SIMILAR PATTERNS OF AMINO ACIDS FOR 4QLE_A_FOLA201

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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		8 ALA A   8
ASP A  27
PHE A  31
THR A  47
ILE A  51
ARG A  53
LEU A  55
THR A 121
 None
None
None
SO4  A 200 (-3.7A)
None
None
None
None
 0.74A 4qleA-1cz3A:
20.0		 4qleA-1cz3A:
29.05
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) 		8 ILE A   7
ALA A   9
PHE A  34
THR A  56
ILE A  60
LEU A  67
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
None
None
HBI  A 198 ( 4.5A)
 0.65A 4qleA-1dr6A:
20.3		 4qleA-1dr6A:
33.16
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.
1hdi PHOSPHOGLYCERATE
KINASE

(Sus scrofa) 		PF00162
(PGK) 		5 ALA A 164
PHE A  24
ILE A  46
LEU A  84
THR A 167
 None
None
None
None
3PG  A 419 ( 4.5A)
 1.03A 4qleA-1hdiA:
undetectable		 4qleA-1hdiA:
14.57
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.
1io0 TROPOMODULIN

(Gallus gallus) 		no annotation 5 ILE A 231
LEU A 254
PHE A 229
THR A 186
ILE A 190
 None
 1.15A 4qleA-1io0A:
undetectable		 4qleA-1io0A:
20.60
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		6 ASP A  36
LEU A  37
PHE A  40
LYS A  41
THR A  55
LEU A  63
 None
None
None
None
NDP  A 194 (-3.3A)
None
 1.16A 4qleA-1juvA:
17.4		 4qleA-1juvA:
27.22
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.
1pp1 P40 NUCLEOPROTEIN

(Borna disease
virus) 		PF06407
(BDV_P40) 		5 ASP X 250
LEU X 253
THR X 240
ILE X 241
LEU X 302
 None
 1.01A 4qleA-1pp1X:
undetectable		 4qleA-1pp1X:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u39 AMYLOID BETA A4
PRECURSOR
PROTEIN-BINDING,
FAMILY A, MEMBER 1

(Homo sapiens) 		PF00595
(PDZ) 		5 ILE A 104
PHE A  97
ILE A 151
ARG A  88
LEU A 144
 None
 1.15A 4qleA-1u39A:
undetectable		 4qleA-1u39A:
18.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		8 ILE A   7
ALA A   9
PHE A  34
THR A  56
ILE A  60
LEU A  67
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
None
MTX  A 187 (-4.4A)
 0.53A 4qleA-1u70A:
20.0		 4qleA-1u70A:
33.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		8 ILE A   7
ALA A   9
PHE A  34
THR A  56
ILE A  60
LEU A  67
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 ( 4.7A)
None
None
MXA  A 187 (-4.3A)
 0.50A 4qleA-1u71A:
20.1		 4qleA-1u71A:
32.45
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) 		10 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.46A 4qleA-1zdrA:
24.4		 4qleA-1zdrA:
39.88
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.
2bex RIBONUCLEASE
INHIBITOR

(Homo sapiens) 		PF13516
(LRR_6) 		5 ILE A 181
ALA A 156
ASP A 126
LEU A 129
LEU A 174
 None
 1.02A 4qleA-2bexA:
undetectable		 4qleA-2bexA:
14.38
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ILE A  13
ALA A  15
ASP A  53
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.73A 4qleA-2blbA:
19.5		 4qleA-2blbA:
25.00
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ILE A  13
ALA A  15
ASP A  53
PHE A  57
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.39A 4qleA-2blbA:
19.5		 4qleA-2blbA:
25.00
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  28
ASP A  48
PHE A  52
THR A  80
ILE A  84
LEU A  91
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
NAP  A 523 (-3.5A)
None
None
None
None
 0.57A 4qleA-2h2qA:
19.0		 4qleA-2h2qA:
18.84
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.
2hoe N-ACETYLGLUCOSAMINE
KINASE

