SIMILAR PATTERNS OF AMINO ACIDS FOR 4NJU_A_TPVA500_2

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.
1dbt OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Bacillus
subtilis) 		PF00215
(OMPdecase) 		6 ASP A 189
VAL A 197
GLY A 214
ILE A 217
PRO A 200
THR A 199
 None
None
U5P  A 250 (-3.4A)
None
None
None
 1.25A 4njuB-1dbtA:
undetectable		 4njuB-1dbtA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eiw HYPOTHETICAL PROTEIN
MTH538

(Methanothermobacter
thermautotrophicus) 		no annotation 5 ALA A  63
VAL A  42
GLY A  58
THR A  72
ILE A  70
 None
 1.09A 4njuB-1eiwA:
undetectable		 4njuB-1eiwA:
23.48
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.
1fob BETA-1,4-GALACTANASE

(Aspergillus
aculeatus) 		PF07745
(Glyco_hydro_53) 		5 ALA A  39
VAL A 324
ILE A  44
PRO A 299
ILE A 328
 None
 1.01A 4njuB-1fobA:
undetectable		 4njuB-1fobA:
14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fob BETA-1,4-GALACTANASE

(Aspergillus
aculeatus) 		PF07745
(Glyco_hydro_53) 		5 LEU A 331
ALA A  39
VAL A 324
PRO A 299
ILE A 328
 None
 1.09A 4njuB-1fobA:
undetectable		 4njuB-1fobA:
14.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.74A 4njuB-1hvcA:
14.0		 4njuB-1hvcA:
43.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ALA A  28
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-3.6A)
 0.71A 4njuB-1hvcA:
14.0		 4njuB-1hvcA:
43.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  84
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-3.8A)
A79  A 800 (-3.6A)
 1.13A 4njuB-1hvcA:
14.0		 4njuB-1hvcA:
43.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  84
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-3.6A)
A79  A 800 (-3.8A)
 1.10A 4njuB-1hvcA:
14.0		 4njuB-1hvcA:
43.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
GLY A  49
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.6A)
 0.59A 4njuB-1hvcA:
14.0		 4njuB-1hvcA:
43.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
GLY A  49
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 (-3.8A)
 0.56A 4njuB-1hvcA:
14.0		 4njuB-1hvcA:
43.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ALA A  28
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-3.8A)
 0.56A 4njuB-1hvcA:
14.0		 4njuB-1hvcA:
43.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kcz BETA-METHYLASPARTASE

(Clostridium
tetanomorphum) 		PF05034
(MAAL_N)
PF07476
(MAAL_C) 		5 ARG A 298
ALA A 287
GLY A 244
ILE A 243
ILE A 251
 None
 1.05A 4njuB-1kczA:
undetectable		 4njuB-1kczA:
14.08
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.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox) 		5 LEU D  86
VAL D 154
PRO D 233
THR D 234
ILE D 231
 None
 1.07A 4njuB-1mtyD:
undetectable		 4njuB-1mtyD:
11.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nt2 CONSERVED
HYPOTHETICAL PROTEIN

(Archaeoglobus
fulgidus) 		PF01798
(Nop) 		5 ARG B 135
LEU B  95
ALA B 163
GLY B 158
ILE B 142
 None
 0.93A 4njuB-1nt2B:
undetectable		 4njuB-1nt2B:
14.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o5w AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Rattus
norvegicus) 		PF01593
(Amino_oxidase) 		5 LEU A 233
ALA A  29
VAL A 238
GLY A  22
ILE A  23
 None
None
None
FAD  A 652 (-3.4A)
FAD  A 652 (-4.8A)
 0.88A 4njuB-1o5wA:
undetectable		 4njuB-1o5wA:
12.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  49
PRO A  81
ILE A  84
 None
 0.78A 4njuB-1sivA:
18.7		 4njuB-1sivA:
48.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tg6 PUTATIVE
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Homo sapiens) 		PF00574
(CLP_protease) 		5 ALA A 154
VAL A 163
GLY A 183
ILE A 184
ILE A 164
 None
 1.07A 4njuB-1tg6A:
undetectable		 4njuB-1tg6A:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1to3 PUTATIVE ALDOLASE
YIHT

