SIMILAR PATTERNS OF AMINO ACIDS FOR 3WSJ_A_MK1A201

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.
1b8x PROTEIN (AML-1B)

(Escherichia
coli) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 LEU A 125
ALA A 157
ASP A 156
LEU A  99
ILE A 101
 None
 1.37A 3wsjA-1b8xA:
undetectable		 3wsjA-1b8xA:
19.03
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.
1bg5 FUSION PROTEIN OF
ALPHA-NA,K-ATPASE
WITH GLUTATHIONE
S-TRANSFERASE

(Rattus
norvegicus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 LEU A 126
ALA A 158
ASP A 157
LEU A 100
ILE A 102
 None
 1.41A 3wsjA-1bg5A:
undetectable		 3wsjA-1bg5A:
19.11
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.
1d9s CYCLIN-DEPENDENT
KINASE 4 INHIBITOR B

(Mus musculus) 		PF12796
(Ank_2) 		5 LEU A  85
ALA A  79
ASP A  78
LEU A 111
ILE A 120
 None
 1.29A 3wsjA-1d9sA:
undetectable		 3wsjA-1d9sA:
26.76
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.
1fob BETA-1,4-GALACTANASE

(Aspergillus
aculeatus) 		PF07745
(Glyco_hydro_53) 		5 LEU A 331
ALA A  39
ASP A  38
VAL A 324
ILE A 328
 None
 1.23A 3wsjA-1fobA:
0.0		 3wsjA-1fobA:
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.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
ASP A  29
VAL A  32
LEU A  76
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 ( 4.4A)
None
A79  A 800 (-3.6A)
 0.78A 3wsjA-1hvcA:
8.9		 3wsjA-1hvcA:
23.15
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.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
ASP A  29
VAL A  32
LEU A  76
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 ( 4.3A)
None
A79  A 800 (-3.8A)
 0.86A 3wsjA-1hvcA:
8.9		 3wsjA-1hvcA:
23.15
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.
1hyg L-LACTATE/MALATE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 107
ASP A 135
VAL A 143
LEU A 133
ILE A 118
 None
 1.37A 3wsjA-1hygA:
0.0		 3wsjA-1hygA:
15.97
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.
1is7 GTP CYCLOHYDROLASE I

(Rattus
norvegicus) 		PF01227
(GTP_cyclohydroI) 		5 LEU A 154
ALA A 183
VAL A 193
LEU A 222
ILE A 184
 None
 1.43A 3wsjA-1is7A:
0.0		 3wsjA-1is7A:
20.87
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.
1iw8 ACID PHOSPHATASE

(Shimwellia
blattae) 		PF01569
(PAP2) 		5 LEU A  55
ALA A  64
ASP A  67
VAL A 184
ILE A 185
 None
 1.21A 3wsjA-1iw8A:
undetectable		 3wsjA-1iw8A:
20.33
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.
1l6r HYPOTHETICAL PROTEIN
TA0175

(Thermoplasma
acidophilum) 		PF08282
(Hydrolase_3) 		5 ARG A   3
ALA A   6
VAL A 186
LEU A 184
ILE A 169
 None
 1.43A 3wsjA-1l6rA:
0.0		 3wsjA-1l6rA:
19.15
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.
1mhs PLASMA MEMBRANE
ATPASE

(Neurospora
crassa) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		5 ASP A 663
ALA A 365
VAL A 360
LEU A 353
ILE A 664
 None
 1.30A 3wsjA-1mhsA:
0.0		 3wsjA-1mhsA:
8.45
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.
1mtp SERINE PROTEINASE
INHIBITOR (SERPIN),
CHAIN A
SERINE PROTEINASE
INHIBITOR (SERPIN),
CHAIN B

(Thermobifida
fusca) 		PF00079
(Serpin)
no annotation 		5 LEU A 213
ALA A 166
ASP A  82
VAL B 346
LEU B 353
 None
 1.42A 3wsjA-1mtpA:
0.0		 3wsjA-1mtpA:
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.
1pzn DNA REPAIR AND
RECOMBINATION
PROTEIN RAD51

(Pyrococcus
furiosus) 		PF08423
(Rad51)
PF14520
(HHH_5) 		5 ARG A 312
ASP A 267
VAL A 279
LEU A 235
ILE A 133
 None
 1.07A 3wsjA-1pznA:
undetectable		 3wsjA-1pznA:
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.
1q5d P450 EPOXIDASE

(Sorangium
cellulosum) 		PF00067
(p450) 		5 ARG A 307
LEU A 328
ALA A 333
ASP A 336
ILE A 330
 HEM  A 440 (-3.1A)
None
None
None
None
 1.36A 3wsjA-1q5dA:
undetectable		 3wsjA-1q5dA:
13.64
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) 		5 ASP A  25
ALA A  28
ASP A  29
VAL A  32
ILE A  84
 None
 0.51A 3wsjA-1q9pA:
7.9		 3wsjA-1q9pA:
33.04
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
ASP A  29
ILE A  84
 None
 0.40A 3wsjA-1sivA:
12.4		 3wsjA-1sivA:
36.97
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.
1u8s GLYCINE CLEAVAGE
SYSTEM
TRANSCRIPTIONAL
REPRESSOR, PUTATIVE

(Vibrio cholerae) 		PF13740
(ACT_6) 		5 LEU A 124
ALA A 147
VAL A  96
LEU A 175
ILE A 145
 None
 1.13A 3wsjA-1u8sA:
undetectable		 3wsjA-1u8sA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uuo DIHYDROOROTATE
DEHYDROGENASE

(Rattus rattus) 		PF01180
(DHO_dh) 		5 LEU A 182
ALA A 206
ASP A 207
VAL A 118
ILE A 180
 None
 1.27A 3wsjA-1uuoA:
undetectable		 3wsjA-1uuoA:
19.36
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.
1vr0 PROBABLE
2-PHOSPHOSULFOLACTAT
E PHOSPHATASE

(Clostridium
acetobutylicum) 		PF04029
(2-ph_phosp) 		5 LEU A  67
ALA A  65
ASP A  64
VAL A  46
ILE A  99
 None
 1.42A 3wsjA-1vr0A:
undetectable		 3wsjA-1vr0A:
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.
1xf1 C5A PEPTIDASE

(Streptococcus
pyogenes) 		PF00082
(Peptidase_S8)
PF02225
(PA)
PF06280
(fn3_5)
PF13585
(CHU_C) 		5 LEU A 524
ALA A 577
ASP A 576
VAL A 518
ILE A 521
 None
 1.32A 3wsjA-1xf1A:
undetectable		 3wsjA-1xf1A:
9.46
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.
1yk3 HYPOTHETICAL PROTEIN
RV1347C/MT1389

(Mycobacterium
tuberculosis) 		PF13523
(Acetyltransf_8) 		5 ARG A 163
ALA A 111
ASP A 114
VAL A  28
LEU A  24
 None
 1.22A 3wsjA-1yk3A:
undetectable		 3wsjA-1yk3A:
19.91
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.
1yk3 HYPOTHETICAL PROTEIN
RV1347C/MT1389

(Mycobacterium
tuberculosis) 		PF13523
(Acetyltransf_8) 		5 ARG A 163
ASP A 126
ALA A 111
VAL A  28
LEU A  24
 None
 1.39A 3wsjA-1yk3A:
undetectable		 3wsjA-1yk3A:
19.91
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.
1yqd SINAPYL ALCOHOL
DEHYDROGENASE

