SIMILAR PATTERNS OF AMINO ACIDS FOR 1DHF_A_FOLA187_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) 		6 ALA A   8
PHE A  31
THR A  47
ILE A  51
LEU A  55
THR A 121
 None
None
SO4  A 200 (-3.7A)
None
None
None
 0.71A 1dhfA-1cz3A:
16.3		 1dhfA-1cz3A:
28.27
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) 		10 ILE A   7
ALA A   9
PHE A  34
THR A  56
ILE A  60
PRO A  61
ASN A  64
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
None
None
HBI  A 198 ( 4.5A)
 0.66A 1dhfA-1dr6A:
31.5		 1dhfA-1dr6A:
74.73
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.
1hno D3,D2-ENOYL COA
ISOMERASE ECI1

(Saccharomyces
cerevisiae) 		PF00378
(ECH_1) 		5 ALA A  32
PHE A  72
ASN A 152
LEU A 153
TYR A  38
 None
 1.19A 1dhfA-1hnoA:
undetectable		 1dhfA-1hnoA:
22.85
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.
1ne2 HYPOTHETICAL PROTEIN
TA1320

(Thermoplasma
acidophilum) 		PF06325
(PrmA) 		5 ILE A 139
PHE A 128
PRO A 116
LEU A 151
THR A 135
 None
 1.10A 1dhfA-1ne2A:
2.5		 1dhfA-1ne2A:
22.22
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.
1nx8 CARBAPENEM SYNTHASE

(Pectobacterium
carotovorum) 		PF02668
(TauD) 		5 PHE A 115
THR A  29
ILE A  32
LEU A  36
THR A  81
 None
 1.16A 1dhfA-1nx8A:
undetectable		 1dhfA-1nx8A:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1opg OPG2 FAB (HEAVY
CHAIN)

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE H 158
THR H  91
PRO H  14
ASN H  13
LEU H  11
 None
 1.11A 1dhfA-1opgH:
undetectable		 1dhfA-1opgH:
21.89
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.
1q5a EP-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		5 ILE A 172
ALA A 207
ILE A 211
PRO A 185
LEU A 179
 None
 0.89A 1dhfA-1q5aA:
undetectable		 1dhfA-1q5aA:
11.68
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) 		12 ILE A   7
ALA A   9
PHE A  31
PHE A  34
GLN A  35
THR A  56
ILE A  60
PRO A  61
ASN A  64
LEU A  67
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
MTX  A 187 (-4.3A)
MTX  A 187 (-3.7A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.2A)
MTX  A 187 (-4.8A)
MTX  A 187 (-3.6A)
MTX  A 187 ( 4.5A)
None
MTX  A 187 (-4.4A)
 0.58A 1dhfA-1u70A:
31.2		 1dhfA-1u70A:
89.25
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) 		10 ILE A   7
ALA A   9
PHE A  34
THR A  56
ILE A  60
PRO A  61
ASN A  64
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)
MXA  A 187 (-4.4A)
MXA  A 187 (-4.5A)
None
None
MXA  A 187 (-4.3A)
 0.39A 1dhfA-1u71A:
31.9		 1dhfA-1u71A:
99.46
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.
1xsr UREIDOGLYCOLATE
HYDROLASE

(Shigella
flexneri) 		PF04115
(Ureidogly_lyase) 		5 ALA A 129
PHE A  89
GLN A 114
THR A 138
ILE A  82
 None
 1.09A 1dhfA-1xsrA:
undetectable		 1dhfA-1xsrA:
20.00
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) 		7 ILE A   5
ALA A   7
PHE A  31
THR A  46
ILE A  50
LEU A  54
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.53A 1dhfA-1zdrA:
20.7		 1dhfA-1zdrA:
33.51
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		8 ILE A  13
ALA A  15
PHE A  57
ILE A 121
PRO A 122
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.71A 1dhfA-2blbA:
22.0		 1dhfA-2blbA:
29.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ejx STK_08120

(Sulfurisphaera
tokodaii) 		PF11485
(DUF3211) 		5 ILE A  20
PHE A  26
ILE A  31
ASN A 115
LEU A 119
 None
 1.07A 1dhfA-2ejxA:
undetectable		 1dhfA-2ejxA:
20.11
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  28
PHE A  52
THR A  80
ILE A  84
PRO A  85
LEU A  91
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
NAP  A 523 (-3.5A)
None
None
None
None
None
 0.48A 1dhfA-2h2qA:
22.0		 1dhfA-2h2qA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hl9 UBIQUITIN-LIKE-SPECI
FIC PROTEASE 1

