SIMILAR PATTERNS OF AMINO ACIDS FOR 4NX7_A_FOLA202

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.
1clw TAILSPIKE PROTEIN

(Salmonella
virus P22) 		PF09251
(PhageP22-tail) 		5 ALA A 275
LEU A 262
PHE A 173
LEU A 133
ILE A 146
 None
 1.10A 4nx7A-1clwA:
undetectable		 4nx7A-1clwA:
13.30
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.
1cvm PHYTASE

(Bacillus
amyloliquefaciens) 		PF02333
(Phytase) 		5 ALA A 119
LEU A 163
THR A 145
ILE A 196
ILE A 151
 None
 0.99A 4nx7A-1cvmA:
undetectable		 4nx7A-1cvmA:
18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		7 ALA A   8
PHE A  31
THR A  47
ILE A  51
ARG A  53
LEU A  55
ILE A 100
 None
None
SO4  A 200 (-3.7A)
None
None
None
None
 0.59A 4nx7A-1cz3A:
20.2		 4nx7A-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) 		6 ALA A   9
PHE A  34
THR A  56
ILE A  60
LEU A  67
TYR A 121
 HBI  A 198 ( 3.6A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
None
None
 0.72A 4nx7A-1dr6A:
21.1		 4nx7A-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.
1iwa RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE/OXYGENAS
E LARGE SUBUNIT

(Galdieria
partita) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ALA A 252
ILE A 267
LEU A 291
ILE A 265
TYR A 218
 None
 0.98A 4nx7A-1iwaA:
undetectable		 4nx7A-1iwaA:
16.70
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.
1j2q PROTEASOME ALPHA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 ALA A  85
THR A 151
ILE A 138
LEU A 112
ILE A 116
 None
 1.12A 4nx7A-1j2qA:
undetectable		 4nx7A-1j2qA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		6 LEU A  37
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
 0.83A 4nx7A-1juvA:
18.1		 4nx7A-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.
1kzh PHOSPHOFRUCTOKINASE

(Borreliella
burgdorferi) 		PF00365
(PFK) 		5 LEU A 397
PHE A 398
ILE A 318
LEU A 314
ILE A 287
 None
 1.02A 4nx7A-1kzhA:
undetectable		 4nx7A-1kzhA:
15.70
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.
1oxj RNA-BINDING PROTEIN
SMAUG

(Drosophila
melanogaster) 		PF00536
(SAM_1)
PF09246
(PHAT) 		5 ALA A 745
ILE A 684
LEU A 660
ILE A 702
TYR A 622
 None
 1.11A 4nx7A-1oxjA:
undetectable		 4nx7A-1oxjA:
18.89
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) 		6 ALA A   9
PHE A  34
THR A  56
ILE A  60
LEU A  67
TYR A 121
 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
 0.67A 4nx7A-1u70A:
20.2		 4nx7A-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) 		6 ALA A   9
PHE A  34
THR A  56
ILE A  60
LEU A  67
TYR A 121
 MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 ( 4.7A)
None
None
 0.56A 4nx7A-1u71A:
20.9		 4nx7A-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
 1.13A 4nx7A-1v5lA:
undetectable		 4nx7A-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.
1ybm UNKNOWN PROTEIN
AT5G02240

(Arabidopsis
thaliana) 		PF13460
(NAD_binding_10) 		5 ALA A  60
PHE A  67
THR A  77
ILE A  75
LEU A  73
 None
None
NAP  A 400 (-4.5A)
None
None
 1.13A 4nx7A-1ybmA:
undetectable		 4nx7A-1ybmA:
19.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		8 ALA A   7
LEU A  28
PHE A  31
LYS A  32
THR A  46
ILE A  50
LEU A  54
ILE A  96
 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
 0.84A 4nx7A-1zdrA:
25.3		 4nx7A-1zdrA:
40.49
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) 		5 PHE A  31
LYS A  32
ILE A  50
LEU A  54
ILE A  40
 SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 1.00A 4nx7A-1zdrA:
25.3		 4nx7A-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) 		5 ALA A  15
PHE A  57
ILE A 121
LEU A 128
ILE A 173
 CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
 0.78A 4nx7A-2blbA:
20.6		 4nx7A-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		5 ALA A  15
PHE A  57
LEU A 128
ILE A 173
TYR A 179
 CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
 0.48A 4nx7A-2blbA:
20.6		 4nx7A-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eeg PDZ AND LIM DOMAIN
PROTEIN 4