(Thermotoga
maritima) 		PF00480
(ROK) 		5 ILE A 323
LEU A 297
THR A 208
ILE A 212
LEU A 247
 None
 1.00A 4qleA-2hoeA:
undetectable		 4qleA-2hoeA:
17.63
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.
2km6 NACHT, LRR AND PYD
DOMAINS-CONTAINING
PROTEIN 7

(Homo sapiens) 		PF02758
(PYRIN) 		5 ILE A  76
ALA A  72
LEU A  12
THR A  43
ILE A  59
 None
 1.15A 4qleA-2km6A:
undetectable		 4qleA-2km6A:
18.47
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.
2l6a NACHT, LRR AND PYD
DOMAINS-CONTAINING
PROTEIN 12

(Homo sapiens) 		PF02758
(PYRIN) 		5 ALA A  53
LEU A  19
THR A  64
ILE A  63
LEU A  12
 None
 1.09A 4qleA-2l6aA:
undetectable		 4qleA-2l6aA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 ALA A  11
ASP A  32
LEU A  33
PHE A  36
THR A  58
ILE A  62
LEU A  67
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
None
MTX  A 605 ( 4.2A)
 0.52A 4qleA-2oipA:
20.7		 4qleA-2oipA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  11
ASP A  32
PHE A  36
THR A  58
LEU A  52
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 3.5A)
None
MTX  A 605 ( 4.2A)
 1.48A 4qleA-2oipA:
20.7		 4qleA-2oipA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p4g HYPOTHETICAL PROTEIN

(Corynebacterium
diphtheriae) 		PF01872
(RibD_C) 		5 ILE A  38
ASP A  61
THR A  81
TYR A 199
THR A 214
 EDO  A 278 (-4.7A)
EDO  A 278 (-3.2A)
EDO  A 284 ( 3.5A)
EDO  A 280 (-4.3A)
None
 0.57A 4qleA-2p4gA:
14.9		 4qleA-2p4gA:
21.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		8 ALA A   8
LEU A  29
LYS A  33
ILE A  51
ARG A  53
LEU A  55
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 3.5A)
MTX  A 200 ( 4.1A)
None
MTX  A 200 ( 4.4A)
 0.59A 4qleA-2qk8A:
24.5		 4qleA-2qk8A:
40.37
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.
2uy3 ENDOCHITINASE

(Saccharomyces
cerevisiae) 		PF00704
(Glyco_hydro_18) 		5 ILE A 273
ALA A 271
LEU A 307
ILE A 260
LEU A 248
 None
 0.97A 4qleA-2uy3A:
undetectable		 4qleA-2uy3A:
19.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 ALA A  11
ASP A  31
LEU A  32
LEU A  54
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
None
None
VG9  A1168 ( 4.7A)
 1.39A 4qleA-2w3wA:
24.1		 4qleA-2w3wA:
33.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		8 ALA A  11
ASP A  31
LEU A  32
PHE A  35
THR A  50
LEU A  61
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
None
VG9  A1168 ( 4.7A)
 0.31A 4qleA-2w3wA:
24.1		 4qleA-2w3wA:
33.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		5 PHE A  35
LYS A  36
THR A  50
LEU A  61
TYR A 108
 VG9  A1168 (-3.9A)
VG9  A1168 ( 4.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
None
 1.04A 4qleA-2w3wA:
24.1		 4qleA-2w3wA:
33.92
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) 		5 ALA A   7
ASP A  27
THR A  46
LEU A  40
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
None
TOP  A1160 ( 4.5A)
 1.06A 4qleA-2w9sA:
24.7		 4qleA-2w9sA:
37.89
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
ASP A  27
LEU A  28
LYS A  32
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.74A 4qleA-2w9sA:
24.7		 4qleA-2w9sA:
37.89
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) 		9 ILE A   5
ALA A   7
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.46A 4qleA-2w9sA:
24.7		 4qleA-2w9sA:
37.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a1t IRON(II) TRANSPORT
PROTEIN B

