SIMILAR PATTERNS OF AMINO ACIDS FOR 1RX7_A_FOLA161_0

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
LEU A  55
ILE A 100
THR A 121
 None
None
None
SO4  A 200 (-3.7A)
None
None
None
None
 0.39A 1rx7A-1cz3A:
19.8		 1rx7A-1cz3A:
29.05
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.
1dab P.69 PERTACTIN

(Bordetella
pertussis) 		PF03212
(Pertactin) 		5 ILE A 201
ALA A 184
ILE A 287
LEU A 273
ILE A 224
 None
 0.93A 1rx7A-1dabA:
undetectable		 1rx7A-1dabA:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT

(Escherichia
coli) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		5 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.94A 1rx7A-1ddgA:
undetectable		 1rx7A-1ddgA:
19.73
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)
 0.55A 1rx7A-1dr6A:
19.7		 1rx7A-1dr6A:
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.
1ja9 1,3,6,8-TETRAHYDROXY
NAPHTHALENE
REDUCTASE

(Magnaporthe
grisea) 		PF13561
(adh_short_C2) 		5 ALA A  37
LEU A  49
THR A 162
ILE A 206
ILE A  41
 None
None
NDP  A 402 (-4.2A)
None
NDP  A 402 (-4.0A)
 0.98A 1rx7A-1ja9A:
undetectable		 1rx7A-1ja9A:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		6 ASP A  36
LEU A  37
PHE A  40
THR A  55
LEU A  63
ILE A 127
 None
None
None
NDP  A 194 (-3.3A)
None
None
 0.84A 1rx7A-1juvA:
16.6		 1rx7A-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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		6 ASP A  36
PHE A  40
LYS A  41
THR A  55
LEU A  63
ILE A 127
 None
None
None
NDP  A 194 (-3.3A)
None
None
 1.15A 1rx7A-1juvA:
16.6		 1rx7A-1juvA:
27.22
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 1rx7A-1u70A:
19.4		 1rx7A-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)
 0.53A 1rx7A-1u71A:
19.3		 1rx7A-1u71A:
32.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v5l PDZ AND LIM DOMAIN 3
ACTININ ALPHA 2
ASSOCIATED LIM
PROTEIN

(Mus musculus) 		PF00595
(PDZ) 		5 ALA A  55
LEU A  80
ILE A  33
LEU A  47
ILE A  84
 None
 0.91A 1rx7A-1v5lA:
undetectable		 1rx7A-1v5lA:
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.
1z26 ARGONAUTE

(Pyrococcus
furiosus) 		PF02171
(Piwi)
PF12212
(PAZ_siRNAbind) 		6 ILE A 311
LEU A  93
LYS A  97
ILE A 143
LEU A 106
ILE A 312
 None
 1.20A 1rx7A-1z26A:
undetectable		 1rx7A-1z26A:
11.50
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) 		11 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
ILE A  96
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
None
 0.53A 1rx7A-1zdrA:
23.6		 1rx7A-1zdrA:
40.49
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		9 ILE A  13
ALA A  15
ASP A  53
PHE A  57
ILE A 121
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.53A 1rx7A-2blbA:
19.0		 1rx7A-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.
2bv7 GLYCOLIPID TRANSFER
PROTEIN

(Bos taurus) 		PF08718
(GLTP) 		5 ILE A  18
LEU A  24
PHE A  23
LEU A 101
ILE A 194
 None
 0.86A 1rx7A-2bv7A:
undetectable		 1rx7A-2bv7A:
19.23
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.
2dkd PHOSPHOACETYLGLUCOSA
MINE MUTASE

(Candida
albicans) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		5 ILE A 339
PHE A 327
ILE A 404
LEU A 421
ILE A 382
 None
 0.93A 1rx7A-2dkdA:
undetectable		 1rx7A-2dkdA:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f7n DNA-BINDING STRESS
RESPONSE PROTEIN,
DPS FAMILY

