SIMILAR PATTERNS OF AMINO ACIDS FOR 1SDU_B_MK1B902

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.
1b8u PROTEIN (MALATE
DEHYDROGENASE)

(Aquaspirillum
arcticum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 167
ALA A 201
GLY A 205
VAL A 178
ILE A 181
 None
 1.04A 1sduA-1b8uA:
0.0		 1sduA-1b8uA:
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.
1bry BRYODIN I

(Bryonia dioica) 		PF00161
(RIP) 		5 LEU Y 215
ALA Y 230
GLY Y 207
VAL Y 213
ILE Y 225
 None
 1.04A 1sduA-1bryY:
undetectable		 1sduA-1bryY:
15.57
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.
1dj3 ADENYLOSUCCINATE
SYNTHETASE

(Triticum
aestivum) 		PF00709
(Adenylsucc_synt) 		5 LEU A  83
ALA A  48
ILE A 271
GLY A 270
ILE A  46
 None
 0.83A 1sduA-1dj3A:
0.0		 1sduA-1dj3A:
12.36
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.
1dqz PROTEIN (ANTIGEN
85-C)

(Mycobacterium
tuberculosis) 		PF00756
(Esterase) 		5 ALA A 144
GLY A 127
GLY A 128
ILE A 132
ILE A 205
 None
 0.98A 1sduA-1dqzA:
undetectable		 1sduA-1dqzA:
16.67
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 ALA A  28
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.2A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.81A 1sduA-1hvcA:
14.4		 1sduA-1hvcA:
46.31
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) 		7 ALA A  28
ILE A  47
GLY A  48
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 A79  A 800 (-3.2A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.1A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.63A 1sduA-1hvcA:
14.4		 1sduA-1hvcA:
46.31
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
ALA A  28
ILE A  47
GLY A  48
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-3.1A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.6A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.55A 1sduA-1hvcA:
14.4		 1sduA-1hvcA:
46.31
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
ALA A  28
ILE A  47
GLY A  48
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.6A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.41A 1sduA-1hvcA:
14.4		 1sduA-1hvcA:
46.31
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) 		8 LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  48
GLY A  49
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.1A)
A79  A 800 (-3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.44A 1sduA-1hvcA:
14.4		 1sduA-1hvcA:
46.31
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) 		8 LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.48A 1sduA-1hvcA:
14.4		 1sduA-1hvcA:
46.31
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.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		5 ALA H  38
ILE H 101
GLY H 102
GLY H 103
ILE H 104
 None
 0.86A 1sduA-1j2qH:
0.0		 1sduA-1j2qH:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lzk HEROIN ESTERASE

(Rhodococcus sp.) 		PF07859
(Abhydrolase_3) 		5 LEU A  54
ALA A 136
ILE A  85
ILE A 154
ILE A  67
 None
 0.99A 1sduA-1lzkA:
0.0		 1sduA-1lzkA:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ALA A 334
ILE A 313
GLY A 314
GLY A 315
ILE A 311
 None
NAD  A 987 (-4.5A)
NAD  A 987 (-4.1A)
None
None
 0.84A 1sduA-1mewA:
undetectable		 1sduA-1mewA:
11.99
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.
1p31 UDP-N-ACETYLMURAMATE
--ALANINE LIGASE

(Haemophilus
influenzae) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A 111
ILE A  26
GLY A  27
GLY A  28
ILE A  34
 None
None
EPU  A 598 (-3.7A)
EPU  A 598 (-3.2A)
None
 1.05A 1sduA-1p31A:
undetectable		 1sduA-1p31A:
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.
1pv5 HYPOTHETICAL PROTEIN
YWQG

(Bacillus
subtilis) 		PF09234
(DUF1963) 		5 GLY A 197
GLY A 196
ILE A 195
VAL A 254
ILE A 241
 None
 0.80A 1sduA-1pv5A:
undetectable		 1sduA-1pv5A:
17.87
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.
1shs SMALL HEAT SHOCK
PROTEIN

(Methanocaldococcus
jannaschii) 		PF00011
(HSP20) 		5 LEU A 133
ALA A 113
GLY A  34
VAL A  56
ILE A  54
 None
 0.96A 1sduA-1shsA:
undetectable		 1sduA-1shsA:
20.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		6 ARG A   8
ASP A  25
ALA A  28
GLY A  48
GLY A  49
ILE A  84
 None
 0.52A 1sduA-1sivA:
18.4		 1sduA-1sivA:
50.98
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 ARG A   8
ASP A  25
ALA A  28
GLY A  49
PRO A  81
ILE A  84
 None
 0.57A 1sduA-1sivA:
18.4		 1sduA-1sivA:
50.98
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  48
GLY A  49
 None
 0.46A 1sduA-1sivA:
18.4		 1sduA-1sivA:
50.98
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  49
PRO A  81
 None
 0.57A 1sduA-1sivA:
18.4		 1sduA-1sivA:
50.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tcs TRICHOSANTHIN

(Trichosanthes
kirilowii) 		PF00161
(RIP) 		5 LEU A 215
ALA A 230
GLY A 207
VAL A 213
ILE A 225
 None
 1.02A 1sduA-1tcsA:
undetectable		 1sduA-1tcsA:
16.87
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.
1un9 DIHYDROXYACETONE
KINASE

(Citrobacter
freundii) 		PF02733
(Dak1)
PF02734
(Dak2) 		6 LEU A  32
ALA A  90
GLY A  57
GLY A  56
VAL A  42
ILE A  40
 None
None
2HA  A1554 (-3.3A)
None
None
None
 1.40A 1sduA-1un9A:
undetectable		 1sduA-1un9A:
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.
1xhd PUTATIVE
ACETYLTRANSFERASE/AC
YLTRANSFERASE

(Bacillus cereus) 		PF00132
(Hexapep) 		5 ALA A 112
ILE A  96
GLY A  97
GLY A 115
ILE A 126
 None
 0.78A 1sduA-1xhdA:
undetectable		 1sduA-1xhdA:
21.02
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.
1y56 HYPOTHETICAL PROTEIN
PH1363