(Populus
tremuloides) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ARG A 348
ASP A 331
VAL A 353
LEU A 357
ILE A 351
 NAP  A 500 (-3.1A)
None
None
None
None
 1.35A 3wsjA-1yqdA:
undetectable		 3wsjA-1yqdA:
17.00
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.
2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE

(Bordetella
pertussis) 		PF03497
(Anthrax_toxA) 		5 LEU A 185
ALA A  64
ASP A  99
VAL A  78
ILE A 177
 None
 1.34A 3wsjA-2colA:
undetectable		 3wsjA-2colA:
13.35
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.
2e3d UTP--GLUCOSE-1-PHOSP
HATE
URIDYLYLTRANSFERASE

(Escherichia
coli) 		PF00483
(NTP_transferase) 		5 LEU A 220
ALA A 244
ASP A 243
TRP A 225
ILE A 224
 None
 1.40A 3wsjA-2e3dA:
undetectable		 3wsjA-2e3dA:
16.95
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
ALA A  28
ASP A  29
ILE A  89
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.2A)
 0.49A 3wsjA-2fmbA:
11.0		 3wsjA-2fmbA:
31.93
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
ALA A  28
ASP A  29
VAL A  32
LEU A  81
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
None
LP1  A 201 (-4.2A)
 0.81A 3wsjA-2fmbA:
11.0		 3wsjA-2fmbA:
31.93
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.
2jok PUTATIVE
G-NUCLEOTIDE
EXCHANGE FACTOR

(Burkholderia
pseudomallei) 		PF07487
(SopE_GEF) 		5 LEU A 119
ALA A 152
ASP A 151
VAL A 233
LEU A 236
 None
 1.34A 3wsjA-2jokA:
undetectable		 3wsjA-2jokA:
21.88
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.
2o52 RAS-RELATED PROTEIN
RAB-4B

(Homo sapiens) 		PF00071
(Ras) 		5 ALA A 106
ASP A 105
VAL A 116
LEU A  86
ILE A 114
 None
 1.43A 3wsjA-2o52A:
undetectable		 3wsjA-2o52A:
16.67
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
ASP A  29
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 ( 4.2A)
 0.60A 3wsjA-2rkfA:
12.9		 3wsjA-2rkfA:
34.19
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
ASP A  25
ALA A  28
ASP A  29
LEU A  76
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
None
AB1  A 501 ( 4.2A)
 0.72A 3wsjA-2rkfA:
12.9		 3wsjA-2rkfA:
34.19
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.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		6 ARG A  10
LEU A  35
ASP A  37
ALA A  40
ASP A  41
ILE A 108
 None
 0.86A 3wsjA-2rspA:
13.0		 3wsjA-2rspA:
29.23
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.
2xh1 KYNURENINE/ALPHA-AMI
NOADIPATE
AMINOTRANSFERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		5 LEU A 194
ASP A 231
VAL A 255
LEU A 247
ILE A 227
 None
 1.18A 3wsjA-2xh1A:
undetectable		 3wsjA-2xh1A:
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.
2xua 3-OXOADIPATE
ENOL-LACTONASE

(Paraburkholderia
xenovorans) 		PF12146
(Hydrolase_4) 		5 ARG A  61
LEU A  78
ALA A 196
ASP A 197
ILE A  75
 None
 1.31A 3wsjA-2xuaA:
undetectable		 3wsjA-2xuaA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ybx PHOSPHATIDYLINOSITOL
-5-PHOSPHATE
4-KINASE TYPE-2
ALPHA

(Homo sapiens) 		PF01504
(PIP5K) 		5 LEU A  52
ASP A 109
VAL A  45
LEU A 116
ILE A  49
 None
 1.44A 3wsjA-2ybxA:
undetectable		 3wsjA-2ybxA:
14.70
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.
2yub LIM DOMAIN KINASE 2

(Mus musculus) 		PF00595
(PDZ) 		5 LEU A  99
ALA A  89
ASP A  88
LEU A  81
ILE A  73
 None
 1.26A 3wsjA-2yubA:
undetectable		 3wsjA-2yubA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c0b CONSERVED ARCHAEAL
PROTEIN Q6M145

(Methanococcus
maripaludis) 		PF01968
(Hydantoinase_A) 		5 LEU A  99
ALA A  79
VAL A  50
LEU A   3
ILE A  87
 None
 1.27A 3wsjA-3c0bA:
undetectable		 3wsjA-3c0bA:
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.
3csw PUTATIVE
BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Thermotoga
maritima) 		PF01063
(Aminotran_4) 		5 LEU A  34
ALA A  77
ASP A  78
LEU A   2
ILE A  86
 None
 1.29A 3wsjA-3cswA:
undetectable		 3wsjA-3cswA:
17.20
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.
3d0q PROTEIN CALG3

(Micromonospora
echinospora) 		PF06722
(DUF1205) 		5 LEU A 246
ALA A 237
VAL A 282
LEU A 301
ILE A 215
 None
 1.02A 3wsjA-3d0qA:
undetectable		 3wsjA-3d0qA:
16.53
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.
3gay FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Giardia
intestinalis) 		PF01116
(F_bP_aldolase) 		5 ARG A  14
LEU A 207
ALA A 158
ASP A 157
ILE A 199
 None
 1.45A 3wsjA-3gayA:
undetectable		 3wsjA-3gayA:
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.
3h4x PHOSPHATIDYLINOSITOL
-SPECIFIC
PHOSPHOLIPASE C1

(Streptomyces
antibioticus) 		PF16670
(PI-PLC-C1) 		5 LEU A 312
ALA A 322
ASP A 323
VAL A  34
LEU A 331
 None
 1.16A 3wsjA-3h4xA:
undetectable		 3wsjA-3h4xA:
14.94
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.
3js3 3-DEHYDROQUINATE
DEHYDRATASE

(Clostridioides
difficile) 		PF01487
(DHquinase_I) 		5 LEU A 118
ALA A 167
ASP A 168
VAL A 116
ILE A 141
 None
 1.30A 3wsjA-3js3A:
undetectable		 3wsjA-3js3A:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k1d 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 LEU A 400
VAL A 340
LEU A 292
TRP A 399
ILE A 405
 None
 1.42A 3wsjA-3k1dA:
undetectable		 3wsjA-3k1dA:
10.73
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.
3l77 SHORT-CHAIN ALCOHOL
DEHYDROGENASE

(Thermococcus
sibiricus) 		PF00106
(adh_short) 		5 LEU A  30
ALA A   4
VAL A  84
LEU A 133
ILE A   6
 None
 1.27A 3wsjA-3l77A:
undetectable		 3wsjA-3l77A:
18.45
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.
3ldg PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.472

(Streptococcus
mutans) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 LEU A 257
ASP A 200
VAL A 285
LEU A 287
ILE A 259
 None
 1.38A 3wsjA-3ldgA:
undetectable		 3wsjA-3ldgA:
15.62
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.
3mnf PAC2 FAMILY PROTEIN