(Deinococcus
radiodurans) 		PF00210
(Ferritin) 		6 ILE A 102
PHE A  79
LYS A  78
THR A 189
ILE A 190
ILE A 105
 None
 1.19A 1rx7A-2f7nA:
undetectable		 1rx7A-2f7nA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 ALA A  28
ASP A  48
PHE A  52
THR A  80
ILE A  84
LEU A  91
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
NAP  A 523 (-3.5A)
None
None
None
None
None
 0.59A 1rx7A-2h2qA:
18.2		 1rx7A-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.
2iou PERTACTIN
EXTRACELLULAR DOMAIN

(Bordetella
bronchiseptica) 		PF03212
(Pertactin) 		5 ILE G 238
ALA G 221
ILE G 319
LEU G 305
ILE G 261
 None
 0.98A 1rx7A-2iouG:
undetectable		 1rx7A-2iouG:
14.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iwo MULTIPLE PDZ DOMAIN
PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 LEU A1879
THR A1893
ILE A1888
LEU A1905
ILE A1862
 None
 1.01A 1rx7A-2iwoA:
undetectable		 1rx7A-2iwoA:
22.49
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.
2kbf ATP-DEPENDENT RNA
HELICASE DBP5

(Saccharomyces
cerevisiae) 		PF00271
(Helicase_C) 		6 ALA A 436
LEU A 321
THR A 386
ILE A 385
LEU A 350
ILE A 334
 None
 1.30A 1rx7A-2kbfA:
undetectable		 1rx7A-2kbfA:
22.50
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.
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)
 0.53A 1rx7A-2oipA:
19.4		 1rx7A-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)
 1.45A 1rx7A-2oipA:
19.4		 1rx7A-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.
2p2e PUTATIVE FE-S
BIOSYNTHESIS PROTEIN

(Lactobacillus
salivarius) 		PF01521
(Fe-S_biosyn) 		5 ILE A   5
PHE A  75
ILE A 116
LEU A  15
ILE A  91
 None
 1.01A 1rx7A-2p2eA:
undetectable		 1rx7A-2p2eA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.61A 1rx7A-2p4gA:
14.6		 1rx7A-2p4gA:
21.97
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) 		7 ALA A   8
LEU A  29
LYS A  33
ILE A  51
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 ( 4.1A)
None
MTX  A 200 ( 4.4A)
 0.70A 1rx7A-2qk8A:
23.6		 1rx7A-2qk8A:
40.99
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) 		9 ALA A  11
ASP A  31
LEU A  32
PHE A  35
THR A  50
LEU A  61
ILE A 102
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)
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 0.45A 1rx7A-2w3wA:
22.7		 1rx7A-2w3wA:
34.50
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 PHE A  35
LYS A  36
THR A  50
ILE A 102
TYR A 108
THR A 121
 VG9  A1168 (-3.9A)
VG9  A1168 ( 4.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 1.02A 1rx7A-2w3wA:
22.7		 1rx7A-2w3wA:
34.50
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)
 0.56A 1rx7A-2w9sA:
23.5		 1rx7A-2w9sA:
38.51
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 ILE A   5
ALA A   7
ASP A  27
LYS A  32
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
TOP  A1160 ( 4.5A)
 0.90A 1rx7A-2w9sA:
23.5		 1rx7A-2w9sA:
38.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE

(Escherichia
coli) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ILE A 154
LEU A 160
LYS A 159
ILE A 270
THR A 307
 None
 0.99A 1rx7A-2xf8A:
undetectable		 1rx7A-2xf8A:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xwb COMPLEMENT FACTOR B

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin)
PF00092
(VWA) 		5 ALA F 307
ILE F 217
LEU F 213
ILE F 246
THR F 311
 None
 0.97A 1rx7A-2xwbF:
undetectable		 1rx7A-2xwbF:
12.09
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.
3aeb SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR SUBUNIT,
MITOCHONDRIAL

(Sus scrofa) 		PF13085
(Fer2_3)
PF13534
(Fer4_17) 		5 ALA B  84
LEU B 111
PHE B  61
ILE B  51
ILE B  49
 None
 0.90A 1rx7A-3aebB:
undetectable		 1rx7A-3aebB:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ako VENUS

