SIMILAR PATTERNS OF AMINO ACIDS FOR 1DRF_A_FOLA187

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
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
LEU A  22
ARG A  28
SER A  59
ILE A  60
PRO A  61
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
None
NAP  A 191 ( 4.1A)
None
None
 1.18A 1drfA-1dr6A:
31.0		 1drfA-1dr6A:
74.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		9 ILE A   7
ALA A   9
LEU A  22
PHE A  34
SER A  59
ILE A  60
PRO A  61
LEU A  67
TYR A 121
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-4.1A)
NAP  A 191 ( 4.1A)
None
None
None
None
 0.67A 1drfA-1dr6A:
31.0		 1drfA-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.
1hle HORSE LEUKOCYTE
ELASTASE INHIBITOR
HORSE LEUKOCYTE
ELASTASE INHIBITOR

(Equus caballus;
Equus caballus) 		PF00079
(Serpin)
PF00079
(Serpin) 		5 LEU A 288
PHE B 370
PHE B 372
LEU A 293
TYR A 244
 None
 1.09A 1drfA-1hleA:
undetectable		 1drfA-1hleA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i0a DELTA CRYSTALLIN I

(Meleagris
gallopavo) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		5 ILE A 243
LEU A 121
PHE A 238
ARG A 193
LEU A 314
 None
 0.86A 1drfA-1i0aA:
undetectable		 1drfA-1i0aA:
16.85
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.
1jmo HEPARIN COFACTOR II

(Homo sapiens) 		PF00079
(Serpin) 		6 ILE A 460
LEU A 375
PHE A 456
PHE A 458
PRO A 477
LEU A 380
 None
 1.21A 1drfA-1jmoA:
undetectable		 1drfA-1jmoA:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jmo HEPARIN COFACTOR II

(Homo sapiens) 		PF00079
(Serpin) 		6 ILE A 460
PHE A 456
PHE A 458
PRO A 477
LEU A 380
TYR A 330
 None
 1.31A 1drfA-1jmoA:
undetectable		 1drfA-1jmoA:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mdw CALPAIN II,
CATALYTIC SUBUNIT

(Rattus
norvegicus) 		PF00648
(Peptidase_C2) 		5 ILE A 188
ARG A 123
PHE A 143
ILE A 111
LEU A 181
 None
 1.09A 1drfA-1mdwA:
undetectable		 1drfA-1mdwA:
18.15
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.
1ng0 COAT PROTEIN

(Cocksfoot
mottle virus) 		PF00729
(Viral_coat) 		5 ALA A  94
SER A 239
ILE A 241
PRO A 110
LEU A 243
 ALA  A  94 ( 0.0A)
SER  A 239 ( 0.0A)
ILE  A 241 ( 0.7A)
PRO  A 110 ( 1.1A)
LEU  A 243 ( 0.6A)
 0.99A 1drfA-1ng0A:
undetectable		 1drfA-1ng0A:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ouu HEMOGLOBIN I

(Oncorhynchus
mykiss) 		PF00042
(Globin) 		5 ILE B  11
ALA B  13
PHE B 118
ILE B  23
LEU B 110
 None
 1.08A 1drfA-1ouuB:
undetectable		 1drfA-1ouuB:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1smq RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SMALL CHAIN 1