(Streptomyces
avermitilis) 		PF09754
(PAC2) 		5 ARG A 208
LEU A 185
ALA A  32
VAL A  16
LEU A  94
 None
 1.31A 3wsjA-3mnfA:
undetectable		 3wsjA-3mnfA:
20.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
VAL A  32
LEU A  76
ILE A  84
 None
 0.81A 3wsjA-3mwsA:
13.1		 3wsjA-3mwsA:
35.34
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.
3mzl PROTEIN TRANSPORT
PROTEIN SEC31

(Saccharomyces
cerevisiae) 		PF12931
(Sec16_C) 		5 ARG B 571
LEU B 588
ALA B 599
LEU B 615
ILE B 596
 None
 1.44A 3wsjA-3mzlB:
undetectable		 3wsjA-3mzlB:
18.40
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.
3p4g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 5 LEU A  77
ASP A 122
VAL A 115
LEU A 134
ILE A  96
 None
CA  A 404 ( 2.4A)
None
None
None
 1.02A 3wsjA-3p4gA:
undetectable		 3wsjA-3p4gA:
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.
3p8k HYDROLASE,
CARBON-NITROGEN
FAMILY

(Staphylococcus
aureus) 		PF00795
(CN_hydrolase) 		5 LEU A  70
ALA A  80
VAL A  98
LEU A 104
ILE A  67
 None
 1.45A 3wsjA-3p8kA:
undetectable		 3wsjA-3p8kA:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
ALA A  35
VAL A  39
LEU A  83
 None
3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
None
None
 0.50A 3wsjA-3slzA:
10.3		 3wsjA-3slzA:
27.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
ASP A  25
ALA A  28
ASP A  29
VAL A  32
LEU A  76
 SO4  A 101 (-3.8A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
None
 1.10A 3wsjA-3t3cA:
12.6		 3wsjA-3t3cA:
34.19
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
ASP A  29
VAL A  32
LEU A  76
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
None
 0.91A 3wsjA-3t3cA:
12.6		 3wsjA-3t3cA:
34.19
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.
3tma METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 LEU A 189
ALA A 259
VAL A 294
LEU A 332
ILE A 257
 None
 1.01A 3wsjA-3tmaA:
undetectable		 3wsjA-3tmaA:
15.82
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) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
LEU A  76
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
None
017  A 201 (-4.7A)
 0.71A 3wsjA-3ttpA:
12.8		 3wsjA-3ttpA:
34.48
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.
3tzt GLYCOSYL TRANSFERASE
FAMILY 8

(Anaerococcus
prevotii) 		PF01501
(Glyco_transf_8) 		5 LEU A  94
ALA A   4
ASP A   3
LEU A 160
ILE A 101
 None
EDO  A 302 (-4.5A)
EDO  A 302 (-4.0A)
None
None
 1.41A 3wsjA-3tztA:
undetectable		 3wsjA-3tztA:
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.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
 0.50A 3wsjA-3u7sA:
12.9		 3wsjA-3u7sA:
29.57
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.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
 1.41A 3wsjA-3u7sA:
12.9		 3wsjA-3u7sA:
29.57
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.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ALA A  28
ASP A  29
LEU A  76
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
None
 0.60A 3wsjA-3u7sA:
12.9		 3wsjA-3u7sA:
29.57
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.
3w21 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Burkholderia
ambifaria) 		no annotation 5 ARG A  11
LEU A   9
ALA A  26
LEU A 237
ILE A  38
 None
 1.06A 3wsjA-3w21A:
undetectable		 3wsjA-3w21A:
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.
3wj7 PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF01370
(Epimerase) 		5 ARG A 322
ALA A 328
ASP A 186
LEU A 197
ILE A 329
 None
 1.46A 3wsjA-3wj7A:
undetectable		 3wsjA-3wj7A:
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.
4dbe OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Sulfolobus
solfataricus) 		PF00215
(OMPdecase) 		5 LEU A 146
ALA A 181
ASP A 182
VAL A 141
ILE A 149
 None
 1.24A 3wsjA-4dbeA:
undetectable		 3wsjA-4dbeA:
18.26
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.
4dia 2-PYRONE-4,6-DICARBA
XYLATE HYDROLASE

(Sphingomonas
paucimobilis) 		PF04909
(Amidohydro_2) 		5 LEU A 289
ALA A  30
ASP A  29
LEU A 282
ILE A 244
 None
 1.39A 3wsjA-4diaA:
undetectable		 3wsjA-4diaA:
17.97
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.
4dkw LARGE TERMINASE
PROTEIN

(Salmonella
virus P22) 		PF17289
(Terminase_6C) 		5 LEU A 333
ALA A 463
ASP A 321
VAL A 347
ILE A 331
 None
None
MG  A 501 (-2.6A)
None
None
 0.96A 3wsjA-4dkwA:
undetectable		 3wsjA-4dkwA:
21.96
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.
4dnh UNCHARACTERIZED
PROTEIN

(Sinorhizobium
meliloti) 		PF06187
(DUF993) 		5 LEU A 105
ALA A 114
ASP A 113
VAL A  79
ILE A 116
 None
 1.43A 3wsjA-4dnhA:
undetectable		 3wsjA-4dnhA:
15.71
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.
4dte SERPIN PEPTIDASE
INHIBITOR, CLADE E
(NEXIN, PLASMINOGEN
ACTIVATOR INHIBITOR
TYPE 1), MEMBER 1

(Danio rerio) 		PF00079
(Serpin) 		5 LEU A 287
ALA A  41
VAL A 309
LEU A 155
ILE A 290
 None
 1.37A 3wsjA-4dteA:
undetectable		 3wsjA-4dteA:
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.
4g4e ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Escherichia
coli) 		PF00227
(Proteasome) 		5 LEU A 142
ALA A 151
VAL A   6
LEU A 119
ILE A 147
 None
 1.46A 3wsjA-4g4eA:
undetectable		 3wsjA-4g4eA:
19.68
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.
4h9p DEATH
DOMAIN-ASSOCIATED
PROTEIN 6

(Homo sapiens) 		no annotation 5 LEU C 274
ALA C 316
ASP C 315
VAL C 267
ILE C 271
 None
 1.29A 3wsjA-4h9pC:
undetectable		 3wsjA-4h9pC:
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.
4jiw PUTATIVE
UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		PF05488
(PAAR_motif) 		5 ARG D  56
LEU D  43
ALA D  37
LEU D  34
ILE D  22
 None
 1.41A 3wsjA-4jiwD:
undetectable		 3wsjA-4jiwD:
27.59
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.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ARG A3723
LEU A3760
ALA A3714
ASP A3712
ILE A3781
 None
 1.41A 3wsjA-4kc5A:
undetectable		 3wsjA-4kc5A:
8.39
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.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A3760
ALA A3714
ASP A3712
LEU A3901
ILE A3781
 None
 1.31A 3wsjA-4kc5A:
undetectable		 3wsjA-4kc5A:
8.39
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.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		5 ARG A 248
LEU A 279
ALA A 265
ASP A 266
LEU A 156
 None
 1.44A 3wsjA-4lglA:
undetectable		 3wsjA-4lglA:
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) 		5 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.3A)
 0.55A 3wsjA-4njvA:
12.8		 3wsjA-4njvA:
33.06
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
ALA A  28
ASP A  29
VAL A  32
LEU A  76
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
None
RIT  A 500 (-4.3A)
 0.75A 3wsjA-4njvA:
12.8		 3wsjA-4njvA:
33.06
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.
4o6r ALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 LEU A 414
ALA A 403
VAL A 288
LEU A 391
ILE A 255
 None
 1.12A 3wsjA-4o6rA:
undetectable		 3wsjA-4o6rA:
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.
4ro1 DIS3-LIKE
EXONUCLEASE 2