(Plant
transformation
vector
pSITEII-4C1) 		PF01353
(GFP) 		6 ALA A 110
LEU A  64
ILE A  14
LEU A  42
TYR A  92
THR A 108
 None
CR2  A  66 ( 4.4A)
None
None
None
None
 1.34A 1rx7A-3akoA:
undetectable		 1rx7A-3akoA:
20.65
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.
3b8z PROTEIN ADAMTS-5

(Homo sapiens) 		PF01421
(Reprolysin) 		5 ALA A 298
LEU A 271
ILE A 387
LEU A 472
ILE A 311
 None
 0.97A 1rx7A-3b8zA:
undetectable		 1rx7A-3b8zA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.01A 1rx7A-3dfhA:
undetectable		 1rx7A-3dfhA:
18.88
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.
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)
 0.56A 1rx7A-3dfrA:
22.2		 1rx7A-3dfrA:
29.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.52A 1rx7A-3dg8A:
19.1		 1rx7A-3dg8A:
22.70
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.
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
 1.01A 1rx7A-3dmeA:
undetectable		 1rx7A-3dmeA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e0r C3-DEGRADING
PROTEINASE (CPPA
PROTEIN)

(Streptococcus
pneumoniae) 		PF14506
(CppA_N)
PF14507
(CppA_C) 		5 ALA A  72
LEU A 193
ILE A 150
LEU A  52
ILE A 116
 None
 1.02A 1rx7A-3e0rA:
undetectable		 1rx7A-3e0rA:
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 ALA A 615
LEU A 680
ILE A 667
LEU A 754
ILE A 693
 None
 0.92A 1rx7A-3ecqA:
undetectable		 1rx7A-3ecqA:
7.46
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.
3hzr TRYPTOPHANYL-TRNA
SYNTHETASE

(Entamoeba
histolytica) 		PF00579
(tRNA-synt_1b) 		5 ASP A 118
THR A 379
ILE A 376
LEU A 372
ILE A 155
 None
 0.98A 1rx7A-3hzrA:
undetectable		 1rx7A-3hzrA:
16.49
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) 		9 ALA X   7
ASP X  27
LEU X  28
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)
N22  X 219 (-4.4A)
None
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.78A 1rx7A-3i8aX:
23.6		 1rx7A-3i8aX:
37.50
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
LEU A  55
ILE A  96
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 ( 4.4A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.55A 1rx7A-3ia4A:
25.6		 1rx7A-3ia4A:
55.83
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 LEU A  29
PHE A  32
LYS A  33
ILE A  51
LEU A  55
ILE A  41
 MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.2A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
None
 1.46A 1rx7A-3ia4A:
25.6		 1rx7A-3ia4A:
55.83
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) 		7 ILE A   8
ALA A  10
LEU A  31
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 (-4.1A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.65A 1rx7A-3ix9A:
23.3		 1rx7A-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) 		7 ILE A   8
ALA A  10
LEU A  31
PHE A  34
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)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.62A 1rx7A-3ix9A:
23.3		 1rx7A-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.
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
 0.50A 1rx7A-3kjrA:
19.5		 1rx7A-3kjrA:
16.49
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.
3lor THIOL-DISULFIDE
ISOMERASE AND
THIOREDOXINS

(Corynebacterium
glutamicum) 		PF00578
(AhpC-TSA) 		5 ILE A  60
LEU A 153
ILE A 124
LEU A 146
ILE A  56
 None
 0.86A 1rx7A-3lorA:
undetectable		 1rx7A-3lorA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n7z ACETYLTRANSFERASE,
GNAT FAMILY