(Saccharomyces
cerevisiae) 		PF00268
(Ribonuc_red_sm) 		5 ILE A 187
LEU A 315
SER A 246
ILE A 250
LEU A 262
 None
 1.11A 1drfA-1smqA:
undetectable		 1drfA-1smqA:
16.79
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) 		5 ALA A   9
SER A  59
PRO A  61
LEU A  67
TYR A 121
 NDP  A 188 (-3.6A)
NDP  A 188 ( 3.8A)
MTX  A 187 (-4.8A)
MTX  A 187 ( 4.5A)
None
 0.83A 1drfA-1u70A:
30.9		 1drfA-1u70A:
89.25
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) 		9 ILE A   7
ALA A   9
PHE A  31
PHE A  34
GLN A  35
ILE A  60
PRO A  61
LEU A  67
TYR A 121
 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)
MTX  A 187 ( 4.2A)
MTX  A 187 (-4.8A)
MTX  A 187 ( 4.5A)
None
 0.47A 1drfA-1u70A:
30.9		 1drfA-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) 		8 ALA A   9
ARG A  32
PHE A  34
SER A  59
ILE A  60
PRO A  61
LEU A  67
TYR A 121
 MXA  A 187 (-3.6A)
None
MXA  A 187 (-3.9A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
MXA  A 187 (-4.4A)
None
None
 0.99A 1drfA-1u71A:
33.4		 1drfA-1u71A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		8 ILE A   7
ALA A   9
PHE A  34
SER A  59
ILE A  60
PRO A  61
LEU A  67
TYR A 121
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
MXA  A 187 (-4.4A)
None
None
 0.31A 1drfA-1u71A:
33.4		 1drfA-1u71A:
99.46
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 ILE A   7
PHE A  31
PHE A  34
SER A  59
ILE A  60
PRO A  61
 MXA  A 187 (-4.5A)
MXA  A 187 (-4.3A)
MXA  A 187 (-3.9A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
MXA  A 187 (-4.4A)
 1.21A 1drfA-1u71A:
33.4		 1drfA-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.
1yf2 TYPE I
RESTRICTION-MODIFICA
TION ENZYME, S
SUBUNIT

(Methanocaldococcus
jannaschii) 		PF01420
(Methylase_S) 		5 ALA A 135
LEU A 417
PRO A 166
LEU A 125
TYR A 141
 None
 1.07A 1drfA-1yf2A:
undetectable		 1drfA-1yf2A:
17.18
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.
1yln HYPOTHETICAL PROTEIN
VCA0042

(Vibrio cholerae) 		PF07238
(PilZ)
PF12945
(YcgR_2) 		5 ILE A  61
ALA A 122
ILE A 126
PRO A 127
LEU A  33
 OSE  A  39 ( 4.5A)
None
None
None
None
 1.10A 1drfA-1ylnA:
undetectable		 1drfA-1ylnA:
21.54
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) 		6 ILE A   5
ALA A   7
LEU A  20
PHE A  31
ILE A  50
LEU A  54
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
 0.62A 1drfA-1zdrA:
20.4		 1drfA-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
LEU A  45
PHE A  57
SER A 120
ILE A 121
LEU A 128
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
 0.61A 1drfA-2blbA:
22.1		 1drfA-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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		8 ILE A  13
ALA A  15
LEU A  45
SER A 120
ILE A 121
PRO A 122
LEU A 128
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
None
 0.67A 1drfA-2blbA:
22.1		 1drfA-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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		6 ILE A  13
ALA A  15
PHE A  57
SER A 117
ILE A 121
LEU A 128
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-2.9A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
 1.35A 1drfA-2blbA:
22.1		 1drfA-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.
2db3 ATP-DEPENDENT RNA
HELICASE VASA

(Drosophila
melanogaster) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ILE A 455
LEU A 285
PHE A 431
ILE A 276
PRO A 302
 None
 1.01A 1drfA-2db3A:
undetectable		 1drfA-2db3A:
15.67
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
PHE A  52
SER A  83
ILE A  84
PRO A  85
LEU A  91
TYR A 160
 NAP  A 523 (-3.7A)
None
NAP  A 523 ( 4.4A)
None
None
None
None
 0.59A 1drfA-2h2qA:
21.6		 1drfA-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.
2in2 PICORNAIN 3C

