
LEU D 173
 None
 0.67A 5e5jB-2npsA:
undetectable		 5e5jB-2npsA:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nqa CALPAIN 8

(Homo sapiens) 		PF00648
(Peptidase_C2) 		3 ASP A 216
VAL A 332
LEU A 224
 None
 0.65A 5e5jB-2nqaA:
undetectable		 5e5jB-2nqaA:
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.
2nqn MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN
MOEA

(Escherichia
coli) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		3 ASP A 245
VAL A  21
LEU A 315
 None
 0.65A 5e5jB-2nqnA:
undetectable		 5e5jB-2nqnA:
13.81
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.
2nzu CATABOLITE CONTROL
PROTEIN

(Bacillus
megaterium) 		PF13377
(Peripla_BP_3) 		3 ASP G 315
VAL G 319
LEU G 304
 None
 0.42A 5e5jB-2nzuG:
undetectable		 5e5jB-2nzuG:
18.18
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.
2ovj RAC
GTPASE-ACTIVATING
PROTEIN 1

(Homo sapiens) 		PF00620
(RhoGAP) 		3 ASP A 471
VAL A 355
LEU A 351
 None
 0.66A 5e5jB-2ovjA:
undetectable		 5e5jB-2ovjA:
19.67
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.
2p4z METAL-DEPENDENT
HYDROLASES OF THE
BETA-LACTAMASE
SUPERFAMILY II

(Caldanaerobacter
subterraneus) 		PF00753
(Lactamase_B) 		3 ASP A  48
VAL A 184
LEU A  38
 None
 0.65A 5e5jB-2p4zA:
undetectable		 5e5jB-2p4zA:
16.01
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.
2q0f RNA URIDYLYL
TRANSFERASE

(Trypanosoma
brucei) 		PF03828
(PAP_assoc) 		3 ASP A  44
VAL A  71
LEU A 101
 None
 0.63A 5e5jB-2q0fA:
undetectable		 5e5jB-2q0fA:
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.
2qq1 MOLYBDENUM COFACTOR
BIOSYNTHESIS MOG

(Aquifex
aeolicus) 		PF00994
(MoCF_biosynth) 		3 ASP A 146
VAL A 108
LEU A 104
 None
 0.62A 5e5jB-2qq1A:
undetectable		 5e5jB-2qq1A:
22.41
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.
2rfb CYTOCHROME P450

(Picrophilus
torridus) 		PF00067
(p450) 		3 ASP A 276
VAL A  30
LEU A 295
 None
 0.64A 5e5jB-2rfbA:
undetectable		 5e5jB-2rfbA:
16.40
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) 		3 ASP A  29
VAL A  47
LEU A  76
 AB1  A 501 ( 3.3A)
AB1  A 501 ( 4.9A)
None
 0.25A 5e5jB-2rkfA:
21.0		 5e5jB-2rkfA:
84.85
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.
2vc2 INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF13517
(VCBS) 		3 ASP A 367
VAL A 391
LEU A   3
 CA  A2006 (-2.9A)
None
None
 0.68A 5e5jB-2vc2A:
undetectable		 5e5jB-2vc2A:
10.86
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.
2vlc TYPE 2
RIBOSOME-INACTIVATIN
G PROTEIN CINNAMOMIN
III

(Cinnamomum
camphora) 		PF00161
(RIP)
PF00652
(Ricin_B_lectin) 		3 ASP A 238
VAL A 221
LEU A 204
 None
 0.65A 5e5jB-2vlcA:
undetectable		 5e5jB-2vlcA:
11.52
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.
2wgy CYTOCHROME P450 130

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		3 ASP A 324
VAL A  55
LEU A 345
 None
 0.68A 5e5jB-2wgyA:
undetectable		 5e5jB-2wgyA:
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.
2wm4 PUTATIVE CYTOCHROME
P450 124

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		3 ASP A 349
VAL A  78
LEU A 369
 None
 0.65A 5e5jB-2wm4A:
undetectable		 5e5jB-2wm4A:
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.
2xkr PUTATIVE CYTOCHROME
P450 142

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		3 ASP A 311
VAL A  49
LEU A 331
 None
 0.61A 5e5jB-2xkrA:
undetectable		 5e5jB-2xkrA:
13.03
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.
2xt6 2-OXOGLUTARATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00198
(2-oxoacid_dh)
PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		3 ASP A 414
VAL A 405
LEU A 436
 None
 0.55A 5e5jB-2xt6A:
undetectable		 5e5jB-2xt6A:
7.16
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.
2y9x POLYPHENOL OXIDASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		3 ASP A 336
VAL A 315
LEU A  89
 HO  A 402 (-3.6A)
None
None
 0.64A 5e5jB-2y9xA:
undetectable		 5e5jB-2y9xA:
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.
2yfn ALPHA-GALACTOSIDASE-
SUCROSE KINASE AGASK