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A  48
LEU A  83
ILE A  56
LEU A  24
ILE A  36
 None
 1.07A 4nx7A-2eegA:
undetectable		 4nx7A-2eegA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
PHE A  52
THR A  80
ILE A  84
LEU A  91
ILE A 154
TYR A 160
 NAP  A 523 (-3.7A)
None
NAP  A 523 (-3.5A)
None
None
None
None
 0.67A 4nx7A-2h2qA:
19.9		 4nx7A-2h2qA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 187
PHE A 183
THR A 220
ILE A 164
LEU A 180
 None
 1.06A 4nx7A-2iwiA:
undetectable		 4nx7A-2iwiA:
16.77
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.
2lv5 UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF10052
(DUF2288) 		5 ALA A  49
TRP A  95
ILE A  22
LEU A  27
ILE A  98
 None
 0.97A 4nx7A-2lv5A:
undetectable		 4nx7A-2lv5A:
22.56
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
LEU A  33
PHE A  36
THR A  58
ILE A  62
LEU A  67
TYR A 119
 MTX  A 605 ( 3.6A)
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
 0.57A 4nx7A-2oipA:
21.7		 4nx7A-2oipA:
16.88
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) 		6 ALA A   8
LEU A  29
ILE A  51
ARG A  53
LEU A  55
TYR A 102
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 3.5A)
MTX  A 200 ( 4.1A)
None
 0.85A 4nx7A-2qk8A:
25.7		 4nx7A-2qk8A:
40.99
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) 		6 ALA A   8
LEU A  29
LYS A  33
ILE A  51
LEU A  55
TYR A 102
 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
 0.85A 4nx7A-2qk8A:
25.7		 4nx7A-2qk8A:
40.99
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.
2rjq ADAMTS-5

(Homo sapiens) 		PF01421
(Reprolysin) 		5 ALA A 298
LEU A 271
ILE A 387
LEU A 472
ILE A 311
 None
 0.95A 4nx7A-2rjqA:
undetectable		 4nx7A-2rjqA:
17.45
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) 		7 ALA A  11
LEU A  32
PHE A  35
THR A  50
LEU A  61
ILE A 102
TYR A 108
 VG9  A1168 ( 3.8A)
VG9  A1168 (-4.7A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
 0.34A 4nx7A-2w3wA:
25.1		 4nx7A-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
LEU A  61
ILE A 102
TYR A 108
 VG9  A1168 (-3.9A)
VG9  A1168 ( 4.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
 1.39A 4nx7A-2w3wA:
25.1		 4nx7A-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) 		6 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
 0.40A 4nx7A-2w9sA:
26.1		 4nx7A-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.
2zqq METHYLGLUTACONYL-COA
HYDRATASE

(Homo sapiens) 		PF00378
(ECH_1) 		5 LEU A  77
THR A 175
ILE A 129
LEU A 190
ILE A 168
 None
 1.12A 4nx7A-2zqqA:
undetectable		 4nx7A-2zqqA:
21.35
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.
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
 0.90A 4nx7A-3b8zA:
undetectable		 4nx7A-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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
LEU A  27
PHE A  30
THR A  45
LEU A  54
 MTX  A 164 (-3.8A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
 0.56A 4nx7A-3dfrA:
24.3		 4nx7A-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) 		5 ALA A  16
PHE A  58
ILE A 112
LEU A 119
TYR A 170
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-4.3A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
NDP  A 610 ( 4.9A)
 0.73A 4nx7A-3dg8A:
20.8		 4nx7A-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.
3eqz RESPONSE REGULATOR

(Colwellia
psychrerythraea) 		PF00072
(Response_reg) 		5 LEU A 114
PHE A 117
ILE A  48
LEU A 121
ILE A 102
 LEU  A 114 ( 0.6A)
PHE  A 117 ( 1.3A)
ILE  A  48 ( 0.7A)
LEU  A 121 ( 0.6A)
ILE  A 102 ( 0.7A)
 0.86A 4nx7A-3eqzA:
undetectable		 4nx7A-3eqzA:
17.88
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.
3ht4 ALUMINUM RESISTANCE
PROTEIN