(Pyrococcus
horikoshii) 		PF07992
(Pyr_redox_2)
PF13510
(Fer2_4) 		5 ALA A 476
ILE A 316
GLY A 321
GLY A 320
ILE A 480
 None
 0.85A 1sduA-1y56A:
undetectable		 1sduA-1y56A:
12.06
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.
1yyc PUTATIVE LATE
EMBRYOGENESIS
ABUNDANT PROTEIN

(Arabidopsis
thaliana) 		PF03168
(LEA_2) 		5 LEU A 141
ILE A  80
GLY A 103
VAL A  49
ILE A 143
 None
 0.99A 1sduA-1yycA:
undetectable		 1sduA-1yycA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cb4 MOSQUITOCIDAL TOXIN

(Lysinibacillus
sphaericus) 		no annotation 5 LEU A  73
GLY A 203
GLY A 202
ILE A 139
ILE A 179
 None
 0.94A 1sduA-2cb4A:
undetectable		 1sduA-2cb4A:
14.39
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) 		9 LEU A  23
ASP A  25
ALA A  28
ILE A  53
GLY A  54
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.51A 1sduA-2fmbA:
15.0		 1sduA-2fmbA:
33.02
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
ASP A  25
ALA A  28
GLY A  48
GLY A  49
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.5A)
 0.55A 1sduA-2rkfA:
20.9		 1sduA-2rkfA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
GLY A  48
GLY A  49
ILE A  50
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 ( 4.2A)
 0.46A 1sduA-2rkfA:
20.9		 1sduA-2rkfA:
81.82
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 LEU A  23
ASP A  25
ALA A  28
PRO A  81
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.54A 1sduA-2rkfA:
20.9		 1sduA-2rkfA:
81.82
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) 		5 ARG A  10
LEU A  35
ASP A  37
ALA A  40
ILE A 108
 None
 0.83A 1sduA-2rspA:
12.9		 1sduA-2rspA:
32.80
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.
2vsa MOSQUITOCIDAL TOXIN

(Lysinibacillus
sphaericus) 		PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2) 		5 LEU A  73
GLY A 203
GLY A 202
ILE A 139
ILE A 179
 None
 0.89A 1sduA-2vsaA:
undetectable		 1sduA-2vsaA:
8.15
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.
2wtn EST1E

(Butyrivibrio
proteoclasticus) 		PF08386
(Abhydrolase_4)
PF12146
(Hydrolase_4) 		5 LEU A  57
GLY A 108
GLY A 107
VAL A  86
ILE A  28
 None
 1.06A 1sduA-2wtnA:
undetectable		 1sduA-2wtnA:
18.85
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 ILE A 211
GLY A 186
GLY A 676
ILE A 675
ILE A 417
 None
 0.88A 1sduA-2xvgA:
undetectable		 1sduA-2xvgA:
7.50
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.
2y23 MYOMESIN

(Homo sapiens) 		PF07679
(I-set) 		5 ASP A1401
GLY A1409
ILE A1410
VAL A1428
ILE A1389
 None
 0.92A 1sduA-2y23A:
undetectable		 1sduA-2y23A:
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.
2yev CYTOCHROME C OXIDASE
POLYPEPTIDE I+III

(Thermus
thermophilus) 		PF00115
(COX1)
PF00510
(COX3) 		5 ILE A 742
GLY A 743
GLY A 744
ILE A 697
VAL A 594
 5PL  A 900 (-4.3A)
None
None
None
None
 0.99A 1sduA-2yevA:
undetectable		 1sduA-2yevA:
7.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Prochlorococcus
marinus) 		PF00142
(Fer4_NifH)
PF00148
(Oxidored_nitro) 		5 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.97A 1sduA-2ynmA:
undetectable		 1sduA-2ynmA:
17.73
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.
2z0m 337AA LONG
HYPOTHETICAL
ATP-DEPENDENT RNA
HELICASE DEAD

(Sulfurisphaera
tokodaii) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 LEU A 236
ALA A 243
GLY A 222
VAL A 227
ILE A 271
 None
 0.98A 1sduA-2z0mA:
undetectable		 1sduA-2z0mA:
16.10
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.
2zxo SINGLE-STRANDED DNA
SPECIFIC EXONUCLEASE
RECJ

(Thermus
thermophilus) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 LEU A  55
GLY A  85
GLY A  88
ILE A  91
VAL A 173
 None
 1.05A 1sduA-2zxoA:
undetectable		 1sduA-2zxoA:
10.11
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.
2zxo SINGLE-STRANDED DNA
SPECIFIC EXONUCLEASE
RECJ

(Thermus
thermophilus) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 LEU A 634
GLY A 535
GLY A 536
ILE A 537
PRO A 543
 None
 1.00A 1sduA-2zxoA:
undetectable		 1sduA-2zxoA:
10.11
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.
3ayf NITRIC OXIDE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00115
(COX1) 		5 LEU A  88
ILE A  70
GLY A  71
GLY A  72
ILE A 210
 None
 1.04A 1sduA-3ayfA:
undetectable		 1sduA-3ayfA:
9.05
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.
3bjs MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Polaromonas sp.
JS666) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  86
ILE A 140
GLY A 314
GLY A 315
ILE A  72
 None
 1.04A 1sduA-3bjsA:
undetectable		 1sduA-3bjsA:
16.48
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.
3f8t PREDICTED ATPASE
INVOLVED IN
REPLICATION CONTROL,
CDC46/MCM FAMILY

(Methanopyrus
kandleri) 		PF00493
(MCM) 		5 LEU A 320
ALA A 296
GLY A 301
GLY A 302
ILE A 303
 None
 0.85A 1sduA-3f8tA:
undetectable		 1sduA-3f8tA:
10.62
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.
3iwt 178AA LONG
HYPOTHETICAL
MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
B

(Sulfurisphaera
tokodaii) 		PF00994
(MoCF_biosynth) 		5 LEU A 161
ILE A 111
GLY A 140
ILE A  85
ILE A 165
 None
 1.00A 1sduA-3iwtA:
undetectable		 1sduA-3iwtA:
23.46
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
ALA A  28
ILE A  47
GLY A  48
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 None
 0.53A 1sduA-3mwsA:
19.5		 1sduA-3mwsA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 None
 0.61A 1sduA-3mwsA:
19.5		 1sduA-3mwsA:
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.
3oy2 GLYCOSYLTRANSFERASE
B736L

