SIMILAR PATTERNS OF AMINO ACIDS FOR 3TQ8_A_TOPA2001_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.
1b0a PROTEIN (FOLD
BIFUNCTIONAL
PROTEIN)

(Escherichia
coli) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 ILE A 207
ALA A 162
SER A 254
ILE A 228
THR A 186
 None
 1.24A 3tq8A-1b0aA:
undetectable		 3tq8A-1b0aA:
20.13
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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		6 ALA A   8
ASP A  27
PHE A  31
ILE A  51
ILE A 100
THR A 121
 None
 0.53A 3tq8A-1cz3A:
20.0		 3tq8A-1cz3A:
29.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		7 ILE A   7
ALA A   9
LEU A  22
PHE A  34
SER A  59
ILE A  60
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-4.1A)
NAP  A 191 ( 4.1A)
None
HBI  A 198 ( 4.5A)
 0.79A 3tq8A-1dr6A:
21.3		 3tq8A-1dr6A:
31.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fft UBIQUINOL OXIDASE

(Escherichia
coli) 		PF00115
(COX1) 		5 ILE A 424
ALA A 115
LEU A  69
ILE A 505
ILE A 425
 HEM  A1001 ( 3.8A)
HEM  A1001 ( 4.4A)
None
HEM  A1001 ( 4.3A)
HEM  A1001 (-4.3A)
 1.12A 3tq8A-1fftA:
undetectable		 3tq8A-1fftA:
13.10
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.
1g6o CAG-ALPHA

(Helicobacter
pylori) 		PF00437
(T2SSE) 		5 ALA A  31
LEU A  28
PHE A  36
SER A 106
ILE A 130
 None
 1.24A 3tq8A-1g6oA:
undetectable		 3tq8A-1g6oA:
18.48
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.
1i1g TRANSCRIPTIONAL
REGULATOR LRPA

(Pyrococcus
furiosus) 		PF01037
(AsnC_trans_reg)
PF13412
(HTH_24) 		5 ILE A 125
ALA A  81
LEU A  93
ILE A 106
ILE A 122
 None
 1.15A 3tq8A-1i1gA:
undetectable		 3tq8A-1i1gA:
27.07
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.
1jj4 REGULATORY PROTEIN
E2

(Alphapapillomavirus
7) 		PF00511
(PPV_E2_C) 		5 ILE A 358
LEU A 299
SER A 317
ILE A 316
ILE A 290
 None
 1.20A 3tq8A-1jj4A:
undetectable		 3tq8A-1jj4A:
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.
1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE

(Methanocaldococcus
jannaschii) 		PF01862
(PvlArgDC) 		5 ILE A  93
ALA A 161
LEU A  64
ILE A 144
THR A  75
 None
 1.21A 3tq8A-1n2mA:
undetectable		 3tq8A-1n2mA:
23.94
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.
1oal SUPEROXIDE DISMUTASE

(Photobacterium
leiognathi) 		PF00080
(Sod_Cu) 		5 ILE A 122
ALA A 146
LEU A  37
PHE A  44
ILE A  19
 None
 1.05A 3tq8A-1oalA:
undetectable		 3tq8A-1oalA:
18.32
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.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		5 ILE A  63
ALA A  71
LEU A  89
ILE A  33
ILE A  62
 None
 0.94A 3tq8A-1q9pA:
undetectable		 3tq8A-1q9pA:
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.
1s0u TRANSLATION
INITIATION FACTOR 2
GAMMA SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF09173
(eIF2_C) 		5 ILE A  75
ALA A 241
LEU A 317
SER A 113
THR A 335
 None
 1.11A 3tq8A-1s0uA:
undetectable		 3tq8A-1s0uA:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		6 ILE A   7
ALA A   9
PHE A  34
SER A  59
ILE A  60
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
NDP  A 188 ( 3.8A)
MTX  A 187 ( 4.2A)
MTX  A 187 (-4.4A)
 0.75A 3tq8A-1u70A:
21.0		 3tq8A-1u70A:
28.71
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.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		5 ILE A   7
ALA A   9
PHE A  34
ILE A  60
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
MXA  A 187 ( 4.7A)
MXA  A 187 (-4.3A)
 0.36A 3tq8A-1u71A:
21.1		 3tq8A-1u71A:
29.00
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.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		5 ILE A   7
ALA A   9
SER A  59
ILE A  60
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
MXA  A 187 (-4.3A)
 0.71A 3tq8A-1u71A:
21.1		 3tq8A-1u71A:
29.00
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.
1x1n 4-ALPHA-GLUCANOTRANS
FERASE