(Saccharomyces
cerevisiae) 		PF02902
(Peptidase_C48) 		5 ILE A 615
ALA A 619
PHE A 610
LEU A 449
THR A 617
 None
 1.18A 1dhfA-2hl9A:
undetectable		 1dhfA-2hl9A:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hpi DNA POLYMERASE III
ALPHA SUBUNIT

(Thermus
aquaticus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 ILE A 464
ALA A 433
PRO A 456
ASN A 455
THR A 439
 None
 0.99A 1dhfA-2hpiA:
undetectable		 1dhfA-2hpiA:
9.67
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.
2hr7 INSULIN RECEPTOR

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		5 ILE A 439
ALA A 458
PHE A 427
PHE A 428
ILE A 370
 None
GOL  A 597 (-3.6A)
None
None
None
 1.13A 1dhfA-2hr7A:
undetectable		 1dhfA-2hr7A:
16.98
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
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 ( 4.1A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
None
MTX  A 605 ( 4.2A)
 0.62A 1dhfA-2oipA:
22.4		 1dhfA-2oipA:
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.
2phl PHASEOLIN

(Phaseolus
vulgaris) 		PF00190
(Cupin_1) 		5 ILE A 131
GLN A 110
THR A 319
ILE A 241
LEU A  75
 None
 1.12A 1dhfA-2phlA:
undetectable		 1dhfA-2phlA:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qf7 PYRUVATE CARBOXYLASE
PROTEIN

(Rhizobium etli) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ILE A 381
ALA A 376
GLN A 351
ILE A 442
LEU A 350
 None
 1.04A 1dhfA-2qf7A:
undetectable		 1dhfA-2qf7A:
10.71
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.
2qik UPF0131 PROTEIN YKQA

(Bacillus
subtilis) 		PF06094
(GGACT)
PF13772
(AIG2_2) 		5 PHE A 143
ILE A 194
PRO A 195
LEU A 202
TYR A 259
 None
 1.04A 1dhfA-2qikA:
undetectable		 1dhfA-2qikA:
19.66
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) 		5 ALA A   8
ILE A  51
LEU A  55
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
None
MTX  A 200 ( 4.4A)
 0.75A 1dhfA-2qk8A:
20.7		 1dhfA-2qk8A:
33.87
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.
2rci TYPE-2BA CYTOLYTIC
DELTA-ENDOTOXIN

(Bacillus
thuringiensis) 		PF01338
(Bac_thur_toxin) 		5 ILE A 186
ALA A  57
THR A 180
ILE A 126
LEU A 122
 ILE  A 186 ( 0.7A)
ALA  A  57 ( 0.0A)
THR  A 180 ( 0.8A)
ILE  A 126 ( 0.6A)
LEU  A 122 ( 0.6A)
 1.09A 1dhfA-2rciA:
undetectable		 1dhfA-2rciA:
23.29
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.
2veo LIPASE A

(Moesziomyces
antarcticus) 		PF03583
(LIP) 		5 ILE A 150
ALA A 148
ILE A 301
PRO A 300
LEU A 305
 PG4  A1443 ( 4.1A)
None
None
None
None
 1.12A 1dhfA-2veoA:
undetectable		 1dhfA-2veoA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w2i 2-OXOGLUTARATE
OXYGENASE

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		5 ILE A  15
ALA A  40
GLN A 263
ILE A  49
PRO A  50
 None
 1.07A 1dhfA-2w2iA:
undetectable		 1dhfA-2w2iA:
17.75
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
PHE A  35
THR A  50
PRO A  55
LEU A  61
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.4A)
None
VG9  A1168 ( 4.7A)
 0.31A 1dhfA-2w3wA:
21.5		 1dhfA-2w3wA:
32.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.63A 1dhfA-2w9sA:
20.8		 1dhfA-2w9sA:
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.
2wjv REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF09416
(UPF1_Zn_bind)
PF13086
(AAA_11)
PF13087
(AAA_12) 		5 ILE A 362
ALA A 343
PHE A 409
GLN A 410
ASN A 328
 None
 1.13A 1dhfA-2wjvA:
undetectable		 1dhfA-2wjvA:
13.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zii VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 74