(Salmonella
enterica) 		PF01791
(DeoC) 		5 ALA A 189
VAL A 142
GLY A 185
ILE A 218
PRO A 160
 None
 0.95A 4njuB-1to3A:
undetectable		 4njuB-1to3A:
13.07
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.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 276
ALA A 214
VAL A 236
GLY A 222
ILE A 212
 None
 0.91A 4njuB-1v5fA:
undetectable		 4njuB-1v5fA:
10.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cxx PROBABLE GTP-BINDING
PROTEIN ENGB

(Pyrococcus
horikoshii) 		PF01926
(MMR_HSR1) 		5 LEU A 118
ALA A  80
ILE A  49
THR A 125
ILE A 123
 None
 0.92A 4njuB-2cxxA:
undetectable		 4njuB-2cxxA:
19.79
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.
2dmc FILAMIN-B

(Homo sapiens) 		PF00630
(Filamin) 		5 VAL A  85
GLY A  72
ILE A  71
THR A  48
ILE A  87
 None
 1.08A 4njuB-2dmcA:
undetectable		 4njuB-2dmcA:
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.
2ekl D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A  79
VAL A  58
ILE A  71
THR A  84
ILE A  82
 None
 0.96A 4njuB-2eklA:
undetectable		 4njuB-2eklA:
17.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.75A 4njuB-2fmbA:
15.4		 4njuB-2fmbA:
33.33
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.
2jbw 2,6-DIHYDROXY-PSEUDO
-OXYNICOTINE
HYDROLASE

(Paenarthrobacter
nicotinovorans) 		PF06500
(DUF1100) 		5 LEU A 203
ALA A 167
GLY A 212
ILE A 142
ILE A 206
 None
None
None
None
NA  A1368 (-4.3A)
 1.10A 4njuB-2jbwA:
undetectable		 4njuB-2jbwA:
13.87
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.
2p1g PUTATIVE XYLANASE

(Bacteroides
fragilis) 		PF07313
(DUF1460) 		5 LEU A 197
ALA A 212
VAL A 253
GLY A 185
ILE A 195
 None
 1.09A 4njuB-2p1gA:
undetectable		 4njuB-2p1gA:
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.
2pyx TRYPTOPHAN
HALOGENASE

(Shewanella
frigidimarina) 		PF04820
(Trp_halogenase) 		5 LEU A  42
VAL A 190
GLY A  18
ILE A 349
ILE A  44
 None
 0.97A 4njuB-2pyxA:
undetectable		 4njuB-2pyxA:
10.27
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.
2qv3 VACUOLATING
CYTOTOXIN

(Helicobacter
pylori) 		PF02691
(VacA) 		5 ALA A 752
ILE A 746
PRO A 797
THR A 796
ILE A 753
 None
 0.94A 4njuB-2qv3A:
undetectable		 4njuB-2qv3A:
11.57
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
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.74A 4njuB-2rkfA:
20.4		 4njuB-2rkfA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 ( 4.2A)
 0.55A 4njuB-2rkfA:
20.4		 4njuB-2rkfA:
81.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.81A 4njuB-2rspA:
13.2		 4njuB-2rspA:
29.60
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.
3adp LAMBDA-CRYSTALLIN

(Oryctolagus
cuniculus) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 ARG A  50
LEU A  72
VAL A  32
GLY A  18
ILE A  75
 None
 1.06A 4njuB-3adpA:
undetectable		 4njuB-3adpA:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ah7 [2FE-2S]FERREDOXIN

(Pseudomonas
putida) 		PF00111
(Fer2) 		5 LEU A  29
VAL A  88
GLY A  57
THR A  24
ILE A  26
 None
 0.97A 4njuB-3ah7A:
undetectable		 4njuB-3ah7A:
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.
3cp8 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA

(Chlorobaculum
tepidum) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 LEU A 116
ASP A 118
VAL A   7
GLY A 122
ILE A  30
 None
 0.99A 4njuB-3cp8A:
undetectable		 4njuB-3cp8A:
9.74
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.
3dfi PSEUDOAGLYCONE
DEACETYLASE DBV21

(Actinoplanes
teichomyceticus) 		PF02585
(PIG-L) 		5 LEU A 148
ALA A  12
VAL A  38
GLY A  25
ILE A  10
 None
 0.89A 4njuB-3dfiA:
undetectable		 4njuB-3dfiA:
17.70
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.
3e4e CYTOCHROME P450 2E1

(Homo sapiens) 		PF00067
(p450) 		5 ALA A 438
GLY A 300
ILE A 180
THR A 292
ILE A 114
 HEM  A 500 (-3.8A)
HEM  A 500 (-3.4A)
None
None
HEM  A 500 (-4.0A)
 1.07A 4njuB-3e4eA:
undetectable		 4njuB-3e4eA:
14.22
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.
3f1x SERINE
ACETYLTRANSFERASE

(Bacteroides
vulgatus) 		PF00132
(Hexapep) 		5 LEU A 231
ALA A 264
VAL A 284
ILE A 259
ILE A 266
 None
 1.08A 4njuB-3f1xA:
undetectable		 4njuB-3f1xA:
16.26
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.
3fz0 NUCLEOSIDE
HYDROLASE, PUTATIVE

(Trypanosoma
brucei) 		PF01156
(IU_nuc_hydro) 		5 ALA A  23
VAL A 129
ILE A  18
THR A  10
ILE A   8
 None
 1.01A 4njuB-3fz0A:
undetectable		 4njuB-3fz0A:
14.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ib3 COCE/NOND FAMILY
HYDROLASE

(Staphylococcus
aureus) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 LEU A 186
ALA A 154
VAL A  69
THR A 165
ILE A 163
 None
 1.07A 4njuB-3ib3A:
undetectable		 4njuB-3ib3A:
11.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kts GLYCEROL UPTAKE
OPERON
ANTITERMINATOR
REGULATORY PROTEIN

(Listeria
monocytogenes) 		PF04309
(G3P_antiterm) 		5 LEU A  28
ALA A 173
GLY A 154
ILE A 157
ILE A  11
 None
None
UNL  A 191 ( 3.7A)
UNL  A 191 ( 4.8A)
None
 1.08A 4njuB-3ktsA:
undetectable		 4njuB-3ktsA:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lme POSSIBLE TRANSLATION
INITIATION INHIBITOR

(Rhodopseudomonas
palustris) 		PF01042
(Ribonuc_L-PSP) 		5 ALA A  91
GLY A  48
ILE A  31
PRO A  41
THR A  40
 None
 1.05A 4njuB-3lmeA:
undetectable		 4njuB-3lmeA:
23.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
ALA A  28
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.84A 4njuB-3mwsA:
19.7		 4njuB-3mwsA:
70.71
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
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 None
 0.64A 4njuB-3mwsA:
19.7		 4njuB-3mwsA:
70.71
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.
3n0w ABC BRANCHED CHAIN
AMINO ACID FAMILY
TRANSPORTER,
PERIPLASMIC LIGAND
BINDING PROTEIN

(Paraburkholderia
xenovorans) 		PF13458
(Peripla_BP_6) 		5 ARG A  86
LEU A 112
ALA A 120
GLY A  30
ILE A 109
 None
 1.09A 4njuB-3n0wA:
undetectable		 4njuB-3n0wA:
15.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n2c PROLIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 ASP A 105
ALA A 109
ILE A  91
PRO A 125
ILE A 127
 None
 0.77A 4njuB-3n2cA:
undetectable		 4njuB-3n2cA:
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.
3o7w LEUCINE CARBOXYL
METHYLTRANSFERASE 1