([Ruminococcus]
gnavus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		3 ASP A 651
VAL A 646
LEU A 676
 None
 0.61A 5e5jB-2yfnA:
undetectable		 5e5jB-2yfnA:
8.55
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.
2yxx DIAMINOPIMELATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		3 ASP A 104
VAL A  85
LEU A  72
 None
 0.67A 5e5jB-2yxxA:
undetectable		 5e5jB-2yxxA:
15.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z1q ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		3 ASP A 390
VAL A 366
LEU A 362
 None
 0.65A 5e5jB-2z1qA:
undetectable		 5e5jB-2z1qA:
11.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z3t CYTOCHROME P450

(Streptomyces
sp. TP-A0274) 		PF00067
(p450) 		3 ASP A 215
VAL A 230
LEU A 226
 None
 0.68A 5e5jB-2z3tA:
undetectable		 5e5jB-2z3tA:
12.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z80 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		3 ASP A 169
VAL A 156
LEU A 154
 None
 0.58A 5e5jB-2z80A:
undetectable		 5e5jB-2z80A:
14.89
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.
2zpb NITRILE HYDRATASE
SUBUNIT ALPHA
NITRILE HYDRATASE
SUBUNIT BETA

(Rhodococcus
erythropolis) 		PF02211
(NHase_beta)
PF02979
(NHase_alpha) 		3 ASP A  30
VAL A  40
LEU B  35
 None
 0.63A 5e5jB-2zpbA:
undetectable		 5e5jB-2zpbA:
14.15
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.
2zsi DELLA PROTEIN GAI
PROBABLE GIBBERELLIN
RECEPTOR GID1L1

(Arabidopsis
thaliana) 		PF07859
(Abhydrolase_3)
PF12041
(DELLA) 		3 ASP B  28
VAL A  22
LEU B  80
 None
 0.64A 5e5jB-2zsiB:
undetectable		 5e5jB-2zsiB:
22.94
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.
3aw5 MULTICOPPER OXIDASE

(Pyrobaculum
aerophilum) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 ASP A 426
VAL A 250
LEU A 255
 None
 0.60A 5e5jB-3aw5A:
undetectable		 5e5jB-3aw5A:
12.10
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.
3azc CYTOCHROME B6-F
COMPLEX IRON-SULFUR
SUBUNIT

(Thermosynechococcus
elongatus) 		PF00355
(Rieske) 		3 ASP A  96
VAL A  93
LEU A  70
 None
 0.53A 5e5jB-3azcA:
undetectable		 5e5jB-3azcA:
22.39
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.
3bcv PUTATIVE
GLYCOSYLTRANSFERASE
PROTEIN

(Bacteroides
fragilis) 		PF00535
(Glycos_transf_2) 		3 ASP A  95
VAL A  11
LEU A  27
 None
 0.66A 5e5jB-3bcvA:
undetectable		 5e5jB-3bcvA:
16.74
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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		3 ASP A 397
VAL A 409
LEU A 429
 None
 0.60A 5e5jB-3bgaA:
undetectable		 5e5jB-3bgaA:
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.
3blw ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF00180
(Iso_dh) 		3 ASP A 217
VAL A 181
LEU A 243
 None
 0.62A 5e5jB-3blwA:
undetectable		 5e5jB-3blwA:
19.85
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.
3c37 PEPTIDASE, M48
FAMILY

(Geobacter
sulfurreducens) 		PF01435
(Peptidase_M48) 		3 ASP A  63
VAL A  60
LEU A  54
 None
 0.68A 5e5jB-3c37A:
undetectable		 5e5jB-3c37A:
17.48
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.
3f6r FLAVODOXIN

(Desulfovibrio
desulfuricans) 		PF00258
(Flavodoxin_1) 		3 ASP A  40
VAL A   7
LEU A  46
 None
 0.68A 5e5jB-3f6rA:
undetectable		 5e5jB-3f6rA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fiw PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		3 ASP A  95
VAL A  25
LEU A  52
 None
 0.68A 5e5jB-3fiwA:
undetectable		 5e5jB-3fiwA:
16.99
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.
3fvr ACETYL XYLAN
ESTERASE

(Bacillus
pumilus) 		PF05448
(AXE1) 		3 ASP A  77
VAL A  51
LEU A 107
 None
 0.65A 5e5jB-3fvrA:
undetectable		 5e5jB-3fvrA:
16.40
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.
3gbr ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Sulfolobus
solfataricus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		3 ASP A 196
VAL A 192
LEU A 201
 None
 0.62A 5e5jB-3gbrA:
undetectable		 5e5jB-3gbrA:
13.91
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.
3h07 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE

(Yersinia pestis) 		PF00926
(DHBP_synthase) 		3 ASP A 204
VAL A  31
LEU A 160
 None
 0.67A 5e5jB-3h07A:
undetectable		 5e5jB-3h07A:
18.47
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.
3h74 PYRIDOXAL KINASE