(Paramecium
bursaria
Chlorella virus
NY2A) 		no annotation 5 ASP A 147
ILE A 334
GLY A 335
GLY A 336
ILE A 337
 None
 0.70A 1sduA-3oy2A:
undetectable		 1sduA-3oy2A:
13.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ozy PUTATIVE MANDELATE
RACEMASE

(Bordetella
bronchiseptica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 289
GLY A 282
GLY A 283
ILE A 284
PRO A 303
 None
 0.94A 1sduA-3ozyA:
undetectable		 1sduA-3ozyA:
16.77
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.
3rh9 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
(NAD(P)(+))

(Marinobacter
hydrocarbonoclasticus) 		PF00171
(Aldedh) 		5 LEU A 308
ILE A 327
GLY A 284
GLY A 285
VAL A 372
 None
 0.82A 1sduA-3rh9A:
undetectable		 1sduA-3rh9A:
11.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
ALA A  28
ILE A  47
GLY A  49
ILE A  50
 SO4  A 101 (-3.8A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.72A 1sduA-3t3cA:
18.7		 1sduA-3t3cA:
75.76
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
ALA A  28
ILE A  47
GLY A  49
ILE A  50
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.48A 1sduA-3t3cA:
18.7		 1sduA-3t3cA:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  48
GLY A  49
ILE A  50
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
None
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.7A)
 0.49A 1sduA-3ttpA:
19.5		 1sduA-3ttpA:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
None
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.62A 1sduA-3ttpA:
19.5		 1sduA-3ttpA:
75.76
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) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  49
ILE A  50
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 0.68A 1sduA-3u7sA:
20.0		 1sduA-3u7sA:
77.78
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) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  49
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.63A 1sduA-3u7sA:
20.0		 1sduA-3u7sA:
77.78
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) 		7 LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  48
GLY A  49
ILE A  50
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 202 (-3.6A)
017  A 202 ( 4.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 0.54A 1sduA-3u7sA:
20.0		 1sduA-3u7sA:
77.78
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) 		7 LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  48
GLY A  49
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 202 (-3.6A)
017  A 202 ( 4.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.51A 1sduA-3u7sA:
20.0		 1sduA-3u7sA:
77.78
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 LEU A1170
GLY A1187
GLY A1188
ILE A1189
ILE A1140
 None
 1.01A 1sduA-3va7A:
undetectable		 1sduA-3va7A:
6.54
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.
3vnp HYPOTHETICAL
CONSERVED PROTEIN

(Geobacillus
kaustophilus) 		PF00132
(Hexapep) 		5 ALA A 112
ILE A  96
GLY A  97
GLY A 115
ILE A 126
 None
 0.79A 1sduA-3vnpA:
undetectable		 1sduA-3vnpA:
22.35
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.
3x1l CRISPR SYSTEM CMR
SUBUNIT CMR2

(Pyrococcus
furiosus) 		PF12469
(DUF3692) 		5 ALA A 712
ILE A 749
GLY A 750
ILE A 596
VAL A 687
 None
 0.93A 1sduA-3x1lA:
undetectable		 1sduA-3x1lA:
9.82
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.
4a9a RIBOSOME-INTERACTING
GTPASE 1

(Saccharomyces
cerevisiae) 		PF01926
(MMR_HSR1)
PF02824
(TGS)
PF16897
(MMR_HSR1_Xtn) 		5 LEU A 145
ILE A 122
GLY A  72
ILE A 149
VAL A  68
 None
 0.78A 1sduA-4a9aA:
undetectable		 1sduA-4a9aA:
15.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE

(Thermotoga
maritima) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A 426
ALA A 434
ILE A 450
VAL A 395
ILE A 397
 None
 0.96A 1sduA-4bubA:
undetectable		 1sduA-4bubA:
12.03
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.
4bzi SEC23P

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 LEU A 140
ILE A 157
GLY A 158
ILE A 160
ILE A 144
 None
 0.90A 1sduA-4bziA:
undetectable		 1sduA-4bziA:
9.62
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.
4ccd GALACTOCEREBROSIDASE

(Mus musculus) 		PF02057
(Glyco_hydro_59)
PF17387
(Glyco_hydro_59M) 		5 LEU A 154
ILE A  86
GLY A  87
GLY A  88
PRO A 148
 None
 0.98A 1sduA-4ccdA:
undetectable		 1sduA-4ccdA:
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.
4ccw CARBOXYL ESTERASE NP

(Bacillus
subtilis) 		PF12697
(Abhydrolase_6) 		5 ARG A 256
GLY A 132
GLY A 133
ILE A 152
VAL A 224
 None
 0.90A 1sduA-4ccwA:
undetectable		 1sduA-4ccwA:
17.47
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.
4fxg MANNAN-BINDING
LECTIN SERINE
PROTEASE 2 B CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 ALA H 619
GLY H 650
GLY H 651
VAL H 588
ILE H 590
 None
 0.89A 1sduA-4fxgH:
undetectable		 1sduA-4fxgH:
14.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g1g MATRIX PROTEIN

(Avian
avulavirus 1) 		PF00661
(Matrix) 		5 LEU A 322
ALA A 320
ILE A 314
VAL A 208
ILE A 210
 None
 1.00A 1sduA-4g1gA:
undetectable		 1sduA-4g1gA:
14.12
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.
4gl8 OLIGOPEPTIDE ABC
TRANSPORTER OPPAIV

(Borreliella
burgdorferi) 		PF00496
(SBP_bac_5) 		5 LEU A 237
ILE A  57
GLY A  56
PRO A 209
ILE A 240
 None
 0.91A 1sduA-4gl8A:
undetectable		 1sduA-4gl8A:
11.11
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.
4hv4 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Yersinia pestis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A 112
ILE A  27
GLY A  28
GLY A  29
ILE A  35
 None
 0.97A 1sduA-4hv4A:
undetectable		 1sduA-4hv4A:
11.50
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.
4jq9 DIHYDROLIPOYL
DEHYDROGENASE