(Thermotoga
maritima) 		PF02421
(FeoB_N) 		5 ILE A  65
LEU A  21
ILE A 125
LEU A  97
THR A  37
 None
 1.09A 4qleA-3a1tA:
undetectable		 4qleA-3a1tA:
21.22
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.
3cl6 PUUE ALLANTOINASE

(Pseudomonas
fluorescens) 		PF01522
(Polysacc_deac_1) 		5 ILE A  95
ALA A  92
PHE A  90
ILE A 263
LEU A 258
 None
 1.10A 4qleA-3cl6A:
undetectable		 4qleA-3cl6A:
19.86
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.
3dfh MANDELATE RACEMASE

(Vibrionales
bacterium
SWAT-3) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  66
THR A 290
ILE A 289
LEU A 111
THR A   6
 None
 1.07A 4qleA-3dfhA:
undetectable		 4qleA-3dfhA:
18.62
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		7 ALA A   6
ASP A  26
LEU A  27
PHE A  30
THR A  45
LEU A  54
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.3A)
 0.51A 4qleA-3dfrA:
23.3		 4qleA-3dfrA:
28.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		8 ILE A  14
ALA A  16
ASP A  54
PHE A  58
ILE A 112
LEU A 119
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.3A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.64A 4qleA-3dg8A:
19.7		 4qleA-3dg8A:
23.05
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.
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis) 		PF01266
(DAO) 		5 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
 None
None
FAD  A 500 (-3.8A)
None
None
 0.92A 4qleA-3dmeA:
undetectable		 4qleA-3dmeA:
16.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3etn PUTATIVE
PHOSPHOSUGAR
ISOMERASE INVOLVED
IN CAPSULE FORMATION

(Bacteroides
fragilis) 		PF01380
(SIS) 		5 ILE A  54
LEU A 167
THR A 140
ILE A  19
THR A  45
 None
 1.12A 4qleA-3etnA:
undetectable		 4qleA-3etnA:
18.55
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) 		8 ALA X   7
ASP X  27
LEU X  28
LYS X  32
THR X  46
ILE X  50
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
None
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
N22  X 219 (-4.4A)
 0.63A 4qleA-3i8aX:
25.0		 4qleA-3i8aX:
36.88
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
ASP X  27
LEU X  28
THR X  46
LEU X  40
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
NDP  X 207 (-3.2A)
None
N22  X 219 (-4.4A)
 1.34A 4qleA-3i8aX:
25.0		 4qleA-3i8aX:
36.88
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) 		8 ALA X   7
ASP X  27
LYS X  32
THR X  46
ILE X  50
LEU X  54
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
None
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.62A 4qleA-3i8aX:
25.0		 4qleA-3i8aX:
36.88
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) 		6 ALA A   7
PHE A  32
LYS A  33
THR A  47
ILE A  51
LEU A  55
 NDP  A 163 ( 3.9A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.2A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
 1.26A 4qleA-3ia4A:
27.5		 4qleA-3ia4A:
55.21
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) 		11 ILE A   6
ALA A   8
LEU A  29
PHE A  32
LYS A  33
THR A  47
ILE A  51
ARG A  53
LEU A  55
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.2A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.8A)
MTX  A 164 ( 4.4A)
None
MTX  A 164 (-4.3A)
 0.55A 4qleA-3ia4A:
27.5		 4qleA-3ia4A:
55.21
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 ALA A  10
LEU A  31
THR A  49
ARG A  56
LEU A  58
 MTX  A 200 (-3.8A)
MTX  A 200 ( 4.1A)
NDP  A 193 (-3.4A)
None
MTX  A 200 ( 4.0A)
 1.10A 4qleA-3ix9A:
24.0		 4qleA-3ix9A:
35.26
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) 		8 ILE A   8
ALA A  10
LEU A  31
PHE A  34
LYS A  35
THR A  49
LEU A  58
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.4A)
MTX  A 200 (-4.1A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.66A 4qleA-3ix9A:
24.0		 4qleA-3ix9A:
35.26
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.
3jaf GLYCINE RECEPTOR
SUBUNIT ALPHAZ1