(Lactobacillus
plantarum) 		PF08543
(Phos_pyr_kin) 		3 ASP A 213
VAL A   6
LEU A  25
 None
 0.60A 5e5jB-3h74A:
undetectable		 5e5jB-3h74A:
18.25
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.
3hn0 NITRATE TRANSPORT
PROTEIN

(Parabacteroides
distasonis) 		no annotation 3 ASP A 128
VAL A 167
LEU A 105
 None
 0.68A 5e5jB-3hn0A:
undetectable		 5e5jB-3hn0A:
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.
3idf USP-LIKE PROTEIN

(Wolinella
succinogenes) 		PF00582
(Usp) 		3 ASP A 125
VAL A  92
LEU A 115
 None
 0.59A 5e5jB-3idfA:
undetectable		 5e5jB-3idfA:
23.66
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.
3k31 ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE

(Anaplasma
phagocytophilum) 		PF13561
(adh_short_C2) 		3 ASP A 226
VAL A 194
LEU A  23
 None
 0.43A 5e5jB-3k31A:
undetectable		 5e5jB-3k31A:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k3p D-ALANINE--D-ALANINE
LIGASE

(Streptococcus
mutans) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		3 ASP A 127
VAL A 134
LEU A 280
 None
 0.58A 5e5jB-3k3pA:
undetectable		 5e5jB-3k3pA:
14.87
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.
3k6r PUTATIVE TRANSFERASE
PH0793

(Pyrococcus
horikoshii) 		PF02475
(Met_10) 		3 ASP A  87
VAL A 103
LEU A  66
 None
 0.68A 5e5jB-3k6rA:
undetectable		 5e5jB-3k6rA:
17.88
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.
3kcx HYPOXIA-INDUCIBLE
FACTOR 1-ALPHA
INHIBITOR

(Homo sapiens) 		PF13621
(Cupin_8) 		3 ASP A 161
VAL A 154
LEU A 150
 None
 0.62A 5e5jB-3kcxA:
undetectable		 5e5jB-3kcxA:
15.27
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.
3kw8 PUTATIVE COPPER
OXIDASE

(Streptomyces
coelicolor) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 ASP A  85
VAL A 179
LEU A 106
 None
 0.65A 5e5jB-3kw8A:
undetectable		 5e5jB-3kw8A:
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.
3l3f PROTEIN DOA1

(Saccharomyces
cerevisiae) 		PF08324
(PUL)
PF09070
(PFU) 		3 ASP X 415
VAL X 431
LEU X 402
 None
 0.57A 5e5jB-3l3fX:
undetectable		 5e5jB-3l3fX:
15.69
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.
3ldf PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.776

(Streptococcus
mutans) 		PF10672
(Methyltrans_SAM) 		3 ASP A  25
VAL A  58
LEU A  29
 None
 0.61A 5e5jB-3ldfA:
undetectable		 5e5jB-3ldfA:
13.95
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.
3lqu 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE

(Salmonella
enterica) 		PF00926
(DHBP_synthase) 		3 ASP A 204
VAL A  31
LEU A 160
 None
 0.59A 5e5jB-3lquA:
undetectable		 5e5jB-3lquA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mkh NITROALKANE OXIDASE

(Podospora
anserina) 		PF00441
(Acyl-CoA_dh_1)
PF02771
(Acyl-CoA_dh_N) 		3 ASP A 271
VAL A 275
LEU A  75
 None
 0.66A 5e5jB-3mkhA:
undetectable		 5e5jB-3mkhA:
13.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mwt NUCLEOPROTEIN

(Lassa
mammarenavirus) 		PF00843
(Arena_nucleocap)
PF17290
(Arena_ncap_C) 		3 ASP A  63
VAL A 166
LEU A 172
 None
 0.68A 5e5jB-3mwtA:
undetectable		 5e5jB-3mwtA:
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.
3nc3 CYTOCHROME P450 CYPX

(Bacillus
subtilis) 		PF00067
(p450) 		3 ASP A 314
VAL A  49
LEU A 344
 None
 0.55A 5e5jB-3nc3A:
undetectable		 5e5jB-3nc3A:
13.85
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.
3nkh INTEGRASE

(Staphylococcus
aureus) 		PF00589
(Phage_integrase) 		3 ASP A  57
VAL A 129
LEU A 106
 None
 0.36A 5e5jB-3nkhA:
undetectable		 5e5jB-3nkhA:
18.41
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.
3nlc UNCHARACTERIZED
PROTEIN VP0956

(Vibrio
parahaemolyticus) 		no annotation 3 ASP A 379
VAL A 288
LEU A 394
 None
 0.49A 5e5jB-3nlcA:
undetectable		 5e5jB-3nlcA:
11.48