(Solanum
tuberosum) 		PF02446
(Glyco_hydro_77) 		5 ILE A 384
ASP A 354
PHE A 353
ILE A 308
ILE A 365
 None
 1.23A 3tq8A-1x1nA:
undetectable		 3tq8A-1x1nA:
15.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x40 ARAP2

(Homo sapiens) 		PF00536
(SAM_1) 		5 ILE A  25
LEU A  75
PHE A  21
ILE A  48
ILE A  67
 None
 1.22A 3tq8A-1x40A:
undetectable		 3tq8A-1x40A:
19.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
LEU A  20
ASP A  27
PHE A  31
ILE A  50
ILE A  96
THR A 115
 None
None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
None
None
 0.51A 3tq8A-1zdrA:
25.2		 3tq8A-1zdrA:
42.62
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		9 ILE A  13
ALA A  15
LEU A  45
ASP A  53
PHE A  57
SER A 120
ILE A 121
ILE A 173
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
CP7  A1240 ( 3.8A)
CP7  A1240 (-4.1A)
 0.69A 3tq8A-2blbA:
20.1		 3tq8A-2blbA:
26.32
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.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		5 ILE A 577
ALA A 561
PHE A 559
SER A 621
ILE A 620
 None
 1.00A 3tq8A-2c4mA:
undetectable		 3tq8A-2c4mA:
12.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gza TYPE IV SECRETION
SYSTEM PROTEIN
VIRB11

(Brucella suis) 		PF00437
(T2SSE) 		5 ILE A 208
ALA A 242
SER A 275
ILE A 256
THR A 240
 None
 1.21A 3tq8A-2gzaA:
undetectable		 3tq8A-2gzaA:
19.71
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  28
ASP A  48
PHE A  52
SER A  83
ILE A 154
THR A 178
 NAP  A 523 (-3.7A)
None
None
NAP  A 523 ( 4.4A)
None
None
 0.68A 3tq8A-2h2qA:
19.8		 3tq8A-2h2qA:
19.32
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  28
PHE A  52
SER A  83
ILE A  84
ILE A 154
THR A 178
 NAP  A 523 (-3.7A)
None
NAP  A 523 ( 4.4A)
None
None
None
 0.86A 3tq8A-2h2qA:
19.8		 3tq8A-2h2qA:
19.32
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.
2h30 PEPTIDE METHIONINE
SULFOXIDE REDUCTASE
MSRA/MSRB

(Neisseria
gonorrhoeae) 		PF08534
(Redoxin) 		5 ALA A  49
LEU A  53
ILE A 146
ILE A 131
THR A  43
 None
 1.13A 3tq8A-2h30A:
undetectable		 3tq8A-2h30A:
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.
2i3o GAMMA-GLUTAMYLTRANSF
ERASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF01019
(G_glu_transpept) 		5 ALA A 124
ASP A  38
ILE A 346
ILE A  65
THR A 125
 None
 1.18A 3tq8A-2i3oA:
undetectable		 3tq8A-2i3oA:
17.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2k5t UNCHARACTERIZED
PROTEIN YHHK