(Rhinovirus B) 		PF00548
(Peptidase_C3) 		5 ILE A  90
LEU A  72
SER A 170
ILE A 135
LEU A  94
 None
 1.05A 1drfA-2in2A:
undetectable		 1drfA-2in2A:
22.45
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
LEU A  25
PHE A  36
SER A  61
ILE A  62
LEU A  67
TYR A 119
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
None
 0.65A 1drfA-2oipA:
22.2		 1drfA-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.
2q27 OXALYL-COA
DECARBOXYLASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ILE A 530
LEU A 522
ARG A 384
ILE A 444
LEU A 391
 None
 0.92A 1drfA-2q27A:
undetectable		 1drfA-2q27A:
15.12
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.
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
 1.07A 1drfA-2qf7A:
undetectable		 1drfA-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
 0.90A 1drfA-2qikA:
undetectable		 1drfA-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
LEU A  21
ILE A  51
LEU A  55
TYR A 102
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
None
 0.84A 1drfA-2qk8A:
21.2		 1drfA-2qk8A:
33.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 ALA A  11
PHE A  35
SER A  53
PRO A  55
LEU A  61
TYR A 108
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.9A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.4A)
None
 0.44A 1drfA-2w3wA:
21.7		 1drfA-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) 		5 ALA A   7
LEU A  20
SER A  49
ILE A  50
LEU A  54
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
 1.08A 1drfA-2w9sA:
20.8		 1drfA-2w9sA:
32.45
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 ILE A   5
ALA A   7
LEU A  20
ILE A  50
LEU A  54
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-4.4A)
None
None
 0.65A 1drfA-2w9sA:
20.8		 1drfA-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.
2z0l EARLY ANTIGEN
PROTEIN D

(Human
gammaherpesvirus
4) 		PF04929
(Herpes_DNAp_acc) 		5 ILE A  59
ALA A 250
GLN A  25
ILE A 257
PRO A 258
 None
CL  A 509 ( 4.3A)
None
None
None
 1.03A 1drfA-2z0lA:
undetectable		 1drfA-2z0lA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z0l EARLY ANTIGEN
PROTEIN D

(Human
gammaherpesvirus
4) 		PF04929
(Herpes_DNAp_acc) 		5 ILE A  59
GLN A  25
SER A 261
ILE A 257
PRO A 258
 None
 0.96A 1drfA-2z0lA:
undetectable		 1drfA-2z0lA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a31 PROBABLE
THREONYL-TRNA
SYNTHETASE 1

(Aeropyrum
pernix) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 ALA A  13
LEU A 154
PHE A  44
ILE A 317
LEU A  55
 None
 1.05A 1drfA-3a31A:
undetectable		 1drfA-3a31A:
19.21
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.
3d7n FLAVODOXIN,
WRBA-LIKE PROTEIN

(Agrobacterium
fabrum) 		PF03358
(FMN_red) 		5 ILE A  38
LEU A 114
PHE A  76
ILE A  58
LEU A  52
 None
 1.03A 1drfA-3d7nA:
undetectable		 1drfA-3d7nA:
21.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
LEU A  19
PHE A  30
SER A  48
LEU A  54
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 4.0A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.4A)
 0.75A 1drfA-3dfrA:
21.2		 1drfA-3dfrA:
31.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
LEU A  19
PHE A  30
SER A  48
PRO A  50
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 4.0A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.6A)
 0.72A 1drfA-3dfrA:
21.2		 1drfA-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) 		9 ILE A  14
ALA A  16
LEU A  46
PHE A  58
SER A 111
ILE A 112
PRO A 113
LEU A 119
TYR A 170
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-4.3A)
RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.8A)
None
RJ6  A 609 (-4.4A)
NDP  A 610 ( 4.9A)
 0.61A 1drfA-3dg8A:
22.5		 1drfA-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.
3dkp PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX52

(Homo sapiens) 		PF00270
(DEAD) 		5 ILE A 376
LEU A 205
PHE A 352
ILE A 196
PRO A 222
 None
 0.99A 1drfA-3dkpA:
undetectable		 1drfA-3dkpA:
22.18
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.
3duh INTERLEUKIN-23
SUBUNIT ALPHA

(Homo sapiens) 		PF16649
(IL23) 		5 ILE C  52
ALA C 157
LEU C 112
GLN C  72
ILE C  79
 None
 1.11A 1drfA-3duhC:
undetectable		 1drfA-3duhC:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3egl DEGV FAMILY PROTEIN

(Corynebacterium
glutamicum) 		PF02645
(DegV) 		6 ILE A 240
LEU A  72
PHE A 171
SER A 149
ILE A 146
LEU A 140
 PLM  A 275 ( 4.4A)
PLM  A 275 ( 4.2A)
None
MLY  A 148 ( 4.2A)
None
None
 1.26A 1drfA-3eglA:
undetectable		 1drfA-3eglA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE

(Trichoderma
reesei) 		PF00026
(Asp) 		5 ILE A 268
LEU A 203
PHE A 257
ILE A 207
LEU A 223
 None
 1.06A 1drfA-3emyA:
undetectable		 1drfA-3emyA:
19.69
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
LEU X  20
SER X  49
ILE X  50
LEU X  54
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
None
None
 1.11A 1drfA-3i8aX:
20.4		 1drfA-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) 		7 ILE A   6
ALA A   8
PHE A  32
SER A  50
ILE A  51
LEU A  55
TYR A 102
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.1A)
NDP  A 163 ( 3.8A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
None
 0.77A 1drfA-3ia4A:
21.1		 1drfA-3ia4A:
30.65
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.
3iuu PUTATIVE
METALLOPEPTIDASE

(Chelativorans
sp. BNC1) 		PF07171
(MlrC_C)
PF07364
(DUF1485) 		5 ILE A  99
LEU A  47
ARG A  60
GLN A  94
ILE A  65
 None
 1.11A 1drfA-3iuuA:
undetectable		 1drfA-3iuuA:
18.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		5 ILE A   8
ALA A  10
LEU A  23
PHE A  34
LEU A  58
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 (-4.4A)
MTX  A 200 ( 4.0A)
 0.83A 1drfA-3ix9A:
21.5		 1drfA-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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
SER A  72
ILE A  73
LEU A  80
TYR A 129
 NAP  A 512 (-3.7A)
NAP  A 512 ( 4.2A)
None
None
None
 0.68A 1drfA-3kjrA:
22.2		 1drfA-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) 		5 SER A  72
ILE A  73
PRO A  74
LEU A  80
TYR A 129
 NAP  A 512 ( 4.2A)
None
None
None
None
 0.77A 1drfA-3kjrA:
22.2		 1drfA-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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 ILE A 709
ALA A 681
LEU A 669
ILE A 764
PRO A 765
 None
 0.96A 1drfA-3lppA:
undetectable		 1drfA-3lppA:
12.91
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.
3nda SERPIN-2

(Ixodes ricinus) 		PF00079
(Serpin) 		5 LEU A 272
PHE A 356
PHE A 358
LEU A 277
TYR A 226
 None
 1.07A 1drfA-3ndaA:
undetectable		 1drfA-3ndaA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 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
SER A  89
PRO A  91
LEU A  97
TYR A 166
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
WRA  A 602 ( 4.2A)
WRA  A 602 (-4.3A)
None
None
 0.56A 1drfA-3rg9A:
21.6		 1drfA-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.
3rip GAMMA-TUBULIN
COMPLEX COMPONENT 4

(Homo sapiens) 		PF04130
(Spc97_Spc98) 		5 ALA A 400
PHE A 369
ARG A 485
PHE A 372
LEU A 452
 None
 1.06A 1drfA-3ripA:
undetectable		 1drfA-3ripA:
14.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s5u PUTATIVE
UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF09711
(Cas_Csn2) 		5 ILE A 135
ALA A 132
PHE A 130
ILE A  97
LEU A  87
 None
 1.09A 1drfA-3s5uA:
undetectable		 1drfA-3s5uA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 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
LEU A  21
PHE A  32
SER A  50
ILE A  51
LEU A  55
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-4.3A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
 0.75A 1drfA-3tq9A:
21.3		 1drfA-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.
3u9w LEUKOTRIENE A-4
HYDROLASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 ILE A1476
ALA A1478
LEU A1483
ILE A1517
LEU A1541
 None
 0.95A 1drfA-3u9wA:
undetectable		 1drfA-3u9wA:
14.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A  14
LEU A  46
PHE A  58
SER A 111
PRO A 113
LEU A 119
TYR A 170
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
None
None
None
 0.86A 1drfA-3um6A:
22.1		 1drfA-3um6A:
13.98
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) 		7 ILE A  14
LEU A  46
SER A 111
ILE A 112
PRO A 113
LEU A 119
TYR A 170
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.87A 1drfA-3um6A:
22.1		 1drfA-3um6A:
13.98
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.
3ut3 PLASMINOGEN
ACTIVATOR INHIBITOR
1