(Homo sapiens) 		PF04072
(LCM) 		5 LEU A 329
ALA A  83
ILE A  94
THR A 321
ILE A 332
 None
 1.07A 4njuB-3o7wA:
undetectable		 4njuB-3o7wA:
16.26
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.
3r9w GTPASE ERA

(Aquifex
aeolicus) 		PF01926
(MMR_HSR1)
PF07650
(KH_2) 		5 LEU A 114
ALA A   7
GLY A  10
ILE A  62
ILE A  89
 None
 0.90A 4njuB-3r9wA:
undetectable		 4njuB-3r9wA:
15.07
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
ALA A  35
VAL A  39
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.55A 4njuB-3slzA:
11.7		 4njuB-3slzA:
25.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
ALA A  35
VAL A  39
PRO A  89
 None
3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-4.0A)
 0.72A 4njuB-3slzA:
11.7		 4njuB-3slzA:
25.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.59A 4njuB-3t3cA:
18.7		 4njuB-3t3cA:
75.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3toy MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Bradyrhizobium
sp. ORS 278) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  51
ALA A  11
GLY A  70
ILE A  69
ILE A  37
 None
 1.04A 4njuB-3toyA:
undetectable		 4njuB-3toyA:
14.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tt6 ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Bacillus
subtilis) 		PF00574
(CLP_protease) 		5 ALA A 154
VAL A 163
GLY A 183
THR A 168
ILE A 164
 None
 0.98A 4njuB-3tt6A:
undetectable		 4njuB-3tt6A:
18.18
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
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
017  A 201 (-3.4A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.72A 4njuB-3ttpA:
19.6		 4njuB-3ttpA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.7A)
 0.47A 4njuB-3ttpA:
19.6		 4njuB-3ttpA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.60A 4njuB-3u7sA:
19.9		 4njuB-3u7sA:
79.80
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.
3vov GLUCOKINASE

(Thermus
thermophilus) 		PF00480
(ROK) 		5 LEU A   8
VAL A  29
PRO A  32
THR A  31
ILE A  13
 None
 0.97A 4njuB-3vovA:
undetectable		 4njuB-3vovA:
14.92
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.
4anj UNCONVENTIONAL
MYOSIN-VI, GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Sus scrofa) 		PF00063
(Myosin_head)
PF01353
(GFP) 		5 LEU A 292
ALA A 253
GLY A 315
ILE A 318
ILE A 291
 None
 1.04A 4njuB-4anjA:
undetectable		 4njuB-4anjA:
7.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		5 ALA A 180
GLY A 175
ILE A 174
PRO A 134
ILE A 109
 None
 0.98A 4njuB-4c3yA:
undetectable		 4njuB-4c3yA:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i1s MELANOMA
DIFFERENTIATION
ASSOCIATED PROTEIN-5

(Sus scrofa) 		PF00271
(Helicase_C) 		6 LEU A 731
ALA A 748
GLY A 718
ILE A 800
THR A 722
ILE A 784
 None
 1.14A 4njuB-4i1sA:
undetectable		 4njuB-4i1sA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4inj LMO1638 PROTEIN

(Listeria
monocytogenes) 		PF02016
(Peptidase_S66) 		5 LEU A 162
ALA A 309
GLY A 306
ILE A 305
ILE A 321
 None
 1.01A 4njuB-4injA:
undetectable		 4njuB-4injA:
16.26
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.
4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Thermobifida
fusca) 		PF02011
(Glyco_hydro_48) 		5 LEU A 149
ALA A 170
PRO A 188
THR A 174
ILE A 172
 None
 1.04A 4njuB-4jjjA:
undetectable		 4njuB-4jjjA:
10.08
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.
4jpz FIBROBLAST GROWTH
FACTOR 13
SODIUM CHANNEL
PROTEIN TYPE 2
SUBUNIT ALPHA

(Homo sapiens) 		PF00167
(FGF)
PF00612
(IQ)
PF16905
(GPHH) 		5 LEU A  51
GLY B1849
PRO A 145
THR A  18
ILE A  16
 None
 0.94A 4njuB-4jpzA:
undetectable		 4njuB-4jpzA:
19.35
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.
4jq0 FIBROBLAST GROWTH
FACTOR 12
SODIUM CHANNEL
PROTEIN TYPE 5
SUBUNIT ALPHA