(Escherichia
coli) 		PF12568
(DUF3749) 		5 ILE A   5
ALA A  51
LEU A  19
SER A  12
ILE A   6
 None
 1.22A 3tq8A-2k5tA:
undetectable		 3tq8A-2k5tA:
20.77
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
LEU A  25
ASP A  32
PHE A  36
SER A  61
ILE A  62
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.2A)
 0.65A 3tq8A-2oipA:
22.1		 3tq8A-2oipA:
18.76
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.
2q0a POTASSIUM/SODIUM
HYPERPOLARIZATION-AC
TIVATED CYCLIC
NUCLEOTIDE-GATED
CHANNEL 2

(Mus musculus) 		PF00027
(cNMP_binding) 		5 ILE A 545
ALA A 593
PHE A 580
ILE A 544
THR A 592
 PCG  A 401 ( 4.0A)
PCG  A 401 (-3.8A)
None
None
PCG  A 401 (-2.9A)
 1.06A 3tq8A-2q0aA:
undetectable		 3tq8A-2q0aA:
19.50
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.
2qqc PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC)

(Methanocaldococcus
jannaschii) 		PF01862
(PvlArgDC) 		5 ILE B  93
ALA B 161
LEU B  64
ILE B 144
THR B  75
 None
 1.19A 3tq8A-2qqcB:
undetectable		 3tq8A-2qqcB:
21.21
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.
2va1 URIDYLATE KINASE

(Ureaplasma
parvum) 		PF00696
(AA_kinase) 		5 ILE A  10
LEU A  88
SER A  39
ILE A  38
ILE A   8
 None
 1.05A 3tq8A-2va1A:
undetectable		 3tq8A-2va1A:
20.99
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 ALA A  11
ASP A  31
PHE A  35
SER A  53
ILE A 102
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-3.9A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 4.2A)
VG9  A1168 ( 4.7A)
 0.55A 3tq8A-2w3wA:
24.2		 3tq8A-2w3wA:
29.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
LEU A  20
ASP A  27
SER A  49
ILE A  50
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
TOP  A1160 ( 4.5A)
 0.25A 3tq8A-2w9sA:
25.8		 3tq8A-2w9sA:
42.11
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.
2wte CSA3

(Sulfolobus
solfataricus) 		no annotation 5 ILE A  82
LEU A  93
PHE A   5
ILE A 100
ILE A  78
 None
 0.97A 3tq8A-2wteA:
2.1		 3tq8A-2wteA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xn6 THYROXINE-BINDING
GLOBULIN

(Homo sapiens) 		PF00079
(Serpin) 		5 ILE A  46
ALA A 292
PHE A  37
SER A  52
ILE A  53
 None
EDO  A1363 (-3.3A)
None
None
None
 1.19A 3tq8A-2xn6A:
undetectable		 3tq8A-2xn6A:
17.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zqp PREPROTEIN
TRANSLOCASE SECY
SUBUNIT

(Thermus
thermophilus) 		PF00344
(SecY) 		5 ILE Y  77
ALA Y 172
ILE Y 120
ILE Y 165
THR Y 184
 None
 1.21A 3tq8A-2zqpY:
undetectable		 3tq8A-2zqpY:
15.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bil PROBABLE LACI-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Corynebacterium
glutamicum) 		PF13407
(Peripla_BP_4) 		5 ILE A 291
PHE A 245
SER A 212
ILE A 171
THR A 289
 None
 1.22A 3tq8A-3bilA:
undetectable		 3tq8A-3bilA:
19.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
LEU A  19
ASP A  26
PHE A  30
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.0A)
MTX  A 164 ( 4.3A)
 0.29A 3tq8A-3dfrA:
24.7		 3tq8A-3dfrA:
32.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
LEU A  19
ASP A  26
SER A  48
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.3A)
 0.60A 3tq8A-3dfrA:
24.7		 3tq8A-3dfrA:
32.42
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		8 ILE A  14
ALA A  16
LEU A  46
ASP A  54
PHE A  58
SER A 111
ILE A 112
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.3A)
RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.8A)
RJ6  A 609 ( 4.5A)
 0.70A 3tq8A-3dg8A:
20.6		 3tq8A-3dg8A:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ff6 ACETYL-COA
CARBOXYLASE 2