(Homo sapiens) 		PF00079
(Serpin) 		6 LEU A 275
PHE A 358
PHE A 360
GLN A 375
PRO A 379
TYR A 228
 None
 1.23A 1drfA-3ut3A:
undetectable		 1drfA-3ut3A:
18.46
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) 		7 ALA A   8
PHE A  32
SER A  56
ILE A  57
PRO A  58
LEU A  64
TYR A 117
 None
 0.54A 1drfA-3vcoA:
23.8		 1drfA-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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 ALA A2109
PHE A2132
SER A2198
ILE A2199
LEU A2219
 None
 0.99A 1drfA-3vkgA:
undetectable		 1drfA-3vkgA:
4.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e0h MITOCHONDRIAL
FAD-LINKED
SULFHYDRYL OXIDASE
ERV1

(Saccharomyces
cerevisiae) 		PF04777
(Evr1_Alr) 		5 ILE A 127
LEU A  98
GLN A 119
ILE A 141
PRO A 146
 None
 1.01A 1drfA-4e0hA:
undetectable		 1drfA-4e0hA:
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.
4e4r PHOSPHATE
ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF01515
(PTA_PTB) 		5 ALA A 115
LEU A  81
SER A  75
ILE A  70
PRO A  72
 None
 1.10A 1drfA-4e4rA:
undetectable		 1drfA-4e4rA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli) 		PF01522
(Polysacc_deac_1)
PF14883
(GHL13) 		5 PHE A 120
PHE A 113
ILE A 127
PRO A 126
LEU A  74
 None
 1.10A 1drfA-4f9dA:
undetectable		 1drfA-4f9dA:
13.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fcs VERSATILE PEROXIDASE
VPL2

(Pleurotus
eryngii) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 ALA A 266
PHE A 122
SER A  98
ILE A  97
LEU A  17
 None
 0.97A 1drfA-4fcsA:
undetectable		 1drfA-4fcsA:
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.
4fnv HEPARINASE III
PROTEIN, HEPARITIN
SULFATE LYASE

(Bacteroides
thetaiotaomicron) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		5 ILE A 215
ALA A 270
LEU A 293
GLN A 208
LEU A 209
 None
 1.05A 1drfA-4fnvA:
undetectable		 1drfA-4fnvA:
15.03
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
LEU X  25
SER X  64
ILE X  65
PRO X  66
LEU X  72
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
None
 0.95A 1drfA-4g8zX:
24.4		 1drfA-4g8zX:
37.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		8 ILE X  10
ALA X  12
LEU X  25
PHE X  36
ILE X  65
PRO X  66
LEU X  72
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
None
 0.68A 1drfA-4g8zX:
24.4		 1drfA-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.
4gg2 GAMMA-GLUTAMYLTRANSP
EPTIDASE 1 HEAVY
CHAIN

(Homo sapiens) 		PF01019
(G_glu_transpept) 		5 ALA A  68
LEU A  89
ARG A 147
GLN A 146
ILE A 138
 None
 1.11A 1drfA-4gg2A:
undetectable		 1drfA-4gg2A:
18.47
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) 		6 ALA A  11
ARG A  34
PHE A  36
ILE A  62
LEU A  69
TYR A 118
 14Q  A 202 ( 3.7A)
None
14Q  A 202 (-4.0A)
14Q  A 202 ( 4.8A)
None
None
 1.32A 1drfA-4h96A:
20.9		 1drfA-4h96A:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		7 ILE A   9
ALA A  11
PHE A  36
ILE A  62
PRO A  63
LEU A  69
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
14Q  A 202 ( 4.8A)
None
None
None
 0.73A 1drfA-4h96A:
20.9		 1drfA-4h96A:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		7 ILE A   9
PHE A  36
SER A  61
ILE A  62
PRO A  63
LEU A  69
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 (-4.0A)
14Q  A 202 (-3.9A)
14Q  A 202 ( 4.8A)
None
None
None
 0.75A 1drfA-4h96A:
20.9		 1drfA-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) 		8 ALA A  11
LEU A  25
PHE A  36
SER A  61
ILE A  62
PRO A  63
LEU A  69
TYR A 127
 14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-3.8A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
14Q  A 302 (-4.4A)
None
None
 0.75A 1drfA-4h98A:
21.6		 1drfA-4h98A:
37.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		8 ILE A   9
ALA A  11
LEU A  25
PHE A  36
ILE A  62
PRO A  63
LEU A  69
TYR A 127
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-3.8A)
14Q  A 302 (-4.2A)
14Q  A 302 (-4.4A)
None
None
 0.55A 1drfA-4h98A:
21.6		 1drfA-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.
4j6c CYTOCHROME P450
MONOOXYGENASE