(Saccharomyces
cerevisiae) 		PF05719
(GPP34) 		5 ILE A 287
ALA A 254
PHE A 291
ILE A 318
LEU A 298
 None
 1.19A 1dhfA-2ziiA:
undetectable		 1dhfA-2ziiA:
22.65
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.
3cl6 PUUE ALLANTOINASE

(Pseudomonas
fluorescens) 		PF01522
(Polysacc_deac_1) 		5 ILE A  95
ALA A  92
PHE A  90
ILE A 263
LEU A 258
 None
 0.99A 1dhfA-3cl6A:
undetectable		 1dhfA-3cl6A:
21.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 ALA A   6
PHE A  30
THR A  45
PRO A  50
LEU A  54
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.6A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.3A)
 0.71A 1dhfA-3dfrA:
21.3		 1dhfA-3dfrA:
31.22
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		8 ILE A  14
ALA A  16
PHE A  58
ILE A 112
PRO A 113
LEU A 119
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-4.3A)
RJ6  A 609 (-4.8A)
None
RJ6  A 609 (-4.4A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.55A 1dhfA-3dg8A:
22.4		 1dhfA-3dg8A:
25.45
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.
3dwo PROBABLE OUTER
MEMBRANE PROTEIN

(Pseudomonas
aeruginosa) 		PF03349
(Toluene_X) 		5 ILE X 373
ALA X   1
PHE X   3
ASN X 238
LEU X 282
 C8E  X 454 ( 4.0A)
None
C8E  X 454 ( 4.7A)
None
C8E  X 454 ( 4.9A)
 1.10A 1dhfA-3dwoX:
undetectable		 1dhfA-3dwoX:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fa3 2,3-DIMETHYLMALATE
LYASE

(Aspergillus
niger) 		PF13714
(PEP_mutase) 		5 ILE A 238
PRO A 240
ASN A 214
LEU A 212
THR A 101
 None
OAF  A 501 (-4.0A)
OAF  A 501 (-3.6A)
None
None
 0.98A 1dhfA-3fa3A:
undetectable		 1dhfA-3fa3A:
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.
3fn5 SORTASE A

(Streptococcus
pyogenes) 		PF04203
(Sortase) 		5 ILE A 144
GLN A 246
ILE A 105
ASN A 106
LEU A 107
 None
 1.17A 1dhfA-3fn5A:
undetectable		 1dhfA-3fn5A:
23.22
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.
3hdy UDP-GALACTOPYRANOSE
MUTASE

(Deinococcus
radiodurans) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 ILE A 256
ALA A 380
GLN A  53
ILE A 235
ASN A 234
 None
 1.19A 1dhfA-3hdyA:
undetectable		 1dhfA-3hdyA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
THR X  46
ILE X  50
LEU X  54
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.74A 1dhfA-3i8aX:
20.3		 1dhfA-3i8aX:
29.19
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 ILE A   6
ALA A   8
PHE A  32
THR A  47
ILE A  51
LEU A  55
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.1A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
None
MTX  A 164 (-4.3A)
 0.65A 1dhfA-3ia4A:
21.0		 1dhfA-3ia4A:
30.65
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 ILE A   8
ALA A  10
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 (-4.4A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.72A 1dhfA-3ix9A:
20.7		 1dhfA-3ix9A:
32.67
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.
3j23 CAPSID PROTEIN VP1
CAPSID PROTEIN VP3

(Enterovirus A;
Enterovirus A) 		PF00073
(Rhv)
PF00073
(Rhv) 		5 PHE C 224
GLN C 221
ILE C 172
LEU C 115
THR A  75
 None
 1.18A 1dhfA-3j23C:
undetectable		 1dhfA-3j23C:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kao TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE

(Staphylococcus
aureus) 		PF01791
(DeoC) 		5 ALA A  57
PHE A  26
ILE A  49
LEU A  32
THR A  61
 None
 0.99A 1dhfA-3kaoA:
undetectable		 1dhfA-3kaoA:
23.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
THR A  69
ILE A  73
LEU A  80
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
NAP  A 512 (-3.6A)
None
None
None
None
 0.61A 1dhfA-3kjrA:
22.9		 1dhfA-3kjrA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
THR A  69
ILE A  73
PRO A  74
LEU A  80
TYR A 129
 NAP  A 512 (-3.7A)
NAP  A 512 (-3.6A)
None
None
None
None
 0.91A 1dhfA-3kjrA:
22.9		 1dhfA-3kjrA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ky8 PUTATIVE RIBOFLAVIN
BIOSYNTHESIS PROTEIN

(Shewanella
loihica) 		PF01872
(RibD_C) 		5 ALA A   8
THR A  54
PRO A  66
LEU A  48
THR A 134
 UNL  A 179 ( 3.9A)
SO4  A 181 (-3.6A)
None
None
UNL  A 179 ( 4.1A)
 1.11A 1dhfA-3ky8A:
13.9		 1dhfA-3ky8A:
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.
3lvv GLUTAMATE--CYSTEINE
LIGASE

(Saccharomyces
cerevisiae) 		PF03074
(GCS) 		5 ILE A 553
ALA A 603
PHE A 562
GLN A 564
ILE A 493
 None
 1.17A 1dhfA-3lvvA:
undetectable		 1dhfA-3lvvA:
15.02
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.
3ncf PROLACTIN RECEPTOR

(Homo sapiens) 		PF09067
(EpoR_lig-bind) 		5 ILE B 125
ALA B 110
ILE B 202
PRO B 203
LEU B 172
 None
 1.15A 1dhfA-3ncfB:
undetectable		 1dhfA-3ncfB:
20.85
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.
3o5c CYTOCHROME C551
PEROXIDASE

(Shewanella
oneidensis) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		5 ALA A 165
ILE A 118
PRO A 117
LEU A  52
TYR A 149
 None
None
HEM  A 401 (-4.2A)
None
None
 1.10A 1dhfA-3o5cA:
undetectable		 1dhfA-3o5cA:
20.50
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.
3pvs REPLICATION-ASSOCIAT
ED RECOMBINATION
PROTEIN A

(Escherichia
coli) 		PF00004
(AAA)
PF12002
(MgsA_C)
PF16193
(AAA_assoc_2) 		5 ILE A 190
ALA A 222
THR A 196
ILE A 200
LEU A 174
 None
 1.12A 1dhfA-3pvsA:
undetectable		 1dhfA-3pvsA:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q9o EXOTOXIN A

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		5 ILE A 507
ALA A 520
GLN A 356
ILE A 429
THR A 518
 None
None
NAD  A 700 (-3.6A)
None
None
 1.11A 1dhfA-3q9oA:
undetectable		 1dhfA-3q9oA:
14.53
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		7 ALA A  34
PHE A  58
THR A  86
PRO A  91
LEU A  97
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
WRA  A 602 (-4.3A)
None
None
WRA  A 602 (-4.2A)
 0.50A 1dhfA-3rg9A:
22.0		 1dhfA-3rg9A:
28.98
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.
3rh9 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
(NAD(P)(+))

(Marinobacter
hydrocarbonoclasticus) 		PF00171
(Aldedh) 		5 ALA A 168
PHE A 114
PHE A 115
ILE A 159
LEU A  82
 None
 1.12A 1dhfA-3rh9A:
undetectable		 1dhfA-3rh9A:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		7 ILE A   6
ALA A   8
PHE A  32
THR A  47
ILE A  51
LEU A  55
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-4.3A)
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-4.3A)
 0.58A 1dhfA-3tq9A:
21.2		 1dhfA-3tq9A:
29.50
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A  14
PHE A  58
THR A 108
ILE A 112
PRO A 113
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.65A 1dhfA-3um6A:
22.3		 1dhfA-3um6A:
13.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		8 ALA A   8
PHE A  32
THR A  53
ILE A  57
PRO A  58
LEU A  64
TYR A 117
THR A 133
 None
None
SO4  A 201 (-3.7A)
None
None
None
None
None
 0.70A 1dhfA-3vcoA:
23.6		 1dhfA-3vcoA:
36.62
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.
3zxy SUBTILISIN-LIKE
PROTEIN