(Escherichia
coli) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 428
GLY A 411
GLY A 410
ILE A 409
ILE A 438
 None
 1.04A 1sduA-4jq9A:
undetectable		 1sduA-4jq9A:
12.79
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.
4jwy GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2D

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		5 LEU A 264
ASP A 260
ILE A 112
GLY A 246
ILE A 117
 None
 0.97A 1sduA-4jwyA:
undetectable		 1sduA-4jwyA:
17.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k35 GLYCOSIDE HYDROLASE
FAMILY 81
ENDO-BETA-1,3-GLUCAN
ASE

(Rhizomucor
miehei) 		PF03639
(Glyco_hydro_81) 		5 LEU A  50
GLY A 270
GLY A 269
PRO A  63
ILE A  47
 None
 0.81A 1sduA-4k35A:
undetectable		 1sduA-4k35A:
10.76
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.
4lmb CYSTEINE SYNTHASE

(Microcystis
aeruginosa) 		PF00291
(PALP) 		5 LEU A  19
ALA A 277
ILE A 175
ILE A 294
ILE A  32
 None
 1.02A 1sduA-4lmbA:
undetectable		 1sduA-4lmbA:
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.
4ls5 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 234
GLY A 345
GLY A 166
VAL A 186
ILE A 236
 None
 0.88A 1sduA-4ls5A:
undetectable		 1sduA-4ls5A:
12.09
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.
4mzu WXCM-LIKE PROTEIN

(Shewanella
denitrificans) 		PF00132
(Hexapep)
PF05523
(FdtA) 		5 ALA A 121
ILE A 105
GLY A 106
GLY A 124
ILE A 140
 None
 0.92A 1sduA-4mzuA:
undetectable		 1sduA-4mzuA:
14.39
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
ALA A  28
ILE A  47
GLY A  48
GLY A  49
ILE A  50
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
 0.53A 1sduA-4njvA:
20.6		 1sduA-4njvA:
85.86
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
ALA A  28
ILE A  47
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.54A 1sduA-4njvA:
20.6		 1sduA-4njvA:
85.86
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.
4o4y 2095-2 HEAVY CHAIN

(Homo sapiens;
Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ASP H  77
ILE H  47
GLY H  48
GLY H  49
ILE H  50
 None
 0.85A 1sduA-4o4yH:
undetectable		 1sduA-4o4yH:
17.75
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.
4r37 PUTATIVE
ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Bacteroides
fragilis) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 LEU A 110
ALA A  60
ILE A  44
GLY A  63
ILE A  86
 None
 1.00A 1sduA-4r37A:
undetectable		 1sduA-4r37A:
21.86
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.
4xcv NADP-DEPENDENT
2-HYDROXYACID
DEHYDROGENASE

(Rhizobium etli) 		PF02826
(2-Hacid_dh_C) 		5 LEU A  66
GLY A  73
GLY A  72
ILE A  11
ILE A  69
 None
 1.02A 1sduA-4xcvA:
undetectable		 1sduA-4xcvA:
17.78
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.
4xuy PROBABLE
ENDO-1,4-BETA-XYLANA
SE C

(Aspergillus
niger) 		PF00331
(Glyco_hydro_10) 		5 ALA A 280
ILE A 290
GLY A 289
ILE A 259
ILE A 244
 None
 0.90A 1sduA-4xuyA:
undetectable		 1sduA-4xuyA:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ynn PROTEASE DO

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ALA A 231
ILE A 104
GLY A 105
GLY A 106
ILE A  77
 None
 0.85A 1sduA-4ynnA:
undetectable		 1sduA-4ynnA:
12.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yzo PUTATIVE ACYL-COA
ACYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 255
ILE A 284
GLY A 285
VAL A 351
ILE A 368
 None
 0.97A 1sduA-4yzoA:
undetectable		 1sduA-4yzoA:
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.
5f42 ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Francisella
tularensis) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 LEU A 136
ILE A  81
GLY A  82
GLY A 107
ILE A 118
 None
 0.93A 1sduA-5f42A:
undetectable		 1sduA-5f42A:
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 LEU A1170
GLY A1187
GLY A1188
ILE A1189
ILE A1140
 None
 1.01A 1sduA-5i8iA:
undetectable		 1sduA-5i8iA:
4.62
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.
5ioj HALOALKYLPHOSPHORUS
HYDROLASE

(Sphingobium sp.
TCM1) 		no annotation 5 LEU A 333
ALA A 406
GLY A 413
GLY A 409
VAL A 342
 None
 1.01A 1sduA-5iojA:
undetectable		 1sduA-5iojA:
11.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mz9 -

(-) 		no annotation 5 ALA A 303
GLY A 387
ILE A 385
VAL A 547
ILE A 395
 None
 0.92A 1sduA-5mz9A:
undetectable		 1sduA-5mz9A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o3w PEPTIDE CYCLASE 1

(Gypsophila
vaccaria) 		no annotation 5 ALA A 145
GLY A 189
ILE A 182
VAL A 176
ILE A 158
 None
 1.03A 1sduA-5o3wA:
undetectable		 1sduA-5o3wA:
17.17
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) 		7 LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  49
ILE A  50
ILE A  84
 None
 0.54A 1sduA-5t2zA:
20.0		 1sduA-5t2zA:
81.82
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) 		7 LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 None
 0.61A 1sduA-5t2zA:
20.0		 1sduA-5t2zA:
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.
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobacter
wolfeii) 		PF12838
(Fer4_7) 		5 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
 None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
 1.01A 1sduA-5t5iG:
undetectable		 1sduA-5t5iG:
25.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wka BETA-GLUCOSIDASE

(metagenome) 		no annotation 5 LEU A 418
GLY A 455
PRO A 446
VAL A 435
ILE A 434
 None
 0.96A 1sduA-5wkaA:
undetectable		 1sduA-5wkaA:
21.84
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.
5wol 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Coxiella
burnetii) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		5 LEU A  28
GLY A 100
ILE A 102
VAL A   5
ILE A   3
 None
 1.02A 1sduA-5wolA:
undetectable		 1sduA-5wolA:
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 5 ARG A 247
ILE A 152
GLY A 150
VAL A  63
ILE A  65
 None
 0.92A 1sduA-6ekiA:
undetectable		 1sduA-6ekiA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6en4 SPLICING FACTOR 3B
SUBUNIT 3