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		5 ALA A2209
ASP A2208
ILE A2193
ILE A2313
THR A2210
 None
 1.12A 3tq8A-3ff6A:
undetectable		 3tq8A-3ff6A:
12.65
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.
3gb0 PEPTIDASE T

(Bacillus cereus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ILE A  72
LEU A 122
PHE A  74
ILE A 366
THR A 131
 None
 1.20A 3tq8A-3gb0A:
undetectable		 3tq8A-3gb0A:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gyq RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE

(Streptomyces
cyaneus) 		PF00588
(SpoU_methylase)
PF04705
(TSNR_N) 		5 ILE A 145
ALA A 142
SER A 188
ILE A 185
ILE A 146
 None
 1.16A 3tq8A-3gyqA:
2.7		 3tq8A-3gyqA:
21.03
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.
3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE

(Aspergillus
parasiticus) 		PF14765
(PS-DH) 		5 ILE A1545
ALA A1549
LEU A1622
PHE A1617
THR A1590
 None
 1.17A 3tq8A-3hrrA:
undetectable		 3tq8A-3hrrA:
17.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
LEU X  20
ASP X  27
SER X  49
ILE X  50
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-2.8A)
N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
N22  X 219 (-4.4A)
 0.59A 3tq8A-3i8aX:
25.6		 3tq8A-3i8aX:
41.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		7 ILE A   6
ALA A   8
PHE A  32
SER A  50
ILE A  51
ILE A  96
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.1A)
NDP  A 163 ( 3.8A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.2A)
MTX  A 164 (-4.3A)
 0.34A 3tq8A-3ia4A:
26.4		 3tq8A-3ia4A:
43.09
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.
3iml S-ADENOSYLMETHIONINE
SYNTHETASE

(Burkholderia
pseudomallei) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 ALA A  70
LEU A  54
ILE A  58
ILE A  64
THR A  73
 None
 1.13A 3tq8A-3imlA:
undetectable		 3tq8A-3imlA:
17.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		5 ILE A   8
ALA A  10
LEU A  23
PHE A  34
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 (-4.4A)
MTX  A 200 ( 4.5A)
 0.32A 3tq8A-3ix9A:
25.2		 3tq8A-3ix9A:
35.94
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
ASP A  37
SER A  72
ILE A  73
THR A 144
 NAP  A 512 (-3.7A)
None
NAP  A 512 ( 4.2A)
None
None
 0.80A 3tq8A-3kjrA:
21.3		 3tq8A-3kjrA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kzh PROBABLE SUGAR
KINASE

(Clostridium
perfringens) 		PF00294
(PfkB) 		5 ILE A 180
ALA A 173
SER A 225
ILE A 224
ILE A 186
 None
None
BGC  A 329 (-3.1A)
None
None
 1.14A 3tq8A-3kzhA:
undetectable		 3tq8A-3kzhA:
20.54
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.
3ntd FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Shewanella
loihica) 		PF00581
(Rhodanese)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 468
ALA A 461
PHE A 401
ILE A 555
ILE A 467
 None
 1.22A 3tq8A-3ntdA:
undetectable		 3tq8A-3ntdA:
15.40
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.
3ntl ACID
GLUCOSE-1-PHOSPHATE
PHOSPHATASE

(Enterobacter
cloacae) 		PF00328
(His_Phos_2) 		5 LEU A 263
PHE A 320
SER A 293
ILE A 318
THR A 282
 None
 1.08A 3tq8A-3ntlA:
undetectable		 3tq8A-3ntlA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ogj PRKG1 PROTEIN

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 146
ALA A 194
PHE A 181
ILE A 145
THR A 193
 CMP  A 250 ( 4.2A)
CMP  A 250 (-3.6A)
None
None
CMP  A 250 (-2.9A)
 1.09A 3tq8A-3ogjA:
undetectable		 3tq8A-3ogjA:
20.21
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.
3qoc PUTATIVE
METALLOPEPTIDASE