(Danio rerio) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		5 ILE A 169
LEU A 211
ILE A  59
LEU A 172
TYR A  74
 None
 1.15A 4qleA-3jafA:
undetectable		 4qleA-3jafA:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kao TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE

(Staphylococcus
aureus) 		PF01791
(DeoC) 		5 ALA A  57
PHE A  26
ILE A  49
LEU A  32
THR A  61
 None
 1.07A 4qleA-3kaoA:
undetectable		 4qleA-3kaoA:
19.57
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  16
ASP A  37
THR A  69
ILE A  73
LEU A  80
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
NAP  A 512 (-3.6A)
None
None
None
None
 0.65A 4qleA-3kjrA:
20.4		 4qleA-3kjrA:
16.28
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.
3mb8 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Toxoplasma
gondii) 		PF01048
(PNP_UDP_1) 		5 ALA A 116
LEU A 207
THR A 203
ILE A  92
LEU A 143
 None
 1.05A 4qleA-3mb8A:
undetectable		 4qleA-3mb8A:
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.
3mgb TEG12

(uncultured soil
bacterium) 		PF00685
(Sulfotransfer_1) 		5 ILE A 196
ALA A 176
LEU A 170
PHE A 178
LEU A  22
 None
 1.14A 4qleA-3mgbA:
undetectable		 4qleA-3mgbA:
19.44
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.
3nyi FAT ACID-BINDING
PROTEIN

(Eubacterium
ventriosum) 		PF02645
(DegV) 		5 ILE A 287
ALA A 129
ILE A 119
LEU A 152
THR A 265
 None
 1.04A 4qleA-3nyiA:
undetectable		 4qleA-3nyiA:
20.34
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.
3oc6 6-PHOSPHOGLUCONOLACT
ONASE

(Mycolicibacterium
smegmatis) 		PF01182
(Glucosamine_iso) 		5 ALA A 223
THR A   4
ILE A   6
ARG A   8
LEU A 244
 None
 1.04A 4qleA-3oc6A:
undetectable		 4qleA-3oc6A:
20.25
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 ALA A  34
ASP A  54
LEU A  90
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 (-4.8A)
None
WRA  A 602 (-4.2A)
 0.97A 4qleA-3rg9A:
19.2		 4qleA-3rg9A:
28.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		7 ALA A  34
ASP A  54
PHE A  58
THR A  86
LEU A  97
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
None
None
WRA  A 602 (-4.2A)
 0.32A 4qleA-3rg9A:
19.2		 4qleA-3rg9A:
28.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rmt 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE 1

(Bacillus
halodurans) 		PF00275
(EPSP_synthase) 		5 ILE A  67
LEU A  37
THR A  99
ILE A 103
THR A  42
 None
 1.08A 4qleA-3rmtA:
undetectable		 4qleA-3rmtA:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s5u PUTATIVE
UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF09711
(Cas_Csn2) 		5 ILE A 135
ALA A 132
PHE A 130
ILE A  97
LEU A  87
 None
 1.02A 4qleA-3s5uA:
undetectable		 4qleA-3s5uA:
22.03
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.
3tkt CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		5 ALA A 157
ASP A 154
PHE A 155
ILE A 143
LEU A 396
 None
 1.06A 4qleA-3tktA:
undetectable		 4qleA-3tktA:
16.82
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) 		5 ALA A   7
PHE A  32
THR A  47
ILE A  51
LEU A  55
 NDP  A1001 ( 4.1A)
MTX  A2001 (-4.3A)
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
 1.09A 4qleA-3tq9A:
24.8		 4qleA-3tq9A:
43.37
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) 		10 ILE A   6
ALA A   8
ASP A  28
LEU A  29
PHE A  32
LYS A  33
THR A  47
ILE A  51
LEU A  55
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
None
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-4.3A)
 0.47A 4qleA-3tq9A:
24.8		 4qleA-3tq9A:
43.37
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) 		5 ILE A 113
ALA A   8
ASP A  28
ILE A  41
THR A 115
 None
MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
None
MTX  A2001 (-4.3A)
 1.01A 4qleA-3tq9A:
24.8		 4qleA-3tq9A:
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ASP A  54
THR A 108
ILE A 112
LEU A 119
THR A 185
 1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 (-4.3A)
 0.77A 4qleA-3um6A:
19.7		 4qleA-3um6A:
13.23
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A  14
ASP A  54
PHE A  58
THR A 108
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
1CY  A 609 (-4.3A)
 0.44A 4qleA-3um6A:
19.7		 4qleA-3um6A:
13.23
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		9 ALA A   8
ASP A  28
PHE A  32
LYS A  33
THR A  53
ILE A  57
LEU A  64
TYR A 117
THR A 133
 None
None
None
None
SO4  A 201 (-3.7A)
None
None
None
None
 0.91A 4qleA-3vcoA:
18.8		 4qleA-3vcoA:
29.85
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.
3zxy SUBTILISIN-LIKE
PROTEIN