(Homo sapiens) 		PF00167
(FGF)
PF16905
(GPHH) 		6 LEU A  51
VAL A 148
GLY D1845
PRO A 145
THR A  18
ILE A  16
 None
 1.19A 4njuB-4jq0A:
undetectable		 4njuB-4jq0A:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ksy STIMULATOR OF
INTERFERON GENES
PROTEIN

(Homo sapiens) 		PF15009
(TMEM173) 		5 LEU A 222
ASP A 223
VAL A 258
THR A 256
ILE A 244
 None
 0.99A 4njuB-4ksyA:
undetectable		 4njuB-4ksyA:
16.94
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.
4mgg MUCONATE LACTONIZING
ENZYME

(Labrenzia
aggregata) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 236
ALA A 192
ILE A 174
THR A 234
ILE A 217
 None
 0.95A 4njuB-4mggA:
undetectable		 4njuB-4mggA:
13.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4moz FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Slackia
heliotrinireducens) 		PF01791
(DeoC) 		5 ALA A 229
VAL A 211
GLY A 199
PRO A 179
ILE A 194
 None
 1.09A 4njuB-4mozA:
undetectable		 4njuB-4mozA:
15.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
VAL A  32
GLY A  48
THR A  82
ILE A  84
 RIT  A 500 (-3.6A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.77A 4njuB-4njvA:
20.4		 4njuB-4njvA:
98.99
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) 		9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
GLY A  49
ILE A  50
THR A  82
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
RIT  A 500 (-4.3A)
 0.75A 4njuB-4njvA:
20.4		 4njuB-4njvA:
98.99
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 VAL A  32
GLY A  49
ILE A  50
PRO A  81
THR A  82
 None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.94A 4njuB-4njvA:
20.4		 4njuB-4njvA:
98.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pm4 IRON COMPLEX
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Mycobacterium
tuberculosis) 		PF01497
(Peripla_BP_2) 		5 VAL A  16
GLY A 143
ILE A 142
THR A  25
ILE A  27
 None
 0.85A 4njuB-4pm4A:
undetectable		 4njuB-4pm4A:
15.15
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.
4pyr PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Chromobacterium
violaceum) 		PF04348
(LppC) 		5 LEU A 166
VAL A  88
GLY A 107
ILE A 337
ILE A 146
 None
 0.82A 4njuB-4pyrA:
undetectable		 4njuB-4pyrA:
14.33
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.
4ryf ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Listeria
monocytogenes) 		PF00574
(CLP_protease) 		5 ALA H 155
VAL H 164
GLY H 184
THR H 169
ILE H 165
 None
 1.03A 4njuB-4ryfH:
undetectable		 4njuB-4ryfH:
17.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rzk SMALL HEAT SHOCK
PROTEIN HSP20 FAMILY

(Sulfolobus
solfataricus) 		PF00011
(HSP20) 		5 LEU A 121
ALA A  87
ILE A  90
PRO A 139
ILE A 136
 None
 1.05A 4njuB-4rzkA:
undetectable		 4njuB-4rzkA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u0g ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2

(Mycobacterium
tuberculosis) 		PF00574
(CLP_protease) 		5 ALA A 169
VAL A 178
GLY A 198
ILE A 199
ILE A 179
 None
 1.08A 4njuB-4u0gA:
undetectable		 4njuB-4u0gA:
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.
4u0g ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2

(Mycobacterium
tuberculosis) 		PF00574
(CLP_protease) 		5 ALA A 169
VAL A 178
GLY A 198
THR A 183
ILE A 179
 None
 1.05A 4njuB-4u0gA:
undetectable		 4njuB-4u0gA:
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.
4wrr PUTATIVE
DIACYLGLYCEROL
KINASE