(Prochloron
didemni) 		PF00082
(Peptidase_S8) 		5 ALA A 150
THR A 124
LEU A 133
TYR A 190
THR A 221
 None
 1.17A 1dhfA-3zxyA:
undetectable		 1dhfA-3zxyA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bhc METHYLATED-DNA--PROT
EIN-CYSTEINE
METHYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF01035
(DNA_binding_1)
PF02870
(Methyltransf_1N) 		5 ILE A 123
ALA A  50
ILE A  11
PRO A  10
LEU A 149
 None
 1.10A 1dhfA-4bhcA:
undetectable		 1dhfA-4bhcA:
19.70
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.
4eu2 PROTEASOME COMPONENT
C7-ALPHA

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 ILE A  72
GLN A  56
ILE A 207
LEU A 223
THR A 142
 None
 1.18A 1dhfA-4eu2A:
undetectable		 1dhfA-4eu2A:
20.23
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) 		10 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
PRO X  66
ASN X  69
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
None
None
TOP  X 301 (-4.5A)
 0.50A 1dhfA-4g8zX:
24.6		 1dhfA-4g8zX:
37.38
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.
4gfh DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF02518
(HATPase_c)
PF16898
(TOPRIM_C) 		5 ILE A 302
ALA A 309
ILE A 244
LEU A 253
THR A 311
 None
 1.14A 1dhfA-4gfhA:
undetectable		 1dhfA-4gfhA:
10.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h6w N-TERMINAL
CYANOBACTIN PROTEASE

(Planktothrix
agardhii) 		PF00082
(Peptidase_S8) 		5 ALA A 153
THR A 127
LEU A 136
TYR A 193
THR A 224
 None
 1.16A 1dhfA-4h6wA:
undetectable		 1dhfA-4h6wA:
20.52
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
PRO A  63
LEU A  69
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
None
None
14Q  A 202 ( 4.6A)
 0.82A 1dhfA-4h96A:
21.1		 1dhfA-4h96A:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		9 ILE A   9
ALA A  11
PHE A  36
THR A  58
ILE A  62
PRO A  63
LEU A  69
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-3.8A)
NDP  A 301 (-3.5A)
14Q  A 302 (-4.2A)
14Q  A 302 (-4.4A)
None
None
14Q  A 302 (-4.2A)
 0.49A 1dhfA-4h98A:
21.9		 1dhfA-4h98A:
37.56
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.
4hoo LYSINE-SPECIFIC
DEMETHYLASE 4D

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		5 ILE A  18
ALA A  43
GLN A 266
ILE A  52
PRO A  53
 None
 1.00A 1dhfA-4hooA:
undetectable		 1dhfA-4hooA:
17.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i3g BETA-GLUCOSIDASE

(Streptomyces
venezuelae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ILE A 448
PRO A 449
ASN A 452
LEU A 476
THR A 590
 None
None
None
None
SO4  A 904 (-4.5A)
 0.76A 1dhfA-4i3gA:
undetectable		 1dhfA-4i3gA:
14.15
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.
4jhm MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME, C-TERMINAL
DOMAIN PROTEIN

(Pseudovibrio
sp. JE062) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 107
ALA A  51
ILE A  71
LEU A  90
THR A 304
 None
 1.19A 1dhfA-4jhmA:
undetectable		 1dhfA-4jhmA:
19.22
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.
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP
EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus;
Aspergillus
fumigatus) 		PF02128
(Peptidase_M36)
PF07504
(FTP) 		5 ALA B  48
ILE A 603
ASN A 599
LEU A 566
TYR B  45
 None
 1.13A 1dhfA-4k90B:
undetectable		 1dhfA-4k90B:
21.33
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.
4lxl LYSINE-SPECIFIC
DEMETHYLASE 4B

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		5 ILE A  15
ALA A  40
GLN A 263
ILE A  49
PRO A  50
 None
 1.04A 1dhfA-4lxlA:
undetectable		 1dhfA-4lxlA:
19.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
PHE A  31
THR A  46
PRO A  51
LEU A  57
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.4A)
TMQ  A 202 (-4.2A)
None
None
TMQ  A 202 (-4.2A)
 0.47A 1dhfA-4m2xA:
20.7		 1dhfA-4m2xA:
31.94
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) 		5 ILE A   5
ALA A   7
PHE A  31
LEU A  55
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 (-4.4A)
 0.60A 1dhfA-4m7vA:
19.8		 1dhfA-4m7vA:
31.96
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) 		5 ILE A   5
ALA A   7
PHE A  31
THR A  46
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.4A)
 0.32A 1dhfA-4m7vA:
19.8		 1dhfA-4m7vA:
31.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nl4 PRIMOSOME ASSEMBLY
PROTEIN PRIA