(Prochloron
didemni) 		PF00082
(Peptidase_S8) 		5 ALA A 150
THR A 124
LEU A 133
TYR A 190
THR A 221
 None
 1.11A 4qleA-3zxyA:
undetectable		 4qleA-3zxyA:
21.43
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.
3zyp CIP1

(Trichoderma
reesei) 		no annotation 5 ILE A  87
THR A 153
ILE A 151
LEU A 145
THR A  85
 None
None
None
None
PEG  A1224 (-3.2A)
 1.13A 4qleA-3zypA:
undetectable		 4qleA-3zypA:
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.
4c2f CARBOXY-TERMINAL
PROCESSING PROTEASE
CTPB

(Bacillus
subtilis) 		PF01471
(PG_binding_1)
PF03572
(Peptidase_S41)
PF13180
(PDZ_2) 		5 ALA A 204
LEU A 245
THR A 226
ILE A 263
LEU A 314
 None
 1.12A 4qleA-4c2fA:
undetectable		 4qleA-4c2fA:
16.44
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.
4eq9 ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN-AMINO ACID
TRANSPORT

(Streptococcus
pneumoniae) 		PF00497
(SBP_bac_3) 		5 ASP A  94
LEU A  93
PHE A  90
THR A 108
LEU A 105
 None
None
None
None
GSH  A 301 (-4.7A)
 1.11A 4qleA-4eq9A:
undetectable		 4qleA-4eq9A:
20.88
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.
4fho INTERNALIN C2

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13516
(LRR_6) 		5 LEU A  53
PHE A  48
THR A  61
ILE A  78
LEU A  97
 None
 1.14A 4qleA-4fhoA:
undetectable		 4qleA-4fhoA:
21.94
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
PHE X  36
THR X  61
ILE X  65
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.53A 4qleA-4g8zX:
19.6		 4qleA-4g8zX:
30.05
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.
4ga4 PUTATIVE THYMIDINE
PHOSPHORYLASE

(Thermococcus
kodakarensis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 ILE A 469
ALA A 437
LEU A 452
PHE A 467
THR A 487
 None
 1.11A 4qleA-4ga4A:
undetectable		 4qleA-4ga4A:
15.87
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.
4h6w N-TERMINAL
CYANOBACTIN PROTEASE