(Corynebacterium
diphtheriae) 		PF01321
(Creatinase_N) 		5 ILE A  67
ALA A  82
LEU A  89
ILE A  77
ILE A  70
 None
 1.23A 3tq8A-3qocA:
undetectable		 3tq8A-3qocA:
22.81
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.
3qpm PEROXIREDOXIN

(Larimichthys
crocea) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		5 LEU A 158
ASP A 108
SER A 121
ILE A 163
THR A 144
 None
 1.22A 3tq8A-3qpmA:
undetectable		 3tq8A-3qpmA:
18.65
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
ASP A  54
PHE A  58
SER A  89
ILE A 160
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
WRA  A 602 ( 4.2A)
WRA  A 602 ( 3.9A)
WRA  A 602 (-4.2A)
 0.57A 3tq8A-3rg9A:
20.2		 3tq8A-3rg9A:
27.46
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.
3shr CGMP-DEPENDENT
PROTEIN KINASE 1

(Bos taurus) 		PF00027
(cNMP_binding) 		5 ILE A 248
ALA A 302
ILE A 260
ILE A 247
THR A 301
 None
 1.22A 3tq8A-3shrA:
undetectable		 3tq8A-3shrA:
18.60
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.
3shr CGMP-DEPENDENT
PROTEIN KINASE 1

(Bos taurus) 		PF00027
(cNMP_binding) 		5 ILE A 248
ALA A 302
PHE A 289
ILE A 247
THR A 301
 None
 0.80A 3tq8A-3shrA:
undetectable		 3tq8A-3shrA:
18.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		9 ILE A   6
ALA A   8
LEU A  21
ASP A  28
PHE A  32
SER A  50
ILE A  51
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-4.3A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.30A 3tq8A-3tq9A:
28.4		 3tq8A-3tq9A:
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A  14
LEU A  46
ASP A  54
PHE A  58
SER A 111
ILE A 164
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
1CY  A 609 ( 4.0A)
1CY  A 609 (-4.3A)
 0.58A 3tq8A-3um6A:
20.8		 3tq8A-3um6A:
15.00
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		7 ALA A   8
ASP A  28
PHE A  32
SER A  56
ILE A  57
ILE A 111
THR A 133
 None
 0.83A 3tq8A-3vcoA:
17.9		 3tq8A-3vcoA:
28.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vx4 PUTATIVE ABC
TRANSPORTER,
ATP-BINDING PROTEIN
COMA

(Streptococcus
mutans) 		PF00005
(ABC_tran) 		5 ILE A 724
ALA A 691
LEU A 675
PHE A 717
ILE A 704
 None
 1.19A 3tq8A-3vx4A:
undetectable		 3tq8A-3vx4A:
21.94
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.
3wsb FARNESYLTRANSFERASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF00494
(SQS_PSY) 		5 ILE A 318
ALA A 290
LEU A 203
ILE A 285
THR A 293
 None
None
RWZ  A 502 (-4.6A)
None
None
 1.23A 3tq8A-3wsbA:
undetectable		 3tq8A-3wsbA:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bru ATP-DEPENDENT RNA
HELICASE DHH1

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ILE A 356
ALA A 286
ILE A 413
ILE A 384
THR A 336
 None
 0.92A 3tq8A-4bruA:
undetectable		 3tq8A-4bruA:
20.05
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.
4c8q DNA TOPOISOMERASE
2-ASSOCIATED PROTEIN
PAT1

(Saccharomyces
cerevisiae) 		PF09770
(PAT1) 		5 ILE H 513
LEU H 562
PHE H 523
ILE H 591
ILE H 551
 None
 1.02A 3tq8A-4c8qH:
undetectable		 3tq8A-4c8qH:
21.62
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.
4d5r A49