(Homo sapiens) 		no annotation 5 LEU A 906
ILE A 990
GLY A 964
VAL A 959
ILE A 952
 None
 1.03A 1sduA-6en4A:
undetectable		 1sduA-6en4A:
22.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 LEU A  28
ASP A  30
ALA A  33
GLY A  58
VAL A  99
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.4A)
None
 0.45A 1sduA-6fivA:
15.3		 1sduA-6fivA:
31.40
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.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)

(Homo sapiens) 		no annotation 5 ARG A1221
LEU A1198
ALA A1184
GLY A1177
GLY A1178
 None
 0.93A 1sduA-6fn1A:
undetectable		 1sduA-6fn1A:
21.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ASP A  25
ILE A  50
ILE A  84
 None
None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.9A)
None
 0.87A 1sduA-6upjA:
17.8		 1sduA-6upjA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
GLY A  48
GLY A  49
ILE A  50
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.72A 1sduA-6upjA:
17.8		 1sduA-6upjA:
48.48
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) 		6 LEU A  23
ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
None
 0.80A 1sduA-6upjA:
17.8		 1sduA-6upjA:
48.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bqc PROTEIN
(BETA-MANNANASE)

(Thermobifida
fusca) 		PF00150
(Cellulase) 		5 GLY A 227
ILE A 195
GLY A 224
ILE A 252
ILE A 240
 None
 0.89A 1sduB-1bqcA:
undetectable		 1sduB-1bqcA:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fob BETA-1,4-GALACTANASE

(Aspergillus
aculeatus) 		PF07745
(Glyco_hydro_53) 		5 GLY A  40
ALA A  39
ASP A  38
PRO A 299
ILE A 328
 None
 0.92A 1sduB-1fobA:
undetectable		 1sduB-1fobA:
13.99
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 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 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)
 1.03A 1sduB-1hvcA:
13.9		 1sduB-1hvcA:
46.31
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) 		10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.39A 1sduB-1hvcA:
13.9		 1sduB-1hvcA:
46.31
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.41A 1sduB-1hvcA:
13.9		 1sduB-1hvcA:
46.31
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) 		10 ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.38A 1sduB-1hvcA:
13.9		 1sduB-1hvcA:
46.31
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 ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.37A 1sduB-1hvcA:
13.9		 1sduB-1hvcA:
46.31
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 ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  47
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.52A 1sduB-1hvcA:
13.9		 1sduB-1hvcA:
46.31
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.
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
 0.78A 1sduB-1l5jA:
undetectable		 1sduB-1l5jA:
9.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lk5 D-RIBOSE-5-PHOSPHATE
ISOMERASE

(Pyrococcus
horikoshii) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A 101
ALA A 102
GLY A 207
ILE A  97
ILE A 179
 CL  A1001 (-3.4A)
None
None
None
None
 0.97A 1sduB-1lk5A:
undetectable		 1sduB-1lk5A:
20.52
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.
1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 GLY A 288
ASP A 261
GLY A 235
VAL A 247
ILE A 238
 None
NAD  A 987 (-2.5A)
None
None
None
 0.94A 1sduB-1mewA:
undetectable		 1sduB-1mewA:
11.99
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.
1nt4 GLUCOSE-1-PHOSPHATAS
E

(Escherichia
coli) 		PF00328
(His_Phos_2) 		5 GLY A  61
ALA A 106
ILE A 283
VAL A 114
ILE A 103
 None
 1.13A 1sduB-1nt4A:
undetectable		 1sduB-1nt4A:
15.25
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.
1oh2 SUCROSE SPECIFIC
PORIN

(Salmonella
enterica) 		PF02264
(LamB) 		5 ARG Q 338
ALA Q 356
GLY Q 109
ILE Q 108
ILE Q 195
 None
 0.76A 1sduB-1oh2Q:
undetectable		 1sduB-1oh2Q:
12.83
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
 0.48A 1sduB-1q9pA:
9.9		 1sduB-1q9pA:
98.95
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 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.36A 1sduB-1sivA:
18.3		 1sduB-1sivA:
50.98
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 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 None
 0.36A 1sduB-1sivA:
18.3		 1sduB-1sivA:
50.98
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 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.40A 1sduB-1sivA:
18.3		 1sduB-1sivA:
50.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tjr BX1

(Zea mays) 		PF00290
(Trp_syntA) 		5 GLY A 307
ALA A 308
ASP A 309
VAL A 269
ILE A 303
 None
 0.90A 1sduB-1tjrA:
undetectable		 1sduB-1tjrA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1to3 PUTATIVE ALDOLASE
YIHT

(Salmonella
enterica) 		PF01791
(DeoC) 		5 GLY A 188
ALA A 189
ASP A 190
VAL A 127
ILE A 158
 None
 0.71A 1sduB-1to3A:
undetectable		 1sduB-1to3A:
12.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 ALA A 190
ASP A 191
GLY A 244
ILE A 247
ILE A 259
 None
None
SO4  A 373 (-3.5A)
None
None
 0.92A 1sduB-1to6A:
undetectable		 1sduB-1to6A:
15.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w3f HEMOLYTIC LECTIN
FROM LAETIPORUS
SULPHUREUS

(Laetiporus
sulphureus) 		PF03318
(ETX_MTX2) 		5 GLY A 241
GLY A 296
ILE A 297
PRO A 221
VAL A 220
 None
 0.96A 1sduB-1w3fA:
undetectable		 1sduB-1w3fA:
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.
1xtz RIBOSE-5-PHOSPHATE
ISOMERASE

(Saccharomyces
cerevisiae) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A 123
ALA A 124
GLY A 235
ILE A 119
ILE A 207
 None
 1.01A 1sduB-1xtzA:
undetectable		 1sduB-1xtzA:
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.
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
 0.79A 1sduB-2bc0A:
undetectable		 1sduB-2bc0A:
13.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f20 CONSERVED
HYPOTHETICAL
PROTEIN, WITH
CONSERVED DOMAIN

