SIMILAR PATTERNS OF AMINO ACIDS FOR 3WSJ_A_MK1A201_1

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