(Schizosaccharomyces
pombe) 		no annotation 5 ARG B 562
LEU B 460
ALA B 481
ASP B 482
LEU B 518
 None
 1.35A 3wsjA-4ro1B:
undetectable		 3wsjA-4ro1B:
9.42
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.
4urj PROTEIN FAM83A

(Homo sapiens) 		PF07894
(DUF1669) 		5 LEU A 215
ASP A 177
VAL A 189
LEU A 162
ILE A 218
 None
 1.04A 3wsjA-4urjA:
undetectable		 3wsjA-4urjA:
21.16
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.
4wz9 AGAP004809-PA

(Anopheles
gambiae) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 LEU A 856
ALA A 844
ASP A 804
LEU A 806
ILE A 845
 None
 1.14A 3wsjA-4wz9A:
undetectable		 3wsjA-4wz9A:
8.82
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.
4x9e DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE

(Escherichia
coli) 		PF01966
(HD) 		5 ARG A  87
ALA A 266
ASP A 269
VAL A  76
ILE A  80
 None
 1.20A 3wsjA-4x9eA:
undetectable		 3wsjA-4x9eA:
13.48
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 ARG A  10
LEU A  30
ASP A  32
ALA A  35
ASP A  36
VAL A  39
LEU A  91
ILE A 100
 None
None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
None
None
4B1  A 201 (-4.8A)
 0.48A 3wsjA-4ydfA:
23.4		 3wsjA-4ydfA:
100.00
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
ALA A  35
ASP A  36
VAL A  39
LEU A  91
TRP A  98
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
None
None
None
4B1  A 201 (-4.8A)
 0.29A 3wsjA-4ydfA:
23.4		 3wsjA-4ydfA:
100.00
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.
5cwa ANTHRANILATE
SYNTHASE COMPONENT 1

(Mycobacterium
tuberculosis) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 LEU A 177
ALA A  32
ASP A  33
VAL A 168
ILE A 175
 None
 0.96A 3wsjA-5cwaA:
undetectable		 3wsjA-5cwaA:
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.
5cwu NUCLEOPORIN NUP188

(Chaetomium
thermophilum) 		no annotation 5 LEU A1550
ALA A1557
VAL A1519
LEU A1515
ILE A1554
 None
 1.45A 3wsjA-5cwuA:
undetectable		 3wsjA-5cwuA:
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.
5dn8 GTPASE DER

(Coxiella
burnetii) 		PF01926
(MMR_HSR1)
PF14714
(KH_dom-like) 		5 ARG A 388
LEU A 385
ALA A 383
LEU A 411
ILE A 393
 None
 1.43A 3wsjA-5dn8A:
undetectable		 3wsjA-5dn8A:
14.71
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		5 LEU B 688
ALA B 674
ASP B 676
VAL B 647
ILE B 649
 None
 1.46A 3wsjA-5gztB:
undetectable		 3wsjA-5gztB:
7.22
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.
5ja1 ENTEROBACTIN
SYNTHASE COMPONENT F

(Escherichia
coli) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 ARG A 151
ALA A  55
ASP A  56
LEU A 140
ILE A 149
 None
 1.11A 3wsjA-5ja1A:
undetectable		 3wsjA-5ja1A:
7.09
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.
5jqn ALIPHATIC AMIDASE

(Nesterenkonia
sp. AN1) 		PF00795
(CN_hydrolase) 		5 LEU A  36
ALA A 195
VAL A 234
LEU A 222
ILE A   3
 None
 1.34A 3wsjA-5jqnA:
undetectable		 3wsjA-5jqnA:
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.
5jx5 GLUCANASE

(Orpinomyces sp.
Y102) 		PF01341
(Glyco_hydro_6) 		5 LEU A 347
ALA A 291
ASP A 290
LEU A 272
ILE A 308
 None
None
NH4  A 516 ( 2.7A)
None
None
 1.39A 3wsjA-5jx5A:
undetectable		 3wsjA-5jx5A:
15.94
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.
5nb3 PHYCOERYTHRIN BETA
SUBUNIT,PHYCOERYTHRI
N BETA SUBUNIT

(Phormidium
rubidum) 		PF00502
(Phycobilisome) 		5 LEU M 108
ASP M 104
ALA M 100
ASP M  99
VAL M  91
 None
 1.45A 3wsjA-5nb3M:
undetectable		 3wsjA-5nb3M:
19.05
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.
5t1q N-ACETYLMURAMOYL-L-A
LANINE AMIDASE
DOMAIN-CONTAINING
PROTEIN
SAOUHSC_02979

(Staphylococcus
aureus) 		PF01832
(Glucosaminidase)
PF05257
(CHAP) 		5 LEU A 468
ALA A 331
ASP A 330
LEU A 368
ILE A 346
 None
 1.47A 3wsjA-5t1qA:
undetectable		 3wsjA-5t1qA:
17.75
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  84
 None
 0.63A 3wsjA-5t2zA:
12.3		 3wsjA-5t2zA:
33.62
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
ASP A  29
VAL A  32
LEU A  76
ILE A  84
 None
 0.85A 3wsjA-5t2zA:
12.3		 3wsjA-5t2zA:
33.62
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.
5u30 CRISPR-ASSOCIATED
ENDONUCLEASE C2C1

(Alicyclobacillus
acidoterrestris) 		no annotation 5 ASP A1080
ALA A 907
ASP A 902
VAL A1100
ILE A1085
 None
 1.46A 3wsjA-5u30A:
undetectable		 3wsjA-5u30A:
6.72
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.
5w57 PERIPLASMIC SOLUTE
BINDING PROTEIN

(Paracoccus
denitrificans) 		PF01297
(ZnuA) 		5 LEU A 272
ALA A 268
VAL A 201
LEU A 219
ILE A 250
 None
 1.31A 3wsjA-5w57A:
undetectable		 3wsjA-5w57A:
17.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w8p HOMOSERINE
O-ACETYLTRANSFERASE

(Mycobacteroides
abscessus) 		PF00561
(Abhydrolase_1) 		5 ARG A 238
ASP A 327
ALA A 184
VAL A 351
ILE A 324
 None
 1.28A 3wsjA-5w8pA:
undetectable		 3wsjA-5w8pA:
17.33
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.
5wab PUTATIVE
BETA-GLUCOSIDASE

(Bifidobacterium
adolescentis) 		no annotation 5 LEU A 152
ASP A 232
VAL A 229
LEU A 247
ILE A 196
 None
GOL  A 801 (-3.1A)
None
None
None
 1.23A 3wsjA-5wabA:
undetectable		 3wsjA-5wabA:
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.
5xi0 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Aliivibrio
fischeri) 		no annotation 5 LEU A 124
ASP A 133
VAL A 213
LEU A 214
ILE A 125
 None
 1.42A 3wsjA-5xi0A:
undetectable		 3wsjA-5xi0A:
24.60
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.
6bka NITRONATE
MONOOXYGENASE