(Bacteroides
thetaiotaomicron) 		PF02586
(SRAP) 		5 GLY A  19
ILE A 132
ILE A  12
PRO A  47
ILE A  49
 None
 1.03A 1sduB-2f20A:
undetectable		 1sduB-2f20A:
17.79
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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  53
GLY A  55
PRO A  86
VAL A  87
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 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.49A 1sduB-2fmbA:
15.2		 1sduB-2fmbA:
33.02
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.
2gzl 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Escherichia
coli) 		PF02542
(YgbB) 		5 GLY A  37
ASP A   8
GLY A 145
PRO A 103
ILE A  20
 None
ZN  A 900 ( 2.4A)
None
None
None
 1.07A 1sduB-2gzlA:
undetectable		 1sduB-2gzlA:
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.
2h6e D-ARABINOSE
1-DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  39
ALA A  38
ILE A  62
GLY A 115
ILE A  35
 None
 0.89A 1sduB-2h6eA:
undetectable		 1sduB-2h6eA:
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.
2kxe DNA POLYMERASE II
SMALL SUBUNIT

(Pyrococcus
horikoshii) 		no annotation 5 ALA A  19
ASP A  51
ASP A  50
VAL A   5
ILE A  15
 None
 1.10A 1sduB-2kxeA:
undetectable		 1sduB-2kxeA:
23.96
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.
2oap TYPE II SECRETION
SYSTEM PROTEIN

(Archaeoglobus
fulgidus) 		PF00437
(T2SSE) 		5 ALA 1  58
ILE 1 158
PRO 1 155
VAL 1 171
ILE 1 170
 None
 1.04A 1sduB-2oap1:
undetectable		 1sduB-2oap1:
11.43
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.
2q7x UPF0052 PROTEIN
SP_1565

(Streptococcus
pneumoniae) 		PF01933
(UPF0052) 		5 ARG A 300
GLY A 192
PRO A  16
VAL A  17
ILE A  18
 None
 1.07A 1sduB-2q7xA:
undetectable		 1sduB-2q7xA:
17.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
GLY A  27
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.57A 1sduB-2rkfA:
20.6		 1sduB-2rkfA:
81.82
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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 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 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.42A 1sduB-2rkfA:
20.6		 1sduB-2rkfA:
81.82
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) 		6 ARG A  10
ASP A  37
GLY A  39
ALA A  40
ASP A  41
ILE A 108
 None
 0.87A 1sduB-2rspA:
12.7		 1sduB-2rspA:
32.80
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		5 GLY G 621
ALA G 620
ILE G 617
GLY G 648
ILE G 676
 None
FMN  G3051 ( 4.7A)
None
None
None
 0.96A 1sduB-2uv8G:
undetectable		 1sduB-2uv8G:
4.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cj1 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 2

(Rattus
norvegicus) 		PF01150
(GDA1_CD39) 		5 GLY A  47
ALA A  46
ASP A  45
VAL A 139
ILE A  82
 None
 1.12A 1sduB-3cj1A:
undetectable		 1sduB-3cj1A:
11.01
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.
3dbg PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 GLY A 359
ALA A 360
ASP A 361
PRO A  24
ILE A 356
 None
 0.85A 1sduB-3dbgA:
undetectable		 1sduB-3dbgA:
11.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3egj N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Vibrio cholerae) 		PF01979
(Amidohydro_1) 		5 GLY A 241
ALA A 240
ILE A 260
VAL A 228
ILE A 232
 None
 0.99A 1sduB-3egjA:
undetectable		 1sduB-3egjA:
15.66
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.
3fbs OXIDOREDUCTASE

(Agrobacterium
fabrum) 		PF07992
(Pyr_redox_2) 		5 GLY A 284
ALA A  17
ILE A  66
GLY A  22
ILE A   7
 None
 0.85A 1sduB-3fbsA:
undetectable		 1sduB-3fbsA:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Brucella
melitensis) 		PF00793
(DAHP_synth_1) 		5 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.85A 1sduB-3fs2A:
undetectable		 1sduB-3fs2A:
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.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		5 GLY A 121
ALA A 122
ASP A 123
ILE A  89
ILE A 126
 None
 0.85A 1sduB-3gveA:
undetectable		 1sduB-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.
3hdf LYSOZYME

(Escherichia
virus Lambda) 		PF00959
(Phage_lysozyme) 		5 ALA A 131
ASP A 127
GLY A 163
PRO A  95
ILE A 123
 None
 0.98A 1sduB-3hdfA:
undetectable		 1sduB-3hdfA:
20.29
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 ALA A 265
ASP A 266
GLY A 460
ILE A 459
ILE A 224
 None
 0.91A 1sduB-3i5gA:
undetectable		 1sduB-3i5gA:
8.12
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.
3kf3 INVERTASE

(Schwanniomyces
occidentalis) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ASP A 287
GLY A 289
ASP A 291
ILE A 485
PRO A 355
 None
None
None
None
NAG  A5001 ( 4.9A)
 1.03A 1sduB-3kf3A:
undetectable		 1sduB-3kf3A:
12.22
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.
3kiz PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Cytophaga
hutchinsonii) 		PF02769
(AIRS_C) 		5 GLY A  59
ASP A 161
ILE A 108
VAL A  77
ILE A  81
 EDO  A 398 ( 3.8A)
None
ACT  A 394 ( 4.6A)
None
None
 0.94A 1sduB-3kizA:
undetectable		 1sduB-3kizA:
13.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mwc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Kosmotoga
olearia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 310
ALA A 336
ASP A 337
VAL A 363
ILE A 149
 None
 1.06A 1sduB-3mwcA:
undetectable		 1sduB-3mwcA:
15.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
VAL A  82
ILE A  84
 None
 0.47A 1sduB-3mwsA:
19.9		 1sduB-3mwsA:
78.79
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
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 None
 0.37A 1sduB-3mwsA:
19.9		 1sduB-3mwsA:
78.79
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.48A 1sduB-3mwsA:
19.9		 1sduB-3mwsA:
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.
3ntl ACID
GLUCOSE-1-PHOSPHATE
PHOSPHATASE