(Nocardia
farcinica) 		PF00067
(p450) 		5 ILE A 253
ALA A 256
PHE A 375
ILE A 406
LEU A 133
 None
 1.03A 1drfA-4j6cA:
undetectable		 1drfA-4j6cA:
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.
4lut ALANINE RACEMASE

(Clostridioides
difficile) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ALA A  42
ARG A  18
SER A 208
ILE A 227
LEU A 244
 None
None
DCS  A 401 (-2.3A)
None
None
 0.98A 1drfA-4lutA:
undetectable		 1drfA-4lutA:
20.32
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.
4lvr INTRAFLAGELLAR
TRANSPORT PROTEIN 81

(Chlamydomonas
reinhardtii) 		no annotation 5 ILE A  44
LEU A  36
PHE A  41
ILE A  99
LEU A  69
 None
 1.03A 1drfA-4lvrA:
undetectable		 1drfA-4lvrA:
22.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
PHE A  31
SER A  49
PRO A  51
LEU A  57
TYR A 100
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.6A)
TMQ  A 202 (-4.2A)
None
None
 0.46A 1drfA-4m2xA:
20.8		 1drfA-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
LEU A  20
PHE A  31
LEU A  55
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
 0.76A 1drfA-4m7vA:
20.7		 1drfA-4m7vA:
31.96
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) 		6 ILE A   5
ALA A   7
PHE A  31
SER A  49
ILE A  50
TYR A 100
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.7A)
MTX  A 201 (-4.7A)
None
 0.63A 1drfA-4p68A:
20.7		 1drfA-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.
4qhs FLAGELLAR REGULATORY
PROTEIN C

(Vibrio cholerae) 		PF00158
(Sigma54_activat) 		5 ILE A 227
LEU A 239
PHE A 201
ARG A 254
PHE A 219
 None
 1.08A 1drfA-4qhsA:
undetectable		 1drfA-4qhsA:
24.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4roa SERPIN 2

(Anopheles
gambiae) 		PF00079
(Serpin) 		5 LEU A 297
PHE A 386
PHE A 388
PRO A 407
TYR A 251
 None
 1.10A 1drfA-4roaA:
undetectable		 1drfA-4roaA:
17.84
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.
4zgp CELL DIVISION CYCLE
PROTEIN 123

(Schizosaccharomyces
pombe) 		PF07065
(D123) 		5 ALA A 235
ARG A 176
PHE A 175
ILE A 202
LEU A 271
 None
ADP  A 301 (-4.6A)
None
None
None
 1.07A 1drfA-4zgpA:
undetectable		 1drfA-4zgpA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
PHE A  48
SER A  66
ILE A  67
LEU A  71
TYR A 117
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
 0.54A 1drfA-5dxvA:
12.5		 1drfA-5dxvA:
27.84
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) 		6 ILE A   6
ALA A   8
SER A  50
ILE A  51
LEU A  55
TYR A 101
 None
 0.61A 1drfA-5fdaA:
14.7		 1drfA-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.
5fei DISTAL TUBE PROTEIN

(Bacillus virus
phi29) 		PF16838
(Caud_tail_N) 		5 ILE A 297
PHE A 281
ILE A 302
PRO A 303
LEU A 263
 None
 0.90A 1drfA-5feiA:
undetectable		 1drfA-5feiA:
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.
5fwx GLUTAMATE RECEPTOR 4

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 ILE B 204
ALA B 236
LEU B 358
ILE B 226
LEU B 197
 None
 1.07A 1drfA-5fwxB:
undetectable		 1drfA-5fwxB:
17.96
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.
5jta NEUTRAL TREHALASE