(Bacillus
anthracis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 ILE A 343
ALA A 345
LEU A 307
LEU A 291
ILE A 284
 None
 0.96A 1rx7A-3n7zA:
undetectable		 1rx7A-3n7zA:
17.22
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		8 ALA A  34
ASP A  54
PHE A  58
THR A  86
LEU A  97
ILE A 160
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
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.51A 1rx7A-3rg9A:
18.0		 1rx7A-3rg9A:
27.92
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.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		5 ILE A 684
ALA A 674
LEU A 689
ILE A 624
LEU A 634
 None
 1.01A 1rx7A-3s1sA:
undetectable		 1rx7A-3s1sA:
11.26
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.
3s47 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Clostridium
beijerinckii) 		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
 0.88A 1rx7A-3s47A:
undetectable		 1rx7A-3s47A:
16.92
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.
3tkt CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		5 ALA A 157
ASP A 154
PHE A 155
ILE A 143
LEU A 396
 None
 1.02A 1rx7A-3tktA:
undetectable		 1rx7A-3tktA:
16.59
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) 		7 ILE A   6
ALA A   8
ASP A  28
LEU A  29
LYS A  33
ILE A  51
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
None
MTX  A2001 (-4.3A)
MTX  A2001 (-4.3A)
 0.68A 1rx7A-3tq9A:
23.4		 1rx7A-3tq9A:
43.98
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
THR A  47
ILE A  51
LEU A  55
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.44A 1rx7A-3tq9A:
23.4		 1rx7A-3tq9A:
43.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u3g RIBONUCLEASE H

(uncultured
organism) 		no annotation 5 ILE D  25
LEU D  57
LEU D  67
ILE D   4
THR D   8
 None
 0.78A 1rx7A-3u3gD:
undetectable		 1rx7A-3u3gD:
20.92
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 ILE A  14
ASP A  54
PHE A  58
THR A 108
ILE A 112
LEU A 119
ILE A 164
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)
1CY  A 609 (-4.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.69A 1rx7A-3um6A:
19.1		 1rx7A-3um6A:
13.05
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		9 ALA A   8
ASP A  28
PHE A  32
THR A  53
ILE A  57
LEU A  64
ILE A 111
TYR A 117
THR A 133
 None
None
None
SO4  A 201 (-3.7A)
None
None
None
None
None
 0.72A 1rx7A-3vcoA:
18.8		 1rx7A-3vcoA:
29.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		9 ASP A  28
PHE A  32
LYS A  33
THR A  53
ILE A  57
LEU A  64
ILE A 111
TYR A 117
THR A 133
 None
None
None
SO4  A 201 (-3.7A)
None
None
None
None
None
 0.77A 1rx7A-3vcoA:
18.8		 1rx7A-3vcoA:
29.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wlx LOW SPECIFICITY
L-THREONINE ALDOLASE

(Escherichia
coli) 		no annotation 6 ILE B 170
LEU B 249
PHE B 171
LEU B 242
ILE B 193
THR B 138
 None
 1.21A 1rx7A-3wlxB:
undetectable		 1rx7A-3wlxB:
18.99
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.
4ay9 FOLLICLE-STIMULATING
HORMONE RECEPTOR

(Homo sapiens) 		PF01462
(LRRNT)
PF12369
(GnHR_trans)
PF13306
(LRR_5) 		5 ILE X 132
THR X 159
ILE X 160
LEU X 177
ILE X 157
 None
 0.93A 1rx7A-4ay9X:
undetectable		 1rx7A-4ay9X:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1rx7A-4bruA:
undetectable		 1rx7A-4bruA:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c23 L-FUCULOSE KINASE
FUCK

(Streptococcus
pneumoniae) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ILE A 298
THR A 333
ILE A 331
LEU A 348
ILE A 297
 None
 0.94A 1rx7A-4c23A:
undetectable		 1rx7A-4c23A:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fs7 UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF13306
(LRR_5) 		5 ILE A 377
LEU A 388
PHE A 382
ILE A 345
ILE A 354
 None
 1.02A 1rx7A-4fs7A:
undetectable		 1rx7A-4fs7A:
16.75
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.
4fye SIDF, INHIBITOR OF
GROWTH FAMILY,
MEMBER 3

(Legionella
pneumophila) 		no annotation 5 ILE A 119
ASP A  69
ILE A  78
LEU A 151
ILE A 115
 None
 0.78A 1rx7A-4fyeA:
undetectable		 1rx7A-4fyeA:
13.76
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.
4g4i 4-O-METHYL-GLUCURONO
YL METHYLESTERASE