(Enterobacter
cloacae) 		PF00328
(His_Phos_2) 		5 GLY A  59
ALA A 104
ILE A 281
VAL A 112
ILE A 101
 None
 1.12A 1sduB-3ntlA:
undetectable		 1sduB-3ntlA:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		5 GLY A 224
ALA A 225
ASP A 226
ILE A 192
VAL A 207
 PO4  A 767 ( 4.6A)
None
None
None
None
 1.06A 1sduB-3o8lA:
undetectable		 1sduB-3o8lA:
9.27
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.89A 1sduB-3opyA:
undetectable		 1sduB-3opyA:
7.72
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.
3ors N5-CARBOXYAMINOIMIDA
ZOLE RIBONUCLEOTIDE
MUTASE

(Staphylococcus
aureus) 		PF00731
(AIRC) 		5 ALA A  67
ILE A  86
GLY A  93
ILE A  94
ILE A 100
 None
 1.14A 1sduB-3orsA:
undetectable		 1sduB-3orsA:
21.34
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.
3r8y 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF00132
(Hexapep)
PF08503
(DapH_N)
PF14602
(Hexapep_2) 		5 ALA A  92
ASP A 108
GLY A  89
VAL A 104
ILE A 106
 None
 1.11A 1sduB-3r8yA:
undetectable		 1sduB-3r8yA:
19.25
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 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
 SO4  A 101 (-3.8A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.66A 1sduB-3t3cA:
18.4		 1sduB-3t3cA:
75.76
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 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
 SO4  A 101 (-3.8A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
None
 0.81A 1sduB-3t3cA:
18.4		 1sduB-3t3cA:
75.76
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.55A 1sduB-3t3cA:
18.4		 1sduB-3t3cA:
75.76
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
None
 0.65A 1sduB-3t3cA:
18.4		 1sduB-3t3cA:
75.76
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) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.45A 1sduB-3ttpA:
19.3		 1sduB-3ttpA:
75.76
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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 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)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.60A 1sduB-3ttpA:
19.3		 1sduB-3ttpA:
75.76
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) 		10 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.64A 1sduB-3u7sA:
19.7		 1sduB-3u7sA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
PRO A  81
VAL A  82
 None
 0.42A 1sduB-3uhlA:
16.3		 1sduB-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.
3upu ATP-DEPENDENT DNA
HELICASE DDA

(Escherichia
virus T4) 		PF13604
(AAA_30) 		5 ALA A  60
ILE A 138
GLY A 140
ILE A 141
ILE A  81
 None
 1.13A 1sduB-3upuA:
undetectable		 1sduB-3upuA:
17.25
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.
3waj TRANSMEMBRANE
OLIGOSACCHARYL
TRANSFERASE

(Archaeoglobus
fulgidus) 		PF02516
(STT3) 		5 GLY A 116
ILE A 164
PRO A 123
VAL A 124
ILE A 121
 None
 1.12A 1sduB-3wajA:
undetectable		 1sduB-3wajA:
7.43
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.
3zx2 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 1

(Rattus
norvegicus) 		PF01150
(GDA1_CD39) 		5 GLY A  56
ALA A  55
ASP A  54
VAL A 148
ILE A  91
 None
 1.11A 1sduB-3zx2A:
undetectable		 1sduB-3zx2A:
12.56
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.
4b2o YMDB
PHOSPHODIESTERASE

(Bacillus
subtilis) 		PF13277
(YmdB) 		5 GLY A  59
ALA A  60
ASP A  61
VAL A   9
ILE A  36
 None
 1.01A 1sduB-4b2oA:
undetectable		 1sduB-4b2oA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ALA A 180
GLY A 130
ILE A 135
VAL A 143
ILE A 144
 None
 0.91A 1sduB-4c30A:
undetectable		 1sduB-4c30A:
9.89
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.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		5 ALA A 180
GLY A 175
ILE A 174
PRO A 134
ILE A 109
 None
 0.92A 1sduB-4c3yA:
undetectable		 1sduB-4c3yA:
11.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dpp DIHYDRODIPICOLINATE
SYNTHASE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00701
(DHDPS) 		5 ASP A  83
ALA A  86
ASP A  89
GLY A 312
VAL A 317
 None
 1.14A 1sduB-4dppA:
undetectable		 1sduB-4dppA:
15.67
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.
4ev4 CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1

(Serratia
fonticola) 		PF13354
(Beta-lactamase2) 		5 ASP A 131
GLY A 133
ALA A 134
ILE A  95
ILE A 113
 None
HAR  A 100 ( 3.6A)
None
None
None
 1.03A 1sduB-4ev4A:
undetectable		 1sduB-4ev4A:
17.14
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.
4g09 HISTIDINOL
DEHYDROGENASE

(Brucella suis) 		PF00815
(Histidinol_dh) 		5 ALA A 243
ASP A 244
GLY A 352
ILE A 351
ILE A 241
 None
 1.10A 1sduB-4g09A:
undetectable		 1sduB-4g09A:
12.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC

([Bacillus]
selenitireducens) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 ARG A 371
GLY A 376
ALA A 377
ILE A 420
ILE A 414
 1PE  A 802 (-3.8A)
None
None
None
None
 0.77A 1sduB-4ktpA:
undetectable		 1sduB-4ktpA:
10.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.54A 1sduB-4njvA:
20.4		 1sduB-4njvA:
85.86
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.49A 1sduB-4njvA:
20.4		 1sduB-4njvA:
85.86
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 ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.40A 1sduB-4njvA:
20.4		 1sduB-4njvA:
85.86
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.
4ttp DEPHOSPHO-COA KINASE

(Legionella
pneumophila) 		PF01121
(CoaE) 		5 ALA A 175
ASP A 176
ASP A 177
GLY A  12
ILE A 118
 None
 0.86A 1sduB-4ttpA:
undetectable		 1sduB-4ttpA:
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.
4uqg DNA POLYMERASE

(Geobacillus
stearothermophilus) 		PF00476
(DNA_pol_A) 		5 GLY A 523
ALA A 522
ILE A 528
VAL A 536
ILE A 537
 None
 0.96A 1sduB-4uqgA:
undetectable		 1sduB-4uqgA:
13.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 ASP A  32
GLY A  34
ALA A  35
ASP A  36
GLY A  58
ILE A 100
 4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.54A 1sduB-4ydfA:
12.6		 1sduB-4ydfA:
31.30
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.
4zox RIBOSOME ASSEMBLY
PROTEIN SQT1