(Vaccinia virus) 		PF06489
(Orthopox_A49R) 		5 ILE A 140
LEU A  65
PHE A 101
ILE A  51
ILE A 137
 None
 1.20A 3tq8A-4d5rA:
undetectable		 3tq8A-4d5rA:
26.32
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.
4d7s STHK_CNBD_CGMP

(Spirochaeta
thermophila) 		PF00027
(cNMP_binding) 		5 ILE A 329
ALA A 379
PHE A 366
ILE A 328
THR A 378
 PCG  A1423 (-4.2A)
PCG  A1423 (-3.9A)
None
None
PCG  A1423 (-3.0A)
 1.00A 3tq8A-4d7sA:
undetectable		 3tq8A-4d7sA:
22.93
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.
4f2g ORNITHINE
CARBAMOYLTRANSFERASE
1

(Burkholderia
thailandensis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ILE A  51
LEU A  10
PHE A 117
ILE A 104
THR A 108
 None
 0.81A 3tq8A-4f2gA:
undetectable		 3tq8A-4f2gA:
19.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		8 ILE X  10
ALA X  12
LEU X  25
PHE X  36
SER X  64
ILE X  65
ILE X 123
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-4.5A)
 0.47A 3tq8A-4g8zX:
20.5		 3tq8A-4g8zX:
30.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		7 ILE A   9
ALA A  11
PHE A  36
SER A  61
ILE A  62
ILE A 112
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
14Q  A 202 (-3.9A)
14Q  A 202 ( 4.8A)
14Q  A 202 ( 4.2A)
14Q  A 202 ( 4.6A)
 0.82A 3tq8A-4h96A:
18.2		 3tq8A-4h96A:
30.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		8 ILE A   9
ALA A  11
LEU A  25
PHE A  36
SER A  61
ILE A  62
ILE A 121
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-3.8A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
14Q  A 302 ( 4.0A)
14Q  A 302 (-4.2A)
 0.47A 3tq8A-4h98A:
20.2		 3tq8A-4h98A:
32.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ixo NIFS-LIKE PROTEIN

(Rickettsia
africae) 		PF00266
(Aminotran_5) 		5 ILE A 293
ALA A 298
SER A 346
ILE A 345
ILE A 291
 None
 1.05A 3tq8A-4ixoA:
2.1		 3tq8A-4ixoA:
16.19
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.
4jwp GCN5-RELATED
N-ACETYLTRANSFERASE

(Brucella
abortus) 		PF13420
(Acetyltransf_4) 		5 ALA A   8
ASP A  12
ILE A  98
ILE A   5
THR A   9
 None
None
ACO  A 201 (-4.4A)
None
None
 1.17A 3tq8A-4jwpA:
undetectable		 3tq8A-4jwpA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kha SPT16M-HISTONE H2B
1.1 CHIMERA

(Chaetomium
thermophilum;
Xenopus laevis) 		PF00125
(Histone)
PF08512
(Rtt106)
PF08644
(SPT16) 		5 ILE A 889
LEU A 901
PHE A 821
ILE A 850
ILE A 886
 None
 1.20A 3tq8A-4khaA:
undetectable		 3tq8A-4khaA:
16.42
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.
4kzk L-ARABINOSE ABC
TRANSPORTER,
PERIPLASMIC
L-ARABINOSE-BINDING
PROTEIN

(Burkholderia
thailandensis) 		PF00532
(Peripla_BP_1) 		5 ILE A 143
LEU A 331
ILE A 319
ILE A 283
THR A 314
 None
 1.24A 3tq8A-4kzkA:
undetectable		 3tq8A-4kzkA:
18.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
ASP A  27
PHE A  31
SER A  49
ILE A  94
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.6A)
TMQ  A 202 ( 3.8A)
TMQ  A 202 (-4.2A)
 0.51A 3tq8A-4m2xA:
23.0		 3tq8A-4m2xA:
35.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
LEU A  20
ASP A  27
PHE A  31
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.4A)
 0.23A 3tq8A-4m7vA:
24.8		 3tq8A-4m7vA:
33.69
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.
4ofg CGMP-DEPENDENT
PROTEIN KINASE