(Thermothelomyces
thermophila) 		no annotation 6 ILE A 128
ALA A 219
ILE A 361
LEU A 365
ILE A 127
THR A 222
 None
 1.49A 1rx7A-4g4iA:
undetectable		 1rx7A-4g4iA:
15.46
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) 		9 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ILE X 123
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
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.51A 1rx7A-4g8zX:
18.7		 1rx7A-4g8zX:
30.54
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.
4giw RUN AND SH3
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF02759
(RUN) 		5 ILE A  23
LEU A 175
THR A  54
LEU A 128
ILE A  22
 None
 0.95A 1rx7A-4giwA:
undetectable		 1rx7A-4giwA:
21.36
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
ILE A 112
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)
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.78A 1rx7A-4h96A:
16.9		 1rx7A-4h96A:
32.31
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
THR A  58
ILE A  62
LEU A  69
ILE A 112
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.62A 1rx7A-4h96A:
16.9		 1rx7A-4h96A:
32.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		9 ILE A   9
ALA A  11
PHE A  36
THR A  58
ILE A  62
LEU A  69
ILE A 121
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
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.47A 1rx7A-4h98A:
17.4		 1rx7A-4h98A:
27.23
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.
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
 0.94A 1rx7A-4hnlA:
undetectable		 1rx7A-4hnlA:
15.64
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) 		9 ILE A   5
ALA A   7
ASP A  27
PHE A  31
THR A  46
LEU A  57
ILE A  94
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
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 0.48A 1rx7A-4m2xA:
21.0		 1rx7A-4m2xA:
35.50
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)
 1.26A 1rx7A-4m7vA:
22.9		 1rx7A-4m7vA:
37.71
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) 		8 ILE A   5
ALA A   7
ASP A  27
LEU A  28
PHE A  31
THR A  46
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)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.2A)
RAR  A 200 (-4.4A)
 0.69A 1rx7A-4m7vA:
22.9		 1rx7A-4m7vA:
37.71
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) 		10 ILE A   5
ALA A   7
ASP A  27
PHE A  31
LYS A  32
THR A  46
ILE A  50
ILE A  94
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)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.44A 1rx7A-4p68A:
27.8		 1rx7A-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.
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)
 0.99A 1rx7A-4qx5A:
undetectable		 1rx7A-4qx5A:
20.48
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.
4r7r PUTATIVE LIPOPROTEIN

(Clostridium
perfringens) 		PF16224
(DUF4883) 		5 ILE A  22
LEU A  47
ILE A  88
LEU A 113
ILE A  69
 None
GOL  A 201 (-3.9A)
None
None
None
 1.01A 1rx7A-4r7rA:
undetectable		 1rx7A-4r7rA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rmx PHI92_GP150

(Enterobacteria
phage phi92) 		no annotation 5 ILE A 403
ASP A 349
LEU A 348
LEU A 391
ILE A 404
 None
 0.85A 1rx7A-4rmxA:
undetectable		 1rx7A-4rmxA:
12.16
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.
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
 0.98A 1rx7A-4twiA:
undetectable		 1rx7A-4twiA:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 ALA A 615
LEU A 680
ILE A 667
LEU A 754
ILE A 693
 None
 0.98A 1rx7A-5a55A:
undetectable		 1rx7A-5a55A:
9.65
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.
5cc8 THIAMINE-MONOPHOSPHA
TE KINASE

(Acinetobacter
baumannii) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ILE A  60
LEU A  96
PHE A  99
LEU A  84
ILE A 127
 None
None
None
ANP  A 401 (-4.2A)
None
 0.90A 1rx7A-5cc8A:
undetectable		 1rx7A-5cc8A:
18.93
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) 		9 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
ILE A 111
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
None
CME  A 140 ( 4.5A)
 0.51A 1rx7A-5dxvA:
16.8		 1rx7A-5dxvA:
69.66
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) 		9 ILE A   5
LEU A  45
PHE A  48
THR A  63
ILE A  67
LEU A  71
ILE A 111
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
None
CME  A 140 ( 4.5A)
 0.70A 1rx7A-5dxvA:
16.8		 1rx7A-5dxvA:
69.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
PHE A  31
THR A  46
LEU A  53
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-4.1A)
NAP  A 201 (-3.2A)
5N1  A 202 ( 4.7A)
None
 0.87A 1rx7A-5ecxA:
22.2		 1rx7A-5ecxA:
30.06
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
 0.54A 1rx7A-5fdaA:
20.2		 1rx7A-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.
5frs SISTER CHROMATID
COHESION PROTEIN
PDS5