(Klebsiella
pneumoniae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ILE H 690
GLN H 693
THR H 707
ILE H 703
LEU H 669
 None
 1.18A 1dhfA-4nl4H:
2.2		 1dhfA-4nl4H:
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.
4nq8 PUTATIVE PERIPLASMIC
SUBSTRATE-BINDING
TRANSPORT PROTEIN

(Bordetella
bronchiseptica) 		PF03480
(DctP) 		5 ILE A 185
ALA A 179
THR A 229
PRO A 210
ASN A 209
 None
None
None
None
PAF  A 401 (-2.9A)
 1.05A 1dhfA-4nq8A:
undetectable		 1dhfA-4nq8A:
21.84
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.
4ora SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
BETA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		5 ILE A 312
GLN A 203
ILE A  94
PRO A  93
LEU A 200
 None
 1.11A 1dhfA-4oraA:
undetectable		 1dhfA-4oraA:
15.91
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) 		7 ILE A   5
ALA A   7
PHE A  31
THR A  46
ILE A  50
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-4.1A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
None
MTX  A 201 ( 4.5A)
 0.40A 1dhfA-4p68A:
20.9		 1dhfA-4p68A:
31.91
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.
4p9k TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Verminephrobacter
eiseniae) 		PF03480
(DctP) 		5 ILE A 195
ALA A 189
THR A 239
PRO A 220
ASN A 219
 None
None
None
None
EAX  A 401 (-2.8A)
 1.00A 1dhfA-4p9kA:
undetectable		 1dhfA-4p9kA:
19.56
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.
4pdh TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		5 ILE A 195
ALA A 189
THR A 239
PRO A 220
ASN A 219
 None
None
None
None
EAX  A 401 (-2.8A)
 0.99A 1dhfA-4pdhA:
undetectable		 1dhfA-4pdhA:
19.87
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.
4qni UNCHARACTERIZED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF14274
(DUF4361)
PF16343
(DUF4973) 		5 ILE A 269
PHE A 237
PHE A 257
ILE A 226
LEU A 334
 None
EDO  A 405 ( 4.6A)
EDO  A 403 (-4.9A)
EDO  A 403 (-4.3A)
None
 1.11A 1dhfA-4qniA:
undetectable		 1dhfA-4qniA:
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.
4udn PERIPLASMIC SOLUTE
BINDING PROTEIN

(Candidatus
Liberibacter
asiaticus) 		PF01297
(ZnuA) 		5 ALA A 238
THR A 273
ILE A 270
LEU A 244
THR A 236
 None
 1.16A 1dhfA-4udnA:
undetectable		 1dhfA-4udnA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xdo LYSINE-SPECIFIC
DEMETHYLASE 4C

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN) 		5 ILE A  16
ALA A  41
GLN A 264
ILE A  50
PRO A  51
 None
 0.95A 1dhfA-4xdoA:
undetectable		 1dhfA-4xdoA:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yhs MONOSACCHARIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT2 FAMILY

(Bradyrhizobium
sp. BTAi1) 		PF13407
(Peripla_BP_4) 		5 ILE A 136
ALA A 118
GLN A 104
ASN A 148
THR A 116
 None
 1.13A 1dhfA-4yhsA:
undetectable		 1dhfA-4yhsA:
20.45
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.
4zxb INSULIN RECEPTOR

(Homo sapiens) 		PF00041
(fn3)
PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		5 ILE E 439
ALA E 458
PHE E 427
PHE E 428
ILE E 370
 None
 1.15A 1dhfA-4zxbE:
undetectable		 1dhfA-4zxbE:
11.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT

(Azospira oryzae) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		6 ALA A 411
ILE A 403
PRO A 389
LEU A 253
TYR A 196
THR A 444
 None
 1.44A 1dhfA-5chcA:
undetectable		 1dhfA-5chcA:
15.31
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.65A 1dhfA-5dxvA:
12.2		 1dhfA-5dxvA:
27.84
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.
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
 0.88A 1dhfA-5ecxA:
20.2		 1dhfA-5ecxA:
27.03
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
 0.51A 1dhfA-5fdaA:
14.3		 1dhfA-5fdaA:
31.44
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.
5hus TREHALOSE SYNTHASE
REGULATORY PROTEIN

(Candida
albicans) 		PF02358
(Trehalose_PPase) 		5 ILE A 200
ALA A 147
ILE A 111
LEU A 207
THR A 148
 None
 1.05A 1dhfA-5husA:
3.1		 1dhfA-5husA:
22.15
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.
5i6e ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF08326
(ACC_central) 		5 ILE A1347
GLN A1354
ILE A1427
LEU A1357
TYR A1080
 None
 1.18A 1dhfA-5i6eA:
undetectable		 1dhfA-5i6eA:
12.48
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.
5lew DNA POLYMERASE III
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 5 ILE A 422
ALA A 391
PRO A 414
ASN A 413
THR A 397
 None
 1.18A 1dhfA-5lewA:
undetectable		 1dhfA-5lewA:
11.65
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 5 ILE A 671
PHE A 659
GLN A 660
THR A 569
ASN A 572
 None
 1.16A 1dhfA-5nqdA:
undetectable		 1dhfA-5nqdA:
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.
5oed RAS-RELATED PROTEIN
RAB-32

(Homo sapiens) 		no annotation 5 ILE B  82
PHE B 103
ILE B 136
PRO B 137
LEU B 124
 None
 1.14A 1dhfA-5oedB:
undetectable		 1dhfA-5oedB:
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) 		7 ALA A  10
PHE A  32
PHE A  35
THR A  83
PRO A  88
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-4.7A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.2A)
73X  A 704 (-4.0A)
None
73X  A 704 (-4.2A)
 0.71A 1dhfA-5t0lA:
23.9		 1dhfA-5t0lA:
16.02
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  10
PHE A  35
THR A  83
PRO A  88
LEU A  94
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.2A)
73X  A 704 (-4.0A)
None
None
73X  A 704 (-4.2A)
 0.47A 1dhfA-5t0lA:
23.9		 1dhfA-5t0lA:
16.02
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.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		6 ILE A1457
ALA A1476
THR A1211
ILE A1481
PRO A1482
THR A1461
 None
 1.29A 1dhfA-5vadA:
undetectable		 1dhfA-5vadA:
16.31
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.
5w66 RNA POLYMERASE
I-SPECIFIC
TRANSCRIPTION
INITIATION FACTOR
RRN7

(Saccharomyces
cerevisiae) 		no annotation 5 ILE P 314
GLN P 486
LEU P 338
TYR P 326
THR P 270
 None
 1.14A 1dhfA-5w66P:
undetectable		 1dhfA-5w66P:
14.76
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.
5wut ULAM111

(Flavobacterium
sp.) 		no annotation 5 ALA A  87
PHE A  13
THR A  74
ILE A  72
LEU A  18
 None
 1.07A 1dhfA-5wutA:
undetectable		 1dhfA-5wutA:
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.
5z0y SERINE
HYDROXYMETHYLTRANSFE
RASE

(Komagataella
phaffii) 		no annotation 5 ALA A 307
GLN A  89
THR A 245
ASN A 106
THR A 306
 None
 1.17A 1dhfA-5z0yA:
undetectable		 1dhfA-5z0yA:
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.
6aon DIHYDROLIPOYL
DEHYDROGENASE

(Bordetella
pertussis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 241
ALA A 235
PHE A 218
THR A 362
ILE A 366
 None
 1.10A 1dhfA-6aonA:
undetectable		 1dhfA-6aonA:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b6m CYANATE HYDRATASE

(Serratia
proteamaculans) 		no annotation 5 ALA A  57
THR A   2
ILE A  78
PRO A  79
THR A  36
 None
 1.06A 1dhfA-6b6mA:
undetectable		 1dhfA-6b6mA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 8 ILE A   6
ALA A   8
PHE A  32
THR A  47
PRO A  52
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.43A 1dhfA-6cxmA:
20.3		 1dhfA-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
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.76A 1dhfA-6e4eA:
20.4		 1dhfA-6e4eA:
undetectable