(Cyberlindnera
mrakii) 		no annotation 5 LEU A 184
ASP A 185
ASP A 163
VAL A 144
ILE A 166
 None
 1.46A 3wsjA-6bkaA:
undetectable		 3wsjA-6bkaA:
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.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 ARG A  13
LEU A  28
ASP A  30
ALA A  33
ASP A  34
 None
None
3TL  A 201 (-3.5A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
 0.58A 3wsjA-6fivA:
12.0		 3wsjA-6fivA:
26.45
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  84
 None
None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
 0.87A 3wsjA-6upjA:
12.1		 3wsjA-6upjA:
32.79
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.
1cem CELLULASE CELA
(1,4-BETA-D-GLUCAN-G
LUCANOHYDROLASE)

(Ruminiclostridium
thermocellum) 		PF01270
(Glyco_hydro_8) 		5 LEU A 183
ASP A 154
ALA A 153
VAL A  82
ILE A 157
 None
 1.14A 3wsjB-1cemA:
0.0		 3wsjB-1cemA:
15.71
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.
1cz2 NONSPECIFIC LIPID
TRANSFER PROTEIN

(Triticum
aestivum) 		PF00234
(Tryp_alpha_amyl) 		4 LEU A  83
ALA A  66
VAL A  31
ILE A  81
 None
E2P  A  91 ( 3.4A)
E2P  A  91 ( 3.0A)
E2P  A  91 (-4.2A)
 0.80A 3wsjB-1cz2A:
undetectable		 3wsjB-1cz2A:
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.
1dov ALPHA-CATENIN

(Mus musculus) 		PF01044
(Vinculin) 		4 LEU A 214
ALA A 191
VAL A 147
ILE A 255
 None
 0.87A 3wsjB-1dovA:
undetectable		 3wsjB-1dovA:
21.35
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.
1ef1 MOESIN

(Homo sapiens) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		4 LEU A 104
ASP A  13
ALA A  14
VAL A  33
 None
 0.95A 3wsjB-1ef1A:
0.4		 3wsjB-1ef1A:
16.27
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.
1gc7 RADIXIN

(Mus musculus) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		4 LEU A 104
ASP A  13
ALA A  14
VAL A  33
 LEU  A 104 ( 0.6A)
ASP  A  13 ( 0.5A)
ALA  A  14 ( 0.0A)
VAL  A  33 ( 0.6A)
 0.94A 3wsjB-1gc7A:
0.0		 3wsjB-1gc7A:
15.82
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.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 LEU A  23
ASP A  25
ALA A  28
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-3.6A)
 0.31A 3wsjB-1hvcA:
9.0		 3wsjB-1hvcA:
23.15
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.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 LEU A  23
ASP A  25
ALA A  28
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-3.8A)
 0.31A 3wsjB-1hvcA:
9.0		 3wsjB-1hvcA:
23.15
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.
1jfi TRANSCRIPTION
REGULATOR NC2 BETA
CHAIN

(Homo sapiens) 		PF00808
(CBFD_NFYB_HMF) 		4 LEU B 149
ALA B 174
VAL B 187
ILE B 150
 None
 0.92A 3wsjB-1jfiB:
undetectable		 3wsjB-1jfiB:
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.
1m46 IQ4 MOTIF FROM
MYO2P, A CLASS V
MYOSIN
MYOSIN LIGHT CHAIN

(Saccharomyces
cerevisiae) 		PF13499
(EF-hand_7)
no annotation 		4 LEU B 856
ALA A  89
VAL A 101
ILE B 859
 None
 0.92A 3wsjB-1m46B:
undetectable		 3wsjB-1m46B:
12.07
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.
1mqt POLYPROTEIN CAPSID
PROTEIN

(Enterovirus B) 		PF00073
(Rhv) 		4 LEU C 104
ALA C  47
VAL C  40
ILE C 103
 None
 0.91A 3wsjB-1mqtC:
undetectable		 3wsjB-1mqtC:
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.
1nhy ELONGATION FACTOR
1-GAMMA 1

(Saccharomyces
cerevisiae) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ARG A  98
LEU A 102
ASP A 106
ILE A 139
 None
 0.86A 3wsjB-1nhyA:
undetectable		 3wsjB-1nhyA:
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.
1odt CEPHALOSPORIN C
DEACETYLASE

(Bacillus
subtilis) 		PF05448
(AXE1) 		4 LEU C 207
ALA C 189
VAL C 261
ILE C 250
 None
 0.94A 3wsjB-1odtC:
undetectable		 3wsjB-1odtC:
16.07
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.
1ppo PROTEASE OMEGA

(Carica papaya) 		PF00112
(Peptidase_C1) 		4 LEU A 122
ALA A 163
VAL A  13
ILE A 125
 None
 0.96A 3wsjB-1ppoA:
undetectable		 3wsjB-1ppoA:
21.60
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.
1q6w MONOAMINE OXIDASE
REGULATORY PROTEIN,
PUTATIVE

(Archaeoglobus
fulgidus) 		PF01575
(MaoC_dehydratas) 		4 LEU A  84
ASP A  80
VAL A 132
ILE A  83
 None
 0.75A 3wsjB-1q6wA:
undetectable		 3wsjB-1q6wA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r6m RIBONUCLEASE PH

(Pseudomonas
aeruginosa) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 ARG A 100
LEU A  60
ALA A 134
VAL A  38
ILE A 115
 None
 1.42A 3wsjB-1r6mA:
undetectable		 3wsjB-1r6mA:
19.76
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.
1rpx PROTEIN
(RIBULOSE-PHOSPHATE
3-EPIMERASE)

(Solanum
tuberosum) 		PF00834
(Ribul_P_3_epim) 		4 LEU A 169
ALA A 201
VAL A 188
ILE A 166
 None
 0.95A 3wsjB-1rpxA:
undetectable		 3wsjB-1rpxA:
20.50
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
VAL A  47
ILE A  84
 None
 0.72A 3wsjB-1sivA:
12.6		 3wsjB-1sivA:
36.97
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.
1sr4 CYTOLETHAL
DISTENDING TOXIN
PROTEIN B

([Haemophilus]
ducreyi) 		PF03372
(Exo_endo_phos) 		4 ARG B 125
ALA B 121
TRP B  93
ILE B 106
 None
 0.93A 3wsjB-1sr4B:
undetectable		 3wsjB-1sr4B:
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.
1sxj ACTIVATOR 1 41 KDA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF08542
(Rep_fac_C) 		4 ARG D 154
LEU D 180
ALA D 142
ILE D 176
 AGS  C 803 (-4.6A)
None
None
None
 0.93A 3wsjB-1sxjD:
undetectable		 3wsjB-1sxjD:
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.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis) 		PF00128
(Alpha-amylase) 		5 ARG A 306
LEU A 329
ALA A 334
VAL A 372
ILE A 335
 None
 1.32A 3wsjB-1ua7A:
undetectable		 3wsjB-1ua7A:
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.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis) 		PF00128
(Alpha-amylase) 		5 LEU A 329
ASP A 332
ALA A 334
VAL A 372
ILE A 335
 None
 1.20A 3wsjB-1ua7A:
undetectable		 3wsjB-1ua7A:
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.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis) 		PF00128
(Alpha-amylase) 		4 LEU A 329
ASP A 332
VAL A 421
ILE A 335
 None
 0.95A 3wsjB-1ua7A:
undetectable		 3wsjB-1ua7A:
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.
1wst MULTIPLE SUBSTRATE
AMINOTRANSFERASE