(Bacillus cereus) 		PF06838
(Met_gamma_lyase) 		5 ALA A 267
LYS A 249
THR A  98
LEU A 226
ILE A 246
 None
 1.07A 4nx7A-3ht4A:
undetectable		 4nx7A-3ht4A:
17.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
LEU X  28
THR X  46
ILE X  50
LEU X  54
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 (-4.4A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
 0.67A 4nx7A-3i8aX:
26.2		 4nx7A-3i8aX:
37.50
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
LYS X  32
THR X  46
ILE X  50
LEU X  54
TYR X  98
 N22  X 219 ( 3.6A)
None
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
 0.92A 4nx7A-3i8aX:
26.2		 4nx7A-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) 		6 ALA A   7
PHE A  32
LYS A  33
ILE A  51
LEU A  55
ILE A  41
 NDP  A 163 ( 3.9A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.2A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
None
 1.22A 4nx7A-3ia4A:
28.7		 4nx7A-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 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)
 1.20A 4nx7A-3ia4A:
28.7		 4nx7A-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) 		8 ALA A   8
MET A  21
LEU A  29
PHE A  32
ARG A  53
LEU A  55
ILE A  96
TYR A 102
 MTX  A 164 ( 3.7A)
MTX  A 164 (-3.3A)
MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.8A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.2A)
None
 0.91A 4nx7A-3ia4A:
28.7		 4nx7A-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) 		10 ALA A   8
MET A  21
LEU A  29
PHE A  32
LYS A  33
THR A  47
ILE A  51
LEU A  55
ILE A  96
TYR A 102
 MTX  A 164 ( 3.7A)
MTX  A 164 (-3.3A)
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
 0.55A 4nx7A-3ia4A:
28.7		 4nx7A-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
 1.24A 4nx7A-3ia4A:
28.7		 4nx7A-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) 		6 ALA A  10
LEU A  31
PHE A  34
LYS A  35
THR A  49
LEU A  58
 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)
 0.75A 4nx7A-3ix9A:
25.5		 4nx7A-3ix9A:
35.79
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.
3k4x PROLIFERATING CELL
NUCLEAR ANTIGEN

(Saccharomyces
cerevisiae) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		6 ALA A 476
LEU A 517
PHE A 474
ILE A 494
LEU A 496
ILE A 427
 None
 1.43A 4nx7A-3k4xA:
undetectable		 4nx7A-3k4xA:
12.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k4x PROLIFERATING CELL
NUCLEAR ANTIGEN

(Saccharomyces
cerevisiae) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		6 ALA A 743
LEU A 784
PHE A 741
ILE A 761
LEU A 763
ILE A 694
 None
 1.44A 4nx7A-3k4xA:
undetectable		 4nx7A-3k4xA:
12.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3khz PUTATIVE DIPEPTIDASE
SACOL1801

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20) 		5 ALA A 360
PHE A 364
THR A 330
ILE A 347
LEU A 190
 None
 1.13A 4nx7A-3khzA:
undetectable		 4nx7A-3khzA:
14.14
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
THR A  69
ILE A  73
LEU A  80
TYR A 129
 NAP  A 512 (-3.7A)
NAP  A 512 (-3.6A)
None
None
None
 0.74A 4nx7A-3kjrA:
21.2		 4nx7A-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.
3ppo GLYCINE
BETAINE/CARNITINE/CH
OLINE-BINDING
PROTEIN

(Bacillus
subtilis) 		PF04069
(OpuAC) 		5 ALA A  48
ILE A 247
LEU A 258
ILE A 262
TYR A 131
 None
 1.11A 4nx7A-3ppoA:
undetectable		 4nx7A-3ppoA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q3h HMW1C-LIKE
GLYCOSYLTRANSFERASE

(Actinobacillus
pleuropneumoniae) 		no annotation 5 ALA A  24
LEU A  29
ILE A 143
LEU A  98
ILE A  72
 None
 1.10A 4nx7A-3q3hA:
2.2		 4nx7A-3q3hA:
14.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
PHE A  58
THR A  86
LEU A  97
ILE A 160
TYR A 166
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
None
WRA  A 602 ( 3.9A)
None
 0.26A 4nx7A-3rg9A:
20.0		 4nx7A-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.
3sho TRANSCRIPTIONAL
REGULATOR, RPIR
FAMILY

(Sphaerobacter
thermophilus) 		PF01380
(SIS) 		5 ALA A 126
LEU A 231
ILE A 187
LEU A 152
ILE A 131
 None
None
None
None
OCS  A 132 ( 3.7A)
 1.10A 4nx7A-3shoA:
2.4		 4nx7A-3shoA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tg3 DUAL SPECIFICITY
PROTEIN PHOSPHATASE
16