(Bacillus
anthracis) 		PF00781
(DAGK_cat) 		5 LEU A  43
ALA A  51
VAL A  67
GLY A  80
ILE A  12
 None
 1.05A 4njuB-4wrrA:
undetectable		 4njuB-4wrrA:
16.50
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.
4xgj UNCHARACTERIZED
PROTEIN

(Pectobacterium
atrosepticum) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 ARG A 179
ALA A 118
VAL A 212
GLY A 229
ILE A 211
 None
 1.07A 4njuB-4xgjA:
undetectable		 4njuB-4xgjA:
11.98
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) 		7 ARG A  10
LEU A  30
ASP A  32
ALA A  35
VAL A  39
GLY A  58
ILE A 100
 None
None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.74A 4njuB-4ydfA:
13.4		 4njuB-4ydfA:
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.
4ztc AMINOTRANSFERASE
HOMOLOG

(Campylobacter
jejuni) 		PF01041
(DegT_DnrJ_EryC1) 		5 ALA A  63
VAL A 151
GLY A 196
ILE A 195
ILE A 153
 None
 1.08A 4njuB-4ztcA:
undetectable		 4njuB-4ztcA:
12.69
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.
5b16 RIBONUCLEASE
3,DROSHA,RIBONUCLEAS
E
3,DROSHA,RIBONUCLEAS
E 3

(Homo sapiens) 		PF00035
(dsrm)
PF00636
(Ribonuclease_3)
PF14622
(Ribonucleas_3_3) 		5 LEU A1047
ALA A1060
VAL A 976
GLY A1065
ILE A1048
 None
 1.04A 4njuB-5b16A:
undetectable		 4njuB-5b16A:
6.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cdi CHAPERONIN 60B1

(Chlamydomonas
reinhardtii) 		PF00118
(Cpn60_TCP1) 		5 ALA A 449
GLY A 104
ILE A 107
THR A 124
ILE A 446
 None
 0.93A 4njuB-5cdiA:
undetectable		 4njuB-5cdiA:
13.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cw5 BRCA1/BRCA2-CONTAINI
NG COMPLEX SUBUNIT 3

(Camponotus
floridanus) 		PF01398
(JAB) 		5 LEU A  79
VAL A  89
GLY A  33
ILE A  51
ILE A  36
 None
 1.01A 4njuB-5cw5A:
undetectable		 4njuB-5cw5A:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g4q DNA POLYMERASE III
SUBUNIT BETA

(Helicobacter
pylori) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 LEU A  42
ALA A  13
ILE A  79
THR A  59
ILE A  57
 None
 0.98A 4njuB-5g4qA:
undetectable		 4njuB-5g4qA:
13.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ihe DNA POLYMERASE II
SMALL SUBUNIT

(Pyrococcus
abyssi) 		PF00149
(Metallophos) 		5 LEU A 488
VAL A 199
GLY A 447
ILE A 401
ILE A 486
 None
 1.08A 4njuB-5iheA:
undetectable		 4njuB-5iheA:
12.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ikb GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
4,GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
4

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		5 LEU A 235
ASP A 231
GLY A 217
ILE A  91
ILE A 234
 None
 1.08A 4njuB-5ikbA:
undetectable		 4njuB-5ikbA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5it1 PUTATIVE CYTOCHROME
P450

(Streptomyces
peucetius) 		PF00067
(p450) 		5 ALA A 238
VAL A 150
GLY A 350
ILE A 349
ILE A 151
 HEM  A 401 (-3.1A)
None
HEM  A 401 ( 3.7A)
HEM  A 401 (-4.4A)
None
 0.87A 4njuB-5it1A:
undetectable		 4njuB-5it1A:
13.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jcf MELANOMA
DIFFERENTIATION
ASSOCIATED PROTEIN-5

(Gallus gallus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		5 LEU A 708
ALA A 725
GLY A 695
THR A 699
ILE A 761
 None
 1.09A 4njuB-5jcfA:
undetectable		 4njuB-5jcfA:
9.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jcf MELANOMA
DIFFERENTIATION
ASSOCIATED PROTEIN-5