(Thermococcus
profundus) 		PF00155
(Aminotran_1_2) 		4 LEU A 218
ALA A 268
VAL A 112
ILE A 248
 None
 0.83A 3wsjB-1wstA:
undetectable		 3wsjB-1wstA:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x0l HOMOISOCITRATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00180
(Iso_dh) 		4 LEU A 183
ASP A 200
VAL A 196
ILE A 168
 None
 0.89A 3wsjB-1x0lA:
undetectable		 3wsjB-1x0lA:
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.
1xhc NADH OXIDASE
/NITRITE REDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2) 		4 LEU A 150
ALA A 138
VAL A 206
ILE A 140
 None
 0.93A 3wsjB-1xhcA:
undetectable		 3wsjB-1xhcA:
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.
2ahw PUTATIVE ENZYME YDIF

(Escherichia
coli) 		PF01144
(CoA_trans) 		4 LEU A 105
ALA A  91
VAL A  33
ILE A 102
 None
 0.96A 3wsjB-2ahwA:
undetectable		 3wsjB-2ahwA:
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.
2b5e PROTEIN
DISULFIDE-ISOMERASE

(Saccharomyces
cerevisiae) 		PF00085
(Thioredoxin)
PF13848
(Thioredoxin_6) 		4 LEU A  96
ALA A  54
VAL A  34
ILE A  88
 None
 0.83A 3wsjB-2b5eA:
undetectable		 3wsjB-2b5eA:
12.75
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.
2btm PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Geobacillus
stearothermophilus) 		PF00121
(TIM) 		4 LEU A  92
ALA A 149
VAL A 193
ILE A 124
 None
 0.87A 3wsjB-2btmA:
undetectable		 3wsjB-2btmA:
21.72
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.
2dv6 NITRITE REDUCTASE

(Hyphomicrobium
denitrificans) 		PF07732
(Cu-oxidase_3) 		5 ARG A 198
LEU A 278
ALA A 398
VAL A 391
ILE A 255
 None
 1.42A 3wsjB-2dv6A:
undetectable		 3wsjB-2dv6A:
15.74
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  89
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-4.2A)
 0.55A 3wsjB-2fmbA:
12.5		 3wsjB-2fmbA:
31.93
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 ARG A   8
LEU A  23
ASP A  25
VAL A  60
ILE A  89
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
None
LP1  A 201 (-4.2A)
 1.19A 3wsjB-2fmbA:
12.5		 3wsjB-2fmbA:
31.93
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.
2gf2 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Homo sapiens) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 LEU A 129
ALA A  96
VAL A  86
ILE A  99
 None
 0.94A 3wsjB-2gf2A:
undetectable		 3wsjB-2gf2A:
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.
2gmh ELECTRON TRANSFER
FLAVOPROTEIN-UBIQUIN
ONE OXIDOREDUCTASE

(Sus scrofa) 		PF05187
(ETF_QO)
PF13450
(NAD_binding_8) 		4 LEU A 350
ALA A  50
VAL A 159
ILE A 210
 None
 0.65A 3wsjB-2gmhA:
undetectable		 3wsjB-2gmhA:
11.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hyj PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		4 LEU A  30
ALA A  21
VAL A  49
ILE A  33
 None
 0.66A 3wsjB-2hyjA:
undetectable		 3wsjB-2hyjA:
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.
2iik 3-KETOACYL-COA
THIOLASE,
PEROXISOMAL

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 LEU A 376
ASP A 246
ALA A  47
VAL A  68
 None
 0.95A 3wsjB-2iikA:
undetectable		 3wsjB-2iikA:
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.
2ijc HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF02627
(CMD) 		4 ARG A  84
LEU A  34
ALA A 126
ILE A  35
 None
 0.89A 3wsjB-2ijcA:
undetectable		 3wsjB-2ijcA:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jah CLAVULANIC ACID
DEHYDROGENASE

(Streptomyces
clavuligerus) 		PF00106
(adh_short) 		4 LEU A 215
ALA A 223
VAL A 138
ILE A 220
 None
 0.81A 3wsjB-2jahA:
undetectable		 3wsjB-2jahA:
19.83
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.
2p2s PUTATIVE
OXIDOREDUCTASE

(Pectobacterium
atrosepticum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 LEU A 250
ALA A 135
VAL A 292
ILE A 261
 None
 0.81A 3wsjB-2p2sA:
undetectable		 3wsjB-2p2sA:
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.
2pfv EXOCYST COMPLEX
COMPONENT EXO70

(Saccharomyces
cerevisiae) 		PF03081
(Exo70) 		4 ARG A 206
LEU A 153
ALA A 181
ILE A 152
 None
 0.85A 3wsjB-2pfvA:
undetectable		 3wsjB-2pfvA:
11.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r5s UNCHARACTERIZED
PROTEIN VP0806

(Vibrio
parahaemolyticus) 		PF14559
(TPR_19)
PF14561
(TPR_20) 		5 ARG A 276
LEU A 262
ALA A 235
VAL A 229
ILE A 261
 None
None
None
EDO  A   3 (-3.6A)
None
 1.23A 3wsjB-2r5sA:
undetectable		 3wsjB-2r5sA:
22.09
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
VAL A  47
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 4.9A)
AB1  A 501 ( 4.2A)
 0.73A 3wsjB-2rkfA:
13.0		 3wsjB-2rkfA:
34.19
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 ARG A   8
LEU A  23
ASP A  25
VAL A  56
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
None
AB1  A 501 ( 4.2A)
 1.43A 3wsjB-2rkfA:
13.0		 3wsjB-2rkfA:
34.19
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.
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
 0.84A 3wsjB-2rspA:
13.2		 3wsjB-2rspA:
29.23
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.
2w4f PROTEIN LAP4

(Homo sapiens) 		PF00595
(PDZ) 		4 LEU A 732
ALA A 772
VAL A 811
ILE A 731
 None
 0.94A 3wsjB-2w4fA:
undetectable		 3wsjB-2w4fA:
20.80
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.
2w4g MYOSIN HEAVY CHAIN,
SKELETAL MUSCLE,
ADULT
MYOSIN LIGHT CHAIN
3, SKELETAL MUSCLE
ISOFORM

(Gallus gallus) 		PF00063
(Myosin_head)
PF02736
(Myosin_N)
no annotation 		5 ARG M 779
LEU M 783
ALA M 729
VAL C 123
ILE M 787
 None
 1.24A 3wsjB-2w4gM:
undetectable		 3wsjB-2w4gM:
7.74
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.
2was 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Saccharomyces
cerevisiae) 		PF01648
(ACPS) 		4 LEU B1834
ALA B1855
VAL B1864
ILE B1837
 None
 0.86A 3wsjB-2wasB:
undetectable		 3wsjB-2wasB:
20.15
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.
2xua 3-OXOADIPATE
ENOL-LACTONASE

(Paraburkholderia
xenovorans) 		PF12146
(Hydrolase_4) 		4 ARG A  61
LEU A  78
ALA A 196
ILE A  75
 None
 0.88A 3wsjB-2xuaA:
undetectable		 3wsjB-2xuaA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y7c TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN

(Escherichia
coli) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		4 LEU B 155
ALA B 307
VAL B 171
ILE B 159
 None
 0.96A 3wsjB-2y7cB:
undetectable		 3wsjB-2y7cB:
11.70
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.
2y93 CIS-2,3-DIHYDROBIPHE
NYL-2,3-DIOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF00106
(adh_short) 		4 LEU A 130
ALA A  70
VAL A  54
ILE A  80
 None
 0.92A 3wsjB-2y93A:
undetectable		 3wsjB-2y93A:
16.12
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.
2yij PHOSPHOLIPASE
A1-IIGAMMA

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		4 LEU A 289
ALA A 246
VAL A 271
ILE A 292
 None
 0.95A 3wsjB-2yijA:
undetectable		 3wsjB-2yijA:
15.23
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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN

(Prochlorococcus
marinus) 		PF00142
(Fer4_NifH) 		4 LEU A 172
ALA A 230
VAL A 261
ILE A 207
 None
 0.90A 3wsjB-2ynmA:
undetectable		 3wsjB-2ynmA:
17.54
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.
2yv2 SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Aeropyrum
pernix) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		4 LEU A 192
ALA A 133
VAL A  16
ILE A 126
 None
 0.88A 3wsjB-2yv2A:
undetectable		 3wsjB-2yv2A:
18.24
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.
2zxh TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Aquifex
aeolicus) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		4 LEU A  67
ALA A  25
VAL A 153
ILE A 392
 None
 0.95A 3wsjB-2zxhA:
undetectable		 3wsjB-2zxhA:
11.41
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.
3aat ASPARTATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		4 LEU A 272
ALA A 115
VAL A 133
ILE A 251
 None
 0.81A 3wsjB-3aatA:
undetectable		 3wsjB-3aatA:
17.02
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.
3ab1 FERREDOXIN--NADP
REDUCTASE

(Chlorobaculum
tepidum) 		PF07992
(Pyr_redox_2) 		4 LEU A 256
ALA A 175
VAL A 208
ILE A 168
 None
 0.97A 3wsjB-3ab1A:
undetectable		 3wsjB-3ab1A:
15.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ai7 XYLULOSE-5-PHOSPHATE
/FRUCTOSE-6-PHOSPHAT
E PHOSPHOKETOLASE

(Bifidobacterium
longum) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		4 LEU A 644
ALA A 708
VAL A 747
ILE A 655
 None
 0.94A 3wsjB-3ai7A:
undetectable		 3wsjB-3ai7A:
9.30
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		4 LEU A 705
ALA A 726
VAL A 797
ILE A 724
 None
 0.89A 3wsjB-3ak5A:
undetectable		 3wsjB-3ak5A:
7.71
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.
3b4w ALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		4 LEU A 393
ALA A 261
VAL A 267
ILE A 294
 None
 0.85A 3wsjB-3b4wA:
undetectable		 3wsjB-3b4wA:
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.
3cdi POLYNUCLEOTIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		4 LEU A 117
ALA A 153
VAL A 143
ILE A 114
 None
 0.89A 3wsjB-3cdiA:
undetectable		 3wsjB-3cdiA:
11.31
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.
3ce9 GLYCEROL
DEHYDROGENASE

(Clostridium
acetobutylicum) 		PF13685
(Fe-ADH_2) 		4 LEU A 256
ALA A 273
VAL A 280
ILE A 252
 None
 0.90A 3wsjB-3ce9A:
undetectable		 3wsjB-3ce9A:
14.69
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.
3cv3 GLUCURONOSYLTRANSFER
ASE GUMK

(Xanthomonas
campestris) 		no annotation 4 ARG A  47
LEU A  18
ALA A 142
ILE A 128
 None
 0.79A 3wsjB-3cv3A:
undetectable		 3wsjB-3cv3A:
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.
3ddn D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00389
(2-Hacid_dh)
PF01842
(ACT)
PF02826
(2-Hacid_dh_C) 		4 LEU A  91
ALA A  71
VAL A  18
ILE A  69
 None
 0.89A 3wsjB-3ddnA:
undetectable		 3wsjB-3ddnA:
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.
3ddn D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00389
(2-Hacid_dh)
PF01842
(ACT)
PF02826
(2-Hacid_dh_C) 		4 LEU A 213
ALA A 218
VAL A 226
ILE A 214
 None
 0.87A 3wsjB-3ddnA:
undetectable		 3wsjB-3ddnA:
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.
3ddn D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00389
(2-Hacid_dh)
PF01842
(ACT)
PF02826
(2-Hacid_dh_C) 		4 LEU A 213
ALA A 218
VAL A 251
ILE A 214
 None
 0.91A 3wsjB-3ddnA:
undetectable		 3wsjB-3ddnA:
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.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 LEU A 427
ALA A 370
VAL A 313
ILE A 341
 None
 0.96A 3wsjB-3e0lA:
undetectable		 3wsjB-3e0lA:
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.
3ek9 SPRY
DOMAIN-CONTAINING
SOCS BOX PROTEIN 2

(Mus musculus) 		PF00622
(SPRY) 		4 LEU A 167
VAL A  78
TRP A  95
ILE A  93
 None
 0.90A 3wsjB-3ek9A:
undetectable		 3wsjB-3ek9A:
19.02
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.
3emu LEUCINE RICH REPEAT
AND PHOSPHATASE
DOMAIN CONTAINING
PROTEIN

(Entamoeba
histolytica) 		PF00782
(DSPc) 		4 LEU A 343
ALA A 404
VAL A 427
ILE A 395
 None
 0.89A 3wsjB-3emuA:
undetectable		 3wsjB-3emuA:
17.83
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.
3f7s UNCHARACTERIZED
NTF2-LIKE PROTEIN

(Pseudomonas
putida) 		PF13474
(SnoaL_3) 		4 LEU A  12
ALA A  86
TRP A 117
ILE A   9
 None
 0.96A 3wsjB-3f7sA:
undetectable		 3wsjB-3f7sA:
19.18
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.
3fiu NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Francisella
tularensis) 		PF02540
(NAD_synthase) 		4 ARG A 137
ALA A  45
VAL A 183
ILE A  34
 None
 0.90A 3wsjB-3fiuA:
undetectable		 3wsjB-3fiuA:
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.
3fs1 HEPATOCYTE NUCLEAR
FACTOR 4-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 LEU A 263
ALA A 223
VAL A 178
ILE A 259
 None
MYR  A 500 (-3.5A)
None
None
 0.87A 3wsjB-3fs1A:
undetectable		 3wsjB-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.
3gry DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		4 LEU A  71
ALA A  49
VAL A  33
ILE A  78
 None
 0.94A 3wsjB-3gryA:
undetectable		 3wsjB-3gryA:
14.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		4 ARG A1680
ALA A1222
VAL A1287
ILE A1386
 None
 0.85A 3wsjB-3hmjA:
undetectable		 3wsjB-3hmjA:
5.31
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		4 LEU A1834
ALA A1855
VAL A1864
ILE A1837
 None
 0.78A 3wsjB-3hmjA:
undetectable		 3wsjB-3hmjA:
5.31
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.
3hn7 UDP-N-ACETYLMURAMATE
-L-ALANINE LIGASE

(Psychrobacter
arcticus) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 LEU A 125
ALA A 331
VAL A 303
ILE A 124
 None
 0.68A 3wsjB-3hn7A:
undetectable		 3wsjB-3hn7A:
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.
3hvu HYPOXANTHINE
PHOSPHORIBOSYLTRANSF
ERASE