(Planktothrix
agardhii) 		PF00082
(Peptidase_S8) 		5 ALA A 153
THR A 127
LEU A 136
TYR A 193
THR A 224
 None
 1.12A 4qleA-4h6wA:
undetectable		 4qleA-4h6wA:
21.12
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) 		9 ILE A   9
ALA A  11
PHE A  36
LYS A  37
THR A  58
ILE A  62
LEU A  69
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
None
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
None
14Q  A 202 ( 4.6A)
 0.78A 4qleA-4h96A:
17.5		 4qleA-4h96A:
31.79
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		8 ILE A   9
ALA A  11
PHE A  36
THR A  58
ILE A  62
LEU A  69
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-3.8A)
NDP  A 301 (-3.5A)
14Q  A 302 (-4.2A)
None
None
14Q  A 302 (-4.2A)
 0.48A 4qleA-4h98A:
18.3		 4qleA-4h98A:
26.79
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.
4hnl MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Enterococcus
gallinarum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  64
THR A 288
ILE A 287
LEU A 109
THR A   4
 None
 0.99A 4qleA-4hnlA:
undetectable		 4qleA-4hnlA:
15.60
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) 		5 ALA A   7
ASP A  27
LEU A  50
TYR A 100
THR A 113
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
None
None
TMQ  A 202 (-4.2A)
 1.06A 4qleA-4m2xA:
22.5		 4qleA-4m2xA:
34.91
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) 		8 ILE A   5
ALA A   7
ASP A  27
PHE A  31
THR A  46
LEU A  57
TYR A 100
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 (-3.4A)
None
None
TMQ  A 202 (-4.2A)
 0.34A 4qleA-4m2xA:
22.5		 4qleA-4m2xA:
34.91
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 ALA A   7
ASP A  27
PHE A  31
THR A  46
LEU A  40
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
None
RAR  A 200 (-4.4A)
 1.23A 4qleA-4m7vA:
23.5		 4qleA-4m7vA:
37.14
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) 		7 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PHE A  31
LEU A  55
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 (-4.4A)
 0.63A 4qleA-4m7vA:
23.5		 4qleA-4m7vA:
37.14
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) 		7 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PHE A  31
THR A  46
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.4A)
 0.36A 4qleA-4m7vA:
23.5		 4qleA-4m7vA:
37.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
 None
 1.13A 4qleA-4na3A:
undetectable		 4qleA-4na3A:
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.
4ndk E23P-YFP, GFP-LIKE
FLUORESCENT
CHROMOPROTEIN FP506,
RELATED, CHIMERIC
CONSTRUCT,

(Eimeria
acervulina;
Aequorea
victoria) 		PF00046
(Homeobox)
PF01353
(GFP) 		6 ALA A 163
LEU A 117
ILE A  67
LEU A  95
TYR A 145
THR A 161
 None
CR2  A 118 ( 4.1A)
None
None
None
None
 1.42A 4qleA-4ndkA:
undetectable		 4qleA-4ndkA:
20.37
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.
4ook METHIONINE
AMINOPEPTIDASE 2

(Mycobacterium
tuberculosis) 		PF00557
(Peptidase_M24) 		5 ILE A 112
LEU A   7
THR A 146
ILE A 127
THR A 256
 NA  A 304 (-4.8A)
None
None
None
None
 1.14A 4qleA-4ookA:
undetectable		 4qleA-4ookA:
23.16
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.
4ovk PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		5 ILE A 300
PHE A  96
LYS A  97
ILE A  83
LEU A 103
 None
 1.09A 4qleA-4ovkA:
undetectable		 4qleA-4ovkA:
21.09
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) 		9 ILE A   5
ALA A   7
ASP A  27
PHE A  31
LYS A  32
THR A  46
ILE A  50
TYR A 100
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 ( 3.9A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
None
MTX  A 201 ( 4.5A)
 0.35A 4qleA-4p68A:
29.3		 4qleA-4p68A:
97.48
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.
4twi NAD-DEPENDENT
PROTEIN DEACYLASE 1

(Archaeoglobus
fulgidus) 		PF02146
(SIR2) 		5 ALA A 221
THR A   8
ILE A   9
LEU A 236
THR A 218
 None
 1.06A 4qleA-4twiA:
undetectable		 4qleA-4twiA:
18.80
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.
4z37 PUTATIVE MIXED
POLYKETIDE
SYNTHASE/NON-RIBOSOM
AL PEPTIDE
SYNTHETASE

(Brevibacillus
brevis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ILE A2678
ALA A2502
LEU A2568
ILE A2756
LEU A2685
 None
 1.06A 4qleA-4z37A:
undetectable		 4qleA-4z37A:
12.80
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.
4z7y DIPHOSPHOMEVALONATE
DECARBOXYLASE