(Homo sapiens) 		PF00581
(Rhodanese) 		5 ALA A  73
LEU A  27
ILE A  65
LEU A 111
ILE A  48
 None
 1.11A 4nx7A-3tg3A:
undetectable		 4nx7A-3tg3A:
21.30
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) 		8 ALA A   8
LEU A  29
PHE A  32
LYS A  33
THR A  47
ILE A  51
LEU A  55
ILE A  96
 MTX  A2001 ( 3.4A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
None
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 ( 4.2A)
 0.50A 4nx7A-3tq9A:
26.1		 4nx7A-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) 		6 LEU A  29
PHE A  32
LYS A  33
ILE A  51
LEU A  55
ILE A  41
 MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
None
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
None
 1.19A 4nx7A-3tq9A:
26.1		 4nx7A-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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
 1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
 0.35A 4nx7A-3um6A:
20.6		 4nx7A-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) 		8 ALA A   8
PHE A  32
LYS A  33
THR A  53
ILE A  57
LEU A  64
ILE A 111
TYR A 117
 None
None
None
SO4  A 201 (-3.7A)
None
None
None
None
 0.79A 4nx7A-3vcoA:
18.5		 4nx7A-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.
3zjc GTPASE IMAP FAMILY
MEMBER 7

(Homo sapiens) 		PF04548
(AIG1) 		5 LEU A 101
PHE A 131
ILE A 146
LEU A 153
ILE A 129
 None
 1.08A 4nx7A-3zjcA:
undetectable		 4nx7A-3zjcA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ars HISTIDINE ACID
PHOSPHATASE

(Hafnia alvei) 		PF00328
(His_Phos_2) 		5 ALA A  89
LEU A 103
PHE A 102
ILE A 300
ILE A  15
 None
 1.13A 4nx7A-4arsA:
undetectable		 4nx7A-4arsA:
17.85
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.
4btp P1

(Pseudomonas
phage phi8) 		no annotation 5 ALA A 610
THR A 423
ILE A 425
LEU A 593
ILE A 607
 None
 1.05A 4nx7A-4btpA:
undetectable		 4nx7A-4btpA:
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.
4c2f CARBOXY-TERMINAL
PROCESSING PROTEASE
CTPB

(Bacillus
subtilis) 		PF01471
(PG_binding_1)
PF03572
(Peptidase_S41)
PF13180
(PDZ_2) 		6 ALA A 204
LEU A 245
THR A 226
ILE A 263
LEU A 314
ILE A 219
 None
 1.25A 4nx7A-4c2fA:
undetectable		 4nx7A-4c2fA:
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.
4fmz INTERNALIN

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13855
(LRR_8) 		5 ALA A  85
LEU A  82
ILE A  92
LEU A 117
ILE A 128
 None
 0.95A 4nx7A-4fmzA:
undetectable		 4nx7A-4fmzA:
15.82
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) 		7 ALA X  12
PHE X  36
THR X  61
ILE X  65
LEU X  72
ILE X 123
TYR X 129
 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
 0.57A 4nx7A-4g8zX:
20.5		 4nx7A-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.
4gib BETA-PHOSPHOGLUCOMUT
ASE

(Clostridioides
difficile) 		PF13419
(HAD_2) 		5 ALA A 120
PHE A 133
ILE A  97
LEU A 101
ILE A 129
 None
 1.07A 4nx7A-4gibA:
4.0		 4nx7A-4gibA:
19.37
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.
4gip FUSION GLYCOPROTEIN
F2
FUSION GLYCOPROTEIN
F1

(Mammalian
rubulavirus 5;
Mammalian
rubulavirus 5) 		PF00523
(Fusion_gly)
PF00523
(Fusion_gly) 		5 ALA D 215
LEU A  80
ILE D 206
LEU D 227
ILE D 219
 None
 1.13A 4nx7A-4gipD:
undetectable		 4nx7A-4gipD:
16.79
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.
4gou EHRGS-RHOGEF