(Bacillus
anthracis) 		PF00156
(Pribosyltran) 		4 LEU A  37
ASP A  63
VAL A  67
ILE A  39
 None
 0.81A 3wsjB-3hvuA:
undetectable		 3wsjB-3hvuA:
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.
3icf SERINE/THREONINE-PRO
TEIN PHOSPHATASE T

(Saccharomyces
cerevisiae) 		PF00149
(Metallophos)
PF08321
(PPP5) 		4 ARG A 308
LEU A 347
ALA A 387
ILE A 376
 None
 0.97A 3wsjB-3icfA:
undetectable		 3wsjB-3icfA:
15.26
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.
3il3 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Haemophilus
influenzae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 LEU A   6
ALA A  62
VAL A  94
ILE A 165
 None
 0.95A 3wsjB-3il3A:
undetectable		 3wsjB-3il3A:
18.75
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.
3ipw HYDROLASE TATD
FAMILY PROTEIN

(Entamoeba
histolytica) 		PF01026
(TatD_DNase) 		4 LEU A  43
ASP A   7
ALA A  10
ILE A  46
 None
 0.96A 3wsjB-3ipwA:
undetectable		 3wsjB-3ipwA:
18.75
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.
3jby V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Danio rerio) 		PF12940
(RAG1) 		5 LEU A 816
ASP A 819
ALA A 876
VAL A 868
ILE A 820
 None
 1.47A 3wsjB-3jbyA:
undetectable		 3wsjB-3jbyA:
10.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jq1 SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 ARG A 148
LEU A 152
ALA A 162
ILE A 185
 None
 0.95A 3wsjB-3jq1A:
undetectable		 3wsjB-3jq1A:
12.53
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.
3k6j PROTEIN F01G10.3,
CONFIRMED BY
TRANSCRIPT EVIDENCE

(Caenorhabditis
elegans) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 LEU A 213
ALA A 200
VAL A 120
ILE A 186
 None
 0.77A 3wsjB-3k6jA:
undetectable		 3wsjB-3k6jA:
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.
3leq UNCHARACTERIZED
PROTEIN CVNB5

(Streptomyces
avermitilis) 		PF03259
(Robl_LC7) 		4 LEU A  80
ALA A 113
VAL A  23
ILE A  89
 None
 0.84A 3wsjB-3leqA:
undetectable		 3wsjB-3leqA:
22.90
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.
3lzx FERREDOXIN--NADP
REDUCTASE 2

(Bacillus
subtilis) 		PF07992
(Pyr_redox_2) 		4 LEU A 252
ALA A 119
VAL A 115
ILE A 255
 None
FAD  A1000 (-3.3A)
None
None
 0.77A 3wsjB-3lzxA:
undetectable		 3wsjB-3lzxA:
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.
3m16 TRANSALDOLASE

(Oleispira
antarctica) 		PF00923
(TAL_FSA) 		4 LEU A 316
ALA A  85
VAL A  92
ILE A  43
 None
 0.94A 3wsjB-3m16A:
undetectable		 3wsjB-3m16A:
17.65
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.
3mwb PREPHENATE
DEHYDRATASE

(Paenarthrobacter
aurescens) 		PF00800
(PDT)
PF01842
(ACT) 		4 LEU A  99
ALA A 150
VAL A 129
ILE A 102
 None
 0.95A 3wsjB-3mwbA:
undetectable		 3wsjB-3mwbA:
15.24
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) 		5 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  84
 None
 0.52A 3wsjB-3mwsA:
13.1		 3wsjB-3mwsA:
35.34
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) 		5 ARG A   8
LEU A  23
ASP A  25
VAL A  56
ILE A  84
 None
 1.32A 3wsjB-3mwsA:
13.1		 3wsjB-3mwsA:
35.34
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.
3nd0 SLL0855 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00654
(Voltage_CLC) 		4 ARG A 170
LEU A 112
ALA A 177
ILE A 108
 None
 0.85A 3wsjB-3nd0A:
undetectable		 3wsjB-3nd0A:
12.93
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.
3nfb BETA-PEPTIDYL
AMINOPEPTIDASE

(Sphingosinicella
xenopeptidilytica) 		PF03576
(Peptidase_S58) 		4 LEU A 156
ALA A  96
VAL A 254
ILE A  54
 None
 0.93A 3wsjB-3nfbA:
undetectable		 3wsjB-3nfbA:
15.05
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.
3npg UNCHARACTERIZED
DUF364 FAMILY
PROTEIN

(Pyrococcus
horikoshii) 		PF04016
(DUF364)
PF13938
(DUF4213) 		4 LEU A 179
ALA A 169
VAL A 164
ILE A 182
 None
 0.94A 3wsjB-3npgA:
undetectable		 3wsjB-3npgA:
19.92
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.
3pvv CHROMOSOMAL
REPLICATION
INITIATOR PROTEIN
DNAA

(Mycobacterium
tuberculosis) 		PF08299
(Bac_DnaA_C) 		4 ARG A 502
ALA A 447
VAL A 473
ILE A 416
 None
 0.97A 3wsjB-3pvvA:
undetectable		 3wsjB-3pvvA:
23.33
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.
3r0s ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Campylobacter
jejuni) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		4 LEU A 126
ALA A 112
VAL A  58
ILE A 108
 None
 0.96A 3wsjB-3r0sA:
undetectable		 3wsjB-3r0sA:
20.08
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.
3rre PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF01256
(Carb_kinase)
PF03853
(YjeF_N) 		4 LEU A 349
ALA A 361
VAL A 311
ILE A 341
 None
 0.95A 3wsjB-3rreA:
undetectable		 3wsjB-3rreA:
11.90
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.
3s47 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Clostridium
beijerinckii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A 106
ALA A  66
VAL A  11
ILE A 102
 None
 0.88A 3wsjB-3s47A:
undetectable		 3wsjB-3s47A:
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		4 LEU A  30
ASP A  32
ALA A  35
VAL A  54
 None
3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
3TL  A 126 (-3.3A)
 0.55A 3wsjB-3slzA:
10.1		 3wsjB-3slzA:
27.01
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
ASP A  25
ALA A  28
VAL A  47
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 ( 4.9A)
017  A 201 (-4.7A)
 0.65A 3wsjB-3ttpA:
13.0		 3wsjB-3ttpA:
34.48
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.
3tw8 DENN
DOMAIN-CONTAINING
PROTEIN 1B

(Homo sapiens) 		PF02141
(DENN)
PF03455
(dDENN)
PF03456
(uDENN) 		4 ALA A 240
VAL A 264
TRP A 222
ILE A 225
 None
 0.94A 3wsjB-3tw8A:
undetectable		 3wsjB-3tw8A:
17.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 ARG A   8
LEU A  23
ASP A  25
ALA A  28
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
 0.41A 3wsjB-3u7sA:
13.1		 3wsjB-3u7sA:
29.57
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.
3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli) 		PF01522
(Polysacc_deac_1) 		4 ARG A  95
LEU A 284
ALA A 279
ILE A 287
 None
 0.93A 3wsjB-3vusA:
undetectable		 3wsjB-3vusA:
18.82
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.
3w6m 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE

(Pyrococcus
horikoshii) 		PF00150
(Cellulase) 		4 LEU A 103
ALA A 143
TRP A  68
ILE A 101
 None
 0.92A 3wsjB-3w6mA:
undetectable		 3wsjB-3w6mA:
12.94