(Sulfolobus
solfataricus) 		PF00288
(GHMP_kinases_N) 		5 ILE A 181
ALA A 276
LEU A 178
ILE A  13
LEU A  39
 None
 1.13A 4qleA-4z7yA:
undetectable		 4qleA-4z7yA:
20.37
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 ILE A1419
LEU A1409
THR A1576
ILE A1581
LEU A1376
 None
 0.91A 4qleA-5a31A:
undetectable		 4qleA-5a31A:
8.41
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) 		8 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.36A 4qleA-5dxvA:
17.6		 4qleA-5dxvA:
68.54
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) 		8 ILE A   5
LEU A  45
PHE A  48
THR A  63
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.71A 4qleA-5dxvA:
17.6		 4qleA-5dxvA:
68.54
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) 		7 ILE A   6
ALA A   8
THR A  47
ILE A  51
LEU A  55
TYR A 101
THR A 114
 None
 0.55A 4qleA-5fdaA:
19.9		 4qleA-5fdaA:
80.00
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.
5h7n NLRP12-PYD WITH MBP
TAG

(Homo sapiens) 		PF02758
(PYRIN)
PF13416
(SBP_bac_8) 		5 ALA A 416
LEU A 382
THR A 427
ILE A 426
LEU A 375
 None
 1.08A 4qleA-5h7nA:
undetectable		 4qleA-5h7nA:
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.
5k3h ACYL-COENZYME A
OXIDASE

(Caenorhabditis
elegans) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		5 ILE A 108
ALA A 427
ILE A 312
ARG A 315
LEU A 625
 None
 1.13A 4qleA-5k3hA:
undetectable		 4qleA-5k3hA:
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.
5lcw ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 ILE A1419
LEU A1409
THR A1576
ILE A1581
LEU A1376
 None
 0.85A 4qleA-5lcwA:
undetectable		 4qleA-5lcwA:
6.06
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.
5lh9 OMEGA TRANSAMINASE

(Pseudomonas sp.) 		PF00202
(Aminotran_3) 		5 ALA A 118
LEU A 297
THR A 287
LEU A  93
THR A 121
 None
 1.09A 4qleA-5lh9A:
undetectable		 4qleA-5lh9A:
14.57
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.
5nof ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Thermococcus
kodakarensis) 		no annotation 5 ILE A 171
ALA A  56
LEU A  21
ILE A  33
LEU A  37
 None
 1.14A 4qleA-5nofA:
undetectable		 4qleA-5nofA:
22.73
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  10
ASP A  31
PHE A  35
THR A  83
LEU A  94
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.2A)
None
None
73X  A 704 (-4.2A)
 0.27A 4qleA-5t0lA:
20.6		 4qleA-5t0lA:
13.60
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.
6aon DIHYDROLIPOYL
DEHYDROGENASE

(Bordetella
pertussis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 241
ALA A 235
PHE A 218
THR A 362
ILE A 366
 None
 1.15A 4qleA-6aonA:
undetectable		 4qleA-6aonA:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 8 ILE A   6
ALA A   8
ASP A  28
LEU A  29
PHE A  32
THR A  47
LEU A  58
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.4A)
 0.72A 4qleA-6cxmA:
21.1		 4qleA-6cxmA:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 9 ILE A   6
ALA A   8
ASP A  28
PHE A  32
LYS A  33
THR A  47
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.43A 4qleA-6cxmA:
21.1		 4qleA-6cxmA:
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.
6e4e -

(-) 		no annotation 7 ALA A   7
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.55A 4qleA-6e4eA:
24.9		 4qleA-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.
6e4e -

(-) 		no annotation 5 ALA A   7
ASP A  27
THR A  46
LEU A  40
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
None
MMV  A 202 (-4.3A)
 1.15A 4qleA-6e4eA:
24.9		 4qleA-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.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 5 ALA A  56
THR A 440
ILE A  42
ARG A  39
LEU A  87
 None
 1.02A 4qleA-6frvA:
undetectable		 4qleA-6frvA:
undetectable