(Plasmodium
falciparum) 		PF00027
(cNMP_binding) 		5 ILE A 446
ALA A 494
PHE A 481
ILE A 445
THR A 493
 PCG  A 601 ( 4.4A)
PCG  A 601 (-3.9A)
None
None
PCG  A 601 (-2.7A)
 1.04A 3tq8A-4ofgA:
undetectable		 3tq8A-4ofgA:
23.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
ASP A  27
PHE A  31
SER A  49
ILE A  50
ILE A  94
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.7A)
MTX  A 201 (-4.7A)
MTX  A 201 ( 4.3A)
MTX  A 201 ( 4.5A)
 0.45A 3tq8A-4p68A:
26.3		 3tq8A-4p68A:
43.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qx5 CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
 CMP  A 401 (-4.0A)
CMP  A 401 (-3.7A)
None
None
CMP  A 401 (-2.9A)
 0.98A 3tq8A-4qx5A:
undetectable		 3tq8A-4qx5A:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ywj 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Pseudomonas
aeruginosa) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		5 ILE A   4
ALA A  32
LEU A  63
ILE A  74
THR A  31
 None
 1.13A 3tq8A-4ywjA:
undetectable		 3tq8A-4ywjA:
23.47
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.
4z07 CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
 PCG  A 402 ( 4.0A)
PCG  A 402 (-4.0A)
None
None
PCG  A 402 (-2.7A)
 1.07A 3tq8A-4z07A:
undetectable		 3tq8A-4z07A:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zh7 OUTER MEMBRANE
PROTEIN-ADHESIN

(Helicobacter
pylori) 		no annotation 5 ILE A 311
LEU A 156
PHE A  96
ILE A 300
ILE A 308
 None
 1.16A 3tq8A-4zh7A:
undetectable		 3tq8A-4zh7A:
14.99
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.
5cee NAD-DEPENDENT MALIC
ENZYME

(Aster yellows
witches'-broom
phytoplasma) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ILE A 279
ALA A 304
LEU A 283
ILE A 189
ILE A 256
 None
None
NAD  A 401 (-4.2A)
None
None
 1.23A 3tq8A-5ceeA:
undetectable		 3tq8A-5ceeA:
16.46
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.
5dlq EXPORTIN-4

(Mus musculus) 		no annotation 5 ILE B 159
ALA B 162
SER B 127
ILE B 132
ILE B 137
 None
 1.18A 3tq8A-5dlqB:
undetectable		 3tq8A-5dlqB:
8.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
PHE A  48
SER A  66
ILE A  67
ILE A 111
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.61A 3tq8A-5dxvA:
15.2		 3tq8A-5dxvA:
37.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		5 ILE A   6
ALA A   8
SER A  50
ILE A  51
THR A 114
 None
 0.72A 3tq8A-5fdaA:
19.0		 3tq8A-5fdaA:
46.30
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.
5g06 EXOSOME COMPLEX
COMPONENT RRP4
EXOSOME COMPLEX
COMPONENT RRP42

(Saccharomyces
cerevisiae) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF14382
(ECR1_N)
PF15985
(KH_6) 		5 ILE E  50
SER H   2
ILE H   5
ILE E  34
THR E  38
 None
 1.21A 3tq8A-5g06E:
undetectable		 3tq8A-5g06E:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j48 CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
 6FW  A 404 (-3.5A)
6FW  A 404 (-3.2A)
None
None
6FW  A 404 ( 2.8A)
 1.02A 3tq8A-5j48A:
undetectable		 3tq8A-5j48A:
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.
5jkq PFVFT1