(Entamoeba
histolytica) 		PF00615
(RGS)
PF00621
(RhoGEF) 		5 LEU A 165
THR A 435
ILE A 437
LEU A 388
ILE A 451
 None
 1.08A 4nx7A-4gouA:
undetectable		 4nx7A-4gouA:
14.14
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 ALA A  11
MET A  25
PHE A  36
LYS A  37
THR A  58
ILE A  62
LEU A  69
ILE A 112
TYR A 118
 14Q  A 202 ( 3.7A)
NDP  A 201 (-3.9A)
14Q  A 202 (-4.0A)
None
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
14Q  A 202 ( 4.2A)
None
 1.01A 4nx7A-4h96A:
18.2		 4nx7A-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) 		7 ALA A  11
PHE A  36
THR A  58
ILE A  62
LEU A  69
ILE A 121
TYR A 127
 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
 0.46A 4nx7A-4h98A:
19.4		 4nx7A-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.
4i0w PROTEASE CSPB

(Clostridium
perfringens) 		PF00082
(Peptidase_S8) 		5 ALA B 279
LEU B 236
ILE B 251
LEU B 229
ILE B 270
 None
 1.11A 4nx7A-4i0wB:
undetectable		 4nx7A-4i0wB:
15.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4isa UDP-3-O-[3-HYDROXYMY
RISTOYL]
N-ACETYLGLUCOSAMINE
DEACETYLASE

(Escherichia
coli) 		PF03331
(LpxC) 		6 ALA A  82
LEU A 115
PHE A 111
ILE A  94
LEU A  26
ILE A 101
 None
 1.36A 4nx7A-4isaA:
undetectable		 4nx7A-4isaA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kf7 NUP188

(Thermothelomyces
thermophila) 		PF10487
(Nup188) 		5 ALA A 493
LEU A 533
ILE A 417
LEU A 360
ILE A 396
 None
 1.07A 4nx7A-4kf7A:
undetectable		 4nx7A-4kf7A:
9.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lry PTS-DEPENDENT
DIHYDROXYACETONE
KINASE OPERON
REGULATORY PROTEIN

(Escherichia
coli) 		PF00989
(PAS) 		5 ALA C 232
LEU C 252
PHE C 275
LEU C 258
ILE C 286
 None
 1.10A 4nx7A-4lryC:
undetectable		 4nx7A-4lryC:
19.11
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) 		6 ALA A   7
PHE A  31
THR A  46
LEU A  57
ILE A  94
TYR A 100
 TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.4A)
None
TMQ  A 202 ( 3.8A)
None
 0.22A 4nx7A-4m2xA:
23.5		 4nx7A-4m2xA:
35.50
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.
4mdy PERIPLASMIC BINDING
PROTEIN

(Mycolicibacterium
smegmatis) 		PF01497
(Peripla_BP_2) 		6 TRP A 156
PHE A 222
THR A 255
ILE A 253
LEU A 308
ILE A 293
 None
 1.48A 4nx7A-4mdyA:
undetectable		 4nx7A-4mdyA:
20.48
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 ALA A   7
MET A  20
TRP A  30
PHE A  31
LYS A  32
THR A  46
ILE A  50
ILE A  94
TYR A 100
 MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.6A)
None
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
 0.63A 4nx7A-4p68A:
30.5		 4nx7A-4p68A:
98.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pfs COBYRINIC ACID
A,C-DIAMIDE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF13614
(AAA_31) 		5 ALA A 217
THR A  27
ILE A  31
LEU A  13
ILE A 152
 None
 1.13A 4nx7A-4pfsA:
3.3		 4nx7A-4pfsA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4prk 4-PHOSPHOERYTHRONATE
DEHYDROGENASE

(Lactobacillus
jensenii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ALA A 255
LEU A 258
ILE A 216
LEU A 204
ILE A 202
 None
 1.10A 4nx7A-4prkA:
undetectable		 4nx7A-4prkA:
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.
4qtp ANTI-SIGMA FACTOR
ANTAGONIST

(Mycobacterium
avium) 		PF01740
(STAS) 		5 LEU A  59
THR A  70
ILE A  66
LEU A  34
ILE A  51
 None
 1.14A 4nx7A-4qtpA:
undetectable		 4nx7A-4qtpA:
17.50
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.
4r86 RND FAMILY
AMINOGLYCOSIDE/MULTI
DRUG EFFLUX PUMP

(Salmonella
enterica) 		PF00873
(ACR_tran) 		5 ALA A 252
LEU A 287
ILE A 128
LEU A 276
ILE A 106
 None
 1.12A 4nx7A-4r86A:
undetectable		 4nx7A-4r86A:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uvj COHESIN SUBUNIT SCC3

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A 752
LEU A 816
THR A 730
ILE A 731
ILE A 758
 None
 1.06A 4nx7A-4uvjA:
undetectable		 4nx7A-4uvjA:
19.41
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.
4ydo UNCHARACTERIZED
PROTEIN