(Gallus gallus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		5 LEU A 708
GLY A 695
ILE A 777
THR A 699
ILE A 761
 None
 1.07A 4njuB-5jcfA:
undetectable		 4njuB-5jcfA:
9.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mnj E3 UBIQUITIN-PROTEIN
LIGASE MDM2

(Homo sapiens) 		PF13920
(zf-C3HC4_3) 		5 VAL C 439
GLY C 448
ILE C 485
PRO C 476
ILE C 440
 None
 1.02A 4njuB-5mnjC:
undetectable		 4njuB-5mnjC:
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.
5n3u PHYCOCYANOBILIN
LYASE SUBUNIT ALPHA

(Nostoc sp. PCC
7120) 		no annotation 5 LEU A 203
ALA A 243
GLY A 222
ILE A 221
ILE A 230
 None
 1.02A 4njuB-5n3uA:
undetectable		 4njuB-5n3uA:
22.11
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.
5suo EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF12010
(DUF3502) 		5 LEU A 228
ASP A 215
VAL A 235
THR A 232
ILE A 226
 IOD  A 506 ( 4.3A)
IOD  A 516 ( 4.8A)
None
None
None
 0.94A 4njuB-5suoA:
undetectable		 4njuB-5suoA:
11.88
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
ALA A  28
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 None
 0.83A 4njuB-5t2zA:
20.0		 4njuB-5t2zA:
85.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
GLY A  49
ILE A  50
ILE A  84
 None
 0.59A 4njuB-5t2zA:
20.0		 4njuB-5t2zA:
85.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w8p HOMOSERINE
O-ACETYLTRANSFERASE

(Mycobacteroides
abscessus) 		PF00561
(Abhydrolase_1) 		5 ARG A 238
ASP A 327
VAL A 351
GLY A 159
ILE A 324
 None
 1.06A 4njuB-5w8pA:
undetectable		 4njuB-5w8pA:
16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wgx FLAVIN-DEPENDENT
HALOGENASE

(Malbranchea
aurantiaca) 		PF04820
(Trp_halogenase) 		5 LEU A  64
VAL A 160
GLY A  49
ILE A 397
ILE A  66
 None
 0.89A 4njuB-5wgxA:
undetectable		 4njuB-5wgxA:
10.88
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.
5z2e DIHYDRODIPICOLINATE
REDUCTASE

(Paenisporosarcina
sp. TG-14) 		no annotation 5 ALA A 124
VAL A  96
GLY A 242
ILE A 129
ILE A 122
 None
 0.95A 4njuB-5z2eA:
undetectable		 4njuB-5z2eA:
21.57
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.
6bnp UNCONVENTIONAL
MYOSIN-VI

(Sus scrofa) 		no annotation 5 LEU I 292
ALA I 253
GLY I 315
ILE I 318
ILE I 291
 None
 1.07A 4njuB-6bnpI:
undetectable		 4njuB-6bnpI:
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.
6cfd ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Enterococcus
faecium) 		no annotation 5 ALA A 155
VAL A 164
GLY A 184
THR A 169
ILE A 165
 None
 1.01A 4njuB-6cfdA:
undetectable		 4njuB-6cfdA:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ei3 PROTON-DEPENDENT
OLIGOPEPTIDE
TRANSPORTER FAMILY
PROTEIN

(Xanthomonas
campestris) 		no annotation 5 LEU A 173
ALA A 186
GLY A 191
ILE A 192
ILE A 174
 None
None
None
78M  A 603 (-4.3A)
None
 0.97A 4njuB-6ei3A:
undetectable		 4njuB-6ei3A:
10.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 ARG A  13
LEU A  28
ASP A  30
ALA A  33
GLY A  58
 None
None
3TL  A 201 (-3.5A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.4A)
 0.42A 4njuB-6fivA:
15.9		 4njuB-6fivA:
31.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
ILE A  84
 None
None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.74A 4njuB-6upjA:
17.9		 4njuB-6upjA:
47.47