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A 419
ALA A 418
GLY A  84
VAL A  80
ILE A  71
 None
 1.08A 1sduB-4zoxA:
undetectable		 1sduB-4zoxA:
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.
5ams RIBOSOME ASSEMBLY
PROTEIN SQT1

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A 419
ALA A 418
GLY A  84
VAL A  80
ILE A  71
 None
 1.08A 1sduB-5amsA:
undetectable		 1sduB-5amsA:
13.18
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
PRO A  81
ILE A  84
 None
 0.38A 1sduB-5b18A:
18.3		 1sduB-5b18A:
74.75
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
 0.74A 1sduB-5b18A:
18.3		 1sduB-5b18A:
74.75
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.
5b1q U14 PROTEIN

(Human
betaherpesvirus
6B) 		PF04637
(Herpes_pp85) 		5 ALA A  44
ASP A  40
ILE A  38
ILE A  33
ILE A  64
 None
 1.01A 1sduB-5b1qA:
undetectable		 1sduB-5b1qA:
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.
5ewt EXODEOXYRIBONUCLEASE
III XTH

(Sulfolobus
islandicus) 		PF03372
(Exo_endo_phos) 		5 GLY A 154
ALA A 155
ILE A 161
GLY A 163
ILE A 147
 None
 1.07A 1sduB-5ewtA:
undetectable		 1sduB-5ewtA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hab RIBONUCLEASE J

(Methanolobus
psychrophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 GLY A 376
ALA A 377
ASP A 347
ILE A 241
ILE A 379
 None
 1.11A 1sduB-5habA:
undetectable		 1sduB-5habA:
13.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ilg PHOTORECEPTOR
DEHYDROGENASE,
ISOFORM C

(Drosophila
melanogaster) 		PF00106
(adh_short) 		5 ASP A 232
ASP A  85
GLY A 174
VAL A 178
ILE A 131
 None
 1.07A 1sduB-5ilgA:
undetectable		 1sduB-5ilgA:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n7f MEMBRANE-ASSOCIATED
GUANYLATE KINASE, WW
AND PDZ
DOMAIN-CONTAINING
PROTEIN 1,ANNEXIN A2

(Homo sapiens) 		no annotation 5 GLY A 741
ALA A 740
ASP A 736
ILE A 755
ILE A 783
 CA  A 905 (-4.7A)
None
None
None
None
 1.13A 1sduB-5n7fA:
undetectable		 1sduB-5n7fA:
13.43
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) 		10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.55A 1sduB-5t2zA:
19.9		 1sduB-5t2zA:
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.
5tr3 DIHYDROLIPOYL
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 173
ASP A 170
ILE A 192
GLY A  53
VAL A 199
 None
None
FAD  A 501 (-4.4A)
FAD  A 501 (-3.4A)
None
 1.10A 1sduB-5tr3A:
undetectable		 1sduB-5tr3A:
13.19
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.
5ve3 BPPRF

(Paraburkholderia
phytofirmans) 		no annotation 5 GLY B  88
ALA B  89
ASP B  90
VAL B  59
ILE B  80
 None
 0.77A 1sduB-5ve3B:
undetectable		 1sduB-5ve3B:
13.41
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.
5vm2 ALCOHOL
DEHYDROGENASE

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 237
ALA A 238
ASP A 239
VAL A 199
ILE A 173
 None
 0.92A 1sduB-5vm2A:
undetectable		 1sduB-5vm2A:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yb7 L-AMINO ACID
OXIDASE/MONOOXYGENAS
E

(Pseudomonas sp.
AIU 813) 		no annotation 5 GLY A 502
ALA A 326
ILE A  50
ILE A 505
ILE A 531
 None
 1.01A 1sduB-5yb7A:
undetectable		 1sduB-5yb7A:
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.
5ybw ASPARTATE RACEMASE

(Scapharca
broughtonii) 		no annotation 5 ASP A 244
GLY A 245
GLY A 295
ILE A 290
PRO A 331
 None
LLP  A  63 ( 4.2A)
None
None
None
 0.98A 1sduB-5ybwA:
undetectable		 1sduB-5ybwA:
23.58
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.
6b92 U6 SMALL NUCLEAR RNA
(ADENINE-(43)-N(6))-
METHYLTRANSFERASE

(Homo sapiens) 		no annotation 5 GLY A 121
ALA A 122
GLY A 106
VAL A 157
ILE A 155
 None
 1.04A 1sduB-6b92A:
undetectable		 1sduB-6b92A:
15.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bz0 DIHYDROLIPOYL
DEHYDROGENASE

(Acinetobacter
baumannii) 		no annotation 5 GLY A 172
ASP A 169
ILE A 191
GLY A  52
VAL A 198
 CL  A 503 (-3.5A)
CL  A 503 (-3.5A)
FAD  A 501 (-4.2A)
FAD  A 501 (-3.4A)
None
 1.11A 1sduB-6bz0A:
undetectable		 1sduB-6bz0A:
22.64
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 5 ARG A 247
ILE A 152
GLY A 150
VAL A  63
ILE A  65
 None
 0.84A 1sduB-6ekiA:
undetectable		 1sduB-6ekiA:
22.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 ASP A  30
GLY A  32
ALA A  33
ASP A  34
GLY A  58
 3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
 0.32A 1sduB-6fivA:
15.5		 1sduB-6fivA:
31.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 ASP A  30
GLY A  32
ALA A  33
ASP A  34
VAL A  99
 3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
None
 0.49A 1sduB-6fivA:
15.5		 1sduB-6fivA:
31.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
 0.46A 1sduB-6upjA:
18.0		 1sduB-6upjA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ASP A  25
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
None
NIU  A 100 ( 3.8A)
None
None
 0.65A 1sduB-6upjA:
18.0		 1sduB-6upjA:
48.48
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) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
None
 0.42A 1sduB-6upjA:
18.0		 1sduB-6upjA:
48.48