(Candida
albicans) 		PF00432
(Prenyltrans) 		5 LEU B 273
THR B 258
ILE B 262
LEU B 323
ILE B 281
 None
 1.07A 4nx7A-4ydoB:
undetectable		 4nx7A-4ydoB:
12.27
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.
5b71 COMPLEMENT C5 BETA
CHAIN

(Homo sapiens) 		no annotation 5 ALA E  35
PHE E  31
ILE E  39
LEU E 104
ILE E  56
 None
 1.12A 4nx7A-5b71E:
undetectable		 4nx7A-5b71E:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cz3 M64R

(Myxoma virus) 		PF03287
(Pox_C7_F8A) 		5 MET A  66
LEU A  49
ILE A  35
LEU A  13
ILE A  45
 None
 1.07A 4nx7A-5cz3A:
undetectable		 4nx7A-5cz3A:
24.29
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) 		6 ALA A   6
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
 NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
 1.42A 4nx7A-5dxvA:
17.3		 4nx7A-5dxvA:
69.10
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 ALA A   7
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
ILE A 111
TYR A 117
 NAP  A 201 (-3.7A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
 0.34A 4nx7A-5dxvA:
17.3		 4nx7A-5dxvA:
69.10
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 LEU A  45
TRP A  47
PHE A  48
THR A  63
ILE A  67
LEU A  71
ILE A 111
TYR A 117
 PEG  A 202 (-4.2A)
None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
 0.71A 4nx7A-5dxvA:
17.3		 4nx7A-5dxvA:
69.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		5 ALA A   8
THR A  47
ILE A  51
LEU A  55
TYR A 101
 None
 0.62A 4nx7A-5fdaA:
20.0		 4nx7A-5fdaA:
80.62
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.
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
 1.13A 4nx7A-5h7nA:
undetectable		 4nx7A-5h7nA:
14.44
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.
5hdh TOLL-LIKE RECEPTOR 8

(Homo sapiens) 		PF13855
(LRR_8) 		5 LEU A 413
PHE A 387
ILE A 406
LEU A 401
ILE A 357
 None
 1.10A 4nx7A-5hdhA:
undetectable		 4nx7A-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.
5hdm GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
1, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00202
(Aminotran_3) 		5 LEU A 333
ILE A  73
ARG A 323
LEU A 324
ILE A 275
 None
 1.08A 4nx7A-5hdmA:
2.3		 4nx7A-5hdmA:
15.90
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.
5hzl LMO2445 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 ALA B  80
LEU B  72
ILE B  85
LEU B  93
ILE B 106
 None
 0.99A 4nx7A-5hzlB:
undetectable		 4nx7A-5hzlB:
19.67
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.
5n8p S-LAYER PROTEIN

(Caulobacter
vibrioides) 		PF00353
(HemolysinCabind) 		5 ALA A 587
LEU A 582
ILE A 592
LEU A 621
ILE A 611
 None
 1.08A 4nx7A-5n8pA:
undetectable		 4nx7A-5n8pA:
7.98
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.
5n97 S-LAYER PROTEIN RSAA

(Caulobacter
vibrioides) 		PF00353
(HemolysinCabind) 		5 ALA A 587
LEU A 582
ILE A 592
LEU A 621
ILE A 611
 None
 1.08A 4nx7A-5n97A:
undetectable		 4nx7A-5n97A:
10.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5npr UDP-N-ACETYLGLUCOSAM
INE--PEPTIDE
N-ACETYLGLUCOSAMINYL
TRANSFERASE 110 KDA
SUBUNIT

(Homo sapiens) 		no annotation 5 LEU A 731
PHE A 734
ILE A 767
LEU A 738
ILE A 789
 None
 1.01A 4nx7A-5nprA:
2.5		 4nx7A-5nprA:
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  10
PHE A  35
THR A  83
LEU A  94
TYR A 157
 73X  A 704 (-4.0A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.2A)
None
None
 0.27A 4nx7A-5t0lA:
21.5		 4nx7A-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.
5ubv ATPASE DOMAIN OF
I-AAA PROTEASE

(Thermothelomyces
thermophila) 		no annotation 5 LEU A  90
PHE A  91
ILE A 104
LEU A 129
ILE A 144
 None
 1.12A 4nx7A-5ubvA:
undetectable		 4nx7A-5ubvA:
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.
5udf LIPOPROTEIN-RELEASIN
G SYSTEM
TRANSMEMBRANE
PROTEIN LOLE