(Saccharomyces
cerevisiae) 		PF12717
(Cnd1) 		5 ILE A 281
ALA A 279
LEU A 269
LEU A 302
ILE A 284
 None
 1.01A 1rx7A-5frsA:
undetectable		 1rx7A-5frsA:
12.34
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.
5hdh TOLL-LIKE RECEPTOR 8

(Homo sapiens) 		PF13855
(LRR_8) 		6 ILE A 359
LEU A 413
PHE A 387
ILE A 406
LEU A 401
ILE A 357
 None
 1.07A 1rx7A-5hdhA:
undetectable		 1rx7A-5hdhA:
11.07
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.
5lcw ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 ILE A1419
LEU A1409
THR A1576
ILE A1581
LEU A1376
 None
 0.98A 1rx7A-5lcwA:
undetectable		 1rx7A-5lcwA:
6.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		5 ILE A 386
LEU A 298
PHE A 299
ILE A 322
ILE A 391
 None
 0.98A 1rx7A-5mtzA:
undetectable		 1rx7A-5mtzA:
10.14
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.
5nny WIPB

(Legionella
pneumophila) 		no annotation 6 ILE A 265
PHE A 246
LYS A 245
ILE A 278
LEU A 281
ILE A 214
 None
 1.44A 1rx7A-5nnyA:
undetectable		 1rx7A-5nnyA:
21.38
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.
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)
 0.35A 1rx7A-5t0lA:
19.8		 1rx7A-5t0lA:
13.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vn3 ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 ILE G 215
ALA G  55
LEU G  52
LEU G 483
ILE G 251
 None
 1.00A 1rx7A-5vn3G:
undetectable		 1rx7A-5vn3G:
14.62
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.
5zbh NEUROPEPTIDE Y
RECEPTOR TYPE 1,T4
LYSOZYME,NEUROPEPTID
E Y RECEPTOR TYPE 1

(Homo sapiens;
Escherichia
virus T4) 		no annotation 6 ILE A 124
ASP A  86
PHE A 272
ILE A 227
LEU A 224
ILE A 128
 9AF  A1201 (-4.2A)
None
None
None
None
None
 1.50A 1rx7A-5zbhA:
undetectable		 1rx7A-5zbhA:
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 10 ILE A   6
ALA A   8
ASP A  28
LEU A  29
PHE A  32
THR A  47
LEU A  58
ILE A  92
TYR A  98
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 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.70A 1rx7A-6cxmA:
19.7		 1rx7A-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 10 ILE A   6
ALA A   8
ASP A  28
PHE A  32
LYS A  33
THR A  47
LEU A  58
ILE A  92
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)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.57A 1rx7A-6cxmA:
19.7		 1rx7A-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.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
GAMMA-2,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT GAMMA-2

(Homo sapiens) 		no annotation 5 ILE E  62
LEU E 206
PHE E 227
ILE E  74
THR E 193
 None
 0.98A 1rx7A-6d6uE:
undetectable		 1rx7A-6d6uE:
15.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dcq ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		no annotation 5 ILE A 215
ALA A  55
LEU A  52
LEU A 483
ILE A 251
 None
 1.00A 1rx7A-6dcqA:
undetectable		 1rx7A-6dcqA:
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)
 0.60A 1rx7A-6e4eA:
23.6		 1rx7A-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.
6ft1 FLAVODOXIN

(Bacillus cereus) 		no annotation 5 ILE A  38
ALA A  57
ILE A  53
LEU A  47
ILE A   7
 None
 0.91A 1rx7A-6ft1A:
2.7		 1rx7A-6ft1A:
undetectable