(Plasmodium
falciparum) 		no annotation 5 ILE A 267
ALA A 226
LEU A 257
ILE A 283
ILE A 201
 None
 1.18A 3tq8A-5jkqA:
undetectable		 3tq8A-5jkqA:
20.79
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.
5lmg DNA TOPOISOMERASE
2-ASSOCIATED PROTEIN
PAT1

(Saccharomyces
cerevisiae) 		PF09770
(PAT1) 		5 ILE A 513
LEU A 562
PHE A 523
ILE A 591
ILE A 551
 None
 0.90A 3tq8A-5lmgA:
undetectable		 3tq8A-5lmgA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mlg RENIN

(Rattus
norvegicus) 		no annotation 5 ALA A 263
PHE A 311
SER A 278
ILE A 282
ILE A 272
 None
 1.11A 3tq8A-5mlgA:
undetectable		 3tq8A-5mlgA:
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.
5oei UNCHARACTERIZED
PROTEIN FAMILY
UPF0065:TAT PATHWAY
SIGNAL

(Rhodopseudomonas
palustris) 		no annotation 5 ILE A 101
ALA A 267
LEU A 279
ILE A  61
ILE A 102
 None
 1.18A 3tq8A-5oeiA:
undetectable		 3tq8A-5oeiA:
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
LEU A  23
ASP A  31
PHE A  35
SER A  86
THR A 172
 73X  A 704 (-4.0A)
None
73X  A 704 (-2.8A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.8A)
73X  A 704 (-4.2A)
 0.65A 3tq8A-5t0lA:
21.0		 3tq8A-5t0lA:
17.06
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.
5vf3 CAPSID VERTEX
PROTEIN GP24

(Escherichia
virus T4) 		PF07068
(Gp23) 		5 ILE a  39
ALA a  41
PHE a 271
SER a 265
ILE a 261
 None
 1.19A 3tq8A-5vf3a:
undetectable		 3tq8A-5vf3a:
20.22
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.
5zry ANKYRIN REPEAT AND
SAM
DOMAIN-CONTAINING
PROTEIN 1A,EPHRIN
TYPE-A RECEPTOR 6

(Mus musculus) 		no annotation 5 ILE A 163
LEU A 129
SER A 177
ILE A 178
ILE A 160
 None
 1.21A 3tq8A-5zryA:
undetectable		 3tq8A-5zryA:
16.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cty DIHYDROOROTASE

(Yersinia pestis) 		no annotation 5 ALA A 184
PHE A 157
ILE A 165
ILE A 139
THR A 181
 None
 1.11A 3tq8A-6ctyA:
undetectable		 3tq8A-6ctyA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ILE A   6
ALA A   8
ASP A  28
PHE A  32
SER A  50
ILE A  92
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.2A)
MMV  A 202 (-4.4A)
 0.50A 3tq8A-6cxmA:
22.1		 3tq8A-6cxmA:
28.47
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.
6e4e -

(-) 		no annotation 6 ALA A   7
LEU A  20
ASP A  27
SER A  49
ILE A  50
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
MMV  A 202 (-4.3A)
 0.57A 3tq8A-6e4eA:
25.5		 3tq8A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 5 ILE A 393
ALA A 381
PHE A 453
ILE A 464
ILE A 404
 None
 1.16A 3tq8A-6eotA:
undetectable		 3tq8A-6eotA:
15.47
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.
6ffh METABOTROPIC
GLUTAMATE RECEPTOR
5,ENDOLYSIN

(Escherichia
virus T4;
Homo sapiens) 		no annotation 5 ILE A 636
ALA A 579
ASP A 577
SER A1795
ILE A1799
 OLA  A4004 (-4.6A)
None
None
None
MES  A4005 (-4.1A)
 1.16A 3tq8A-6ffhA:
undetectable		 3tq8A-6ffhA:
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5

(Mus musculus) 		no annotation 5 ALA L 289
SER L 494
ILE L 493
ILE L 414
THR L 288
 None
 1.04A 3tq8A-6g2jL:
undetectable		 3tq8A-6g2jL:
20.83