(Acinetobacter
baumannii) 		PF12704
(MacB_PCD) 		5 ALA A 225
LEU A 184
ILE A 127
LEU A 118
ILE A 162
 None
 1.03A 4nx7A-5udfA:
undetectable		 4nx7A-5udfA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5usl IMV MEMBRANE PROTEIN

(Vaccinia virus) 		no annotation 5 LEU X 160
PHE X 185
ILE X  52
LEU X  24
ILE X 183
 None
 1.10A 4nx7A-5uslX:
undetectable		 4nx7A-5uslX:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x9w DNA MISMATCH REPAIR
PROTEIN MUTS

(Neisseria
gonorrhoeae) 		no annotation 5 LEU A 193
THR A 114
ILE A 129
LEU A 236
ILE A 240
 None
 1.06A 4nx7A-5x9wA:
undetectable		 4nx7A-5x9wA:
11.45
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ALA A   8
PHE A  32
LYS A  33
THR A  47
LEU A  58
ILE A  92
TYR A  98
 NAP  A 201 (-3.9A)
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
 0.73A 4nx7A-6cxmA:
22.0		 4nx7A-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 5 LEU A  29
PHE A  32
THR A  47
LEU A  58
ILE A  92
 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)
 0.78A 4nx7A-6cxmA:
22.0		 4nx7A-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 5 ALA A   7
LEU A  28
THR A  46
ILE A  50
LEU A  54
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
 0.53A 4nx7A-6e4eA:
26.1		 4nx7A-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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		4 ILE A  34
ASP A  27
ARG A  58
THR A 121
 None
 1.49A 4nx7A-1cz3A:
20.2		 4nx7A-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.
1foh PHENOL HYDROXYLASE

(Cutaneotrichosporon
cutaneum) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		4 ILE A 457
ASP A 376
ARG A 619
THR A 372
 None
 1.49A 4nx7A-1fohA:
undetectable		 4nx7A-1fohA:
13.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 ILE A 155
ASP A 520
ARG A 510
THR A 149
 None
 1.21A 4nx7A-1ileA:
undetectable		 4nx7A-1ileA:
10.66
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.
1kte THIOLTRANSFERASE

(Sus scrofa) 		PF00462
(Glutaredoxin) 		4 ILE A  47
ASP A  52
ARG A  67
THR A  50
 None
 1.48A 4nx7A-1kteA:
undetectable		 4nx7A-1kteA:
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.
1p5v F1 CAPSULE ANTIGEN

(Yersinia pestis) 		PF09255
(Antig_Caf1) 		4 ILE B  98
ASP B 111
ARG B  94
THR B  58
 None
 1.49A 4nx7A-1p5vB:
undetectable		 4nx7A-1p5vB:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ydo HMG-COA LYASE

(Bacillus
subtilis) 		PF00682
(HMGL-like) 		4 ILE A  31
ASP A  61
ARG A  71
THR A  27
 None
 1.24A 4nx7A-1ydoA:
undetectable		 4nx7A-1ydoA:
16.83
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) 		4 ILE A   5
ASP A  27
ARG A  57
THR A 115
 None
None
SO4  A3484 (-3.3A)
None
 0.38A 4nx7A-1zdrA:
25.3		 4nx7A-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) 		4 ILE A  13
ASP A  53
ARG A 131
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.1A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.34A 4nx7A-2blbA:
20.6		 4nx7A-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hi0 PUTATIVE
PHOSPHOGLYCOLATE
PHOSPHATASE

(Lactobacillus
delbrueckii) 		PF13419
(HAD_2) 		4 ILE A  43
ASP A  11
ARG A  57
THR A  17
 None
 1.11A 4nx7A-2hi0A:
undetectable		 4nx7A-2hi0A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2is8 MOLYBDOPTERIN
BIOSYNTHESIS ENZYME,
MOAB

(Thermus
thermophilus) 		PF00994
(MoCF_biosynth) 		4 ILE A  26
ASP A  20
ARG A 136
THR A   8
 None
FMT  A1003 (-3.7A)
None
FMT  A1003 (-4.1A)
 1.20A 4nx7A-2is8A:
undetectable		 4nx7A-2is8A:
21.98
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) 		4 ILE A   5
ASP A  27
ARG A  57
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 (-2.8A)
None
TOP  A1160 ( 4.5A)
 0.48A 4nx7A-2w9sA:
26.1		 4nx7A-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.
2zki 199AA LONG
HYPOTHETICAL TRP
REPRESSOR BINDING
PROTEIN

(Sulfurisphaera
tokodaii) 		PF03358
(FMN_red) 		4 ILE A 179
ASP A 173
ARG A 181
THR A 156
 None
None
SO4  A 505 ( 2.9A)
None
 1.24A 4nx7A-2zkiA:
undetectable		 4nx7A-2zkiA:
22.12
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		4 ILE A  14
ASP A  54
ARG A 122
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.0A)
None
RJ6  A 609 ( 4.5A)
 0.26A 4nx7A-3dg8A:
20.8		 4nx7A-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.
3lqk DIPICOLINATE
SYNTHASE SUBUNIT B

(Bacillus
halodurans) 		PF02441
(Flavoprotein) 		4 ILE A 141
ASP A 132
ARG A 143
THR A 130
 None
 1.47A 4nx7A-3lqkA:
undetectable		 4nx7A-3lqkA:
18.00
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) 		4 ILE A   6
ASP A  28
ARG A  58
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 (-2.7A)
MTX  A2001 (-2.8A)
MTX  A2001 (-4.3A)
 0.27A 4nx7A-3tq9A:
26.1		 4nx7A-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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 ILE A  14
ASP A  54
ARG A 122
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
1CY  A 609 (-4.3A)
 0.29A 4nx7A-3um6A:
20.6		 4nx7A-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.
3zbi TRAF PROTEIN

(Escherichia
coli) 		PF03743
(TrbI) 		4 ILE A 873
ASP A 838
ARG A 846
THR A 876
 None
 1.37A 4nx7A-3zbiA:
undetectable		 4nx7A-3zbiA:
20.80
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.
4kp2 HOMOACONITASE LARGE
SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00330
(Aconitase) 		4 ILE A 221
ASP A 224
ARG A 156
THR A 227
 None
 1.18A 4nx7A-4kp2A:
undetectable		 4nx7A-4kp2A:
18.98
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) 		4 ILE A   5
ASP A  27
ARG A  60
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 2.7A)
None
TMQ  A 202 (-4.2A)
 0.35A 4nx7A-4m2xA:
23.5		 4nx7A-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) 		4 ILE A   5
ASP A  27
ARG A  58
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 (-2.6A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.56A 4nx7A-4m7vA:
25.2		 4nx7A-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) 		4 ILE A   5
ASP A  27
ARG A  57
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 (-3.0A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 4.5A)
 0.25A 4nx7A-4p68A:
30.5		 4nx7A-4p68A:
98.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 4
ORIGIN RECOGNITION
COMPLEX SUBUNIT 5

(Drosophila
melanogaster;
Drosophila
melanogaster) 		PF13191
(AAA_16)
PF14629
(ORC4_C)
PF13191
(AAA_16)
PF14630
(ORC5_C) 		4 ILE D 238
ASP D  22
ARG E 115
THR D  25
 None
 1.12A 4nx7A-4xgcD:
undetectable		 4nx7A-4xgcD:
17.46
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.
4zv3 CYTOSOLIC ACYL
COENZYME A THIOESTER
HYDROLASE

(Mus musculus) 		PF03061
(4HBT) 		4 ILE A  80
ASP A 259
ARG A  62
THR A 276
 None
 1.47A 4nx7A-4zv3A:
undetectable		 4nx7A-4zv3A:
17.48
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.
5i2h O-METHYLTRANSFERASE
FAMILY 2

(Planctopirus
limnophila) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		4 ILE A 206
ASP A 199
ARG A 165
THR A 208
 None
None
AGI  A 501 (-2.8A)
None
 1.44A 4nx7A-5i2hA:
undetectable		 4nx7A-5i2hA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ldn HEXON PROTEIN,HEXON
CAPSID

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		4 ILE A 858
ASP A 807
ARG A 802
THR A 808
 None
 1.27A 4nx7A-5ldnA:
undetectable		 4nx7A-5ldnA:
9.33
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.
5ulm MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 5

(Homo sapiens) 		PF13281
(DUF4071) 		4 ILE A 306
ASP A 312
ARG A 302
THR A 310
 None
 1.35A 4nx7A-5ulmA:
undetectable		 4nx7A-5ulmA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 4 ILE A   6
ASP A  28
ARG A  61
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.32A 4nx7A-6cxmA:
22.0		 4nx7A-6cxmA:
undetectable