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A 579
PHE A 360
ILE A 635
PRO A 632
LEU A 316
 None
 1.09A 1drfA-5jtaA:
undetectable		 1drfA-5jtaA:
13.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m4a NEUTRAL TREHALASE

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A 579
PHE A 360
ILE A 635
PRO A 632
LEU A 316
 None
 1.12A 1drfA-5m4aA:
undetectable		 1drfA-5m4aA:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 5 ILE A 752
ALA A 724
LEU A 712
ILE A 824
PRO A 825
 None
 1.05A 1drfA-5nn8A:
undetectable		 1drfA-5nn8A:
12.62
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.
5o1w PROTEIN NRD1

(Saccharomyces
cerevisiae) 		PF00076
(RRM_1) 		5 ILE A 462
ARG A 413
PHE A 410
ILE A 334
LEU A 430
 None
 1.00A 1drfA-5o1wA:
undetectable		 1drfA-5o1wA:
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  10
LEU A  23
PHE A  32
PHE A  35
SER A  86
PRO A  88
LEU A  94
TYR A 157
 73X  A 704 (-4.0A)
None
73X  A 704 (-4.7A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.8A)
73X  A 704 (-4.0A)
None
None
 0.54A 1drfA-5t0lA:
23.9		 1drfA-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.
5xvd HYDROGENASE-2 SMALL
CHAIN

(Citrobacter sp.
MGH106) 		no annotation 5 LEU S 177
ARG S 189
PHE S 185
ILE S 151
PRO S 152
 None
 1.10A 1drfA-5xvdS:
undetectable		 1drfA-5xvdS:
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.
5y6q ALDEHYDE OXIDASE
SMALL SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 5 ILE A 118
PHE A  95
ARG A  93
GLN A 152
ILE A 147
 None
 1.12A 1drfA-5y6qA:
undetectable		 1drfA-5y6qA:
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.
5y9s VV2_1132

(Vibrio
vulnificus) 		no annotation 6 ILE A 135
LEU A 105
PHE A 206
ILE A 275
PRO A 248
TYR A 280
 BR  A 401 ( 4.2A)
None
None
None
None
None
 1.38A 1drfA-5y9sA:
2.2		 1drfA-5y9sA:
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.
5z9z SMALL RNA DEGRADING
NUCLEASE 1

(Arabidopsis
thaliana) 		no annotation 5 ILE A 372
GLN A 333
ILE A 322
PRO A 323
LEU A 331
 None
 0.81A 1drfA-5z9zA:
undetectable		 1drfA-5z9zA:
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.
6ar2 SARCOLEMMAL
MEMBRANE-ASSOCIATED
PROTEIN

(Homo sapiens) 		no annotation 5 ILE A  30
LEU A 127
GLN A  70
ILE A  80
LEU A  85
 None
 1.11A 1drfA-6ar2A:
undetectable		 1drfA-6ar2A:
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.
6b4m MONOTREME LACTATION
PROTEIN

(Ornithorhynchus
anatinus) 		no annotation 5 LEU A 159
PHE A 142
PHE A 141
ILE A  51
LEU A  41
 None
None
None
None
IOD  A 403 ( 4.8A)
 1.11A 1drfA-6b4mA:
undetectable		 1drfA-6b4mA:
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 7 ILE A   6
ALA A   8
PHE A  32
SER A  50
PRO A  52
LEU A  58
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
None
 0.54A 1drfA-6cxmA:
20.1		 1drfA-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.
6en9 HYDROGENASE-2 SMALL
CHAIN

(Escherichia
coli) 		no annotation 5 LEU S 177
ARG S 189
PHE S 185
ILE S 151
PRO S 152
 None
 1.10A 1drfA-6en9S:
undetectable		 1drfA-6en9S:
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.
1bbu PROTEIN (LYSYL-TRNA
SYNTHETASE)

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 GLU A 256
ASN A 424
ARG A 262
THR A 207
 None
LYS  A 505 (-4.0A)
LYS  A 505 (-4.0A)
None
 1.37A 1drfA-1bbuA:
0.2		 1drfA-1bbuA:
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		4 GLU A  29
ASN A  24
ARG A  88
THR A  17
 None
NAG  A 652 (-1.8A)
None
None
 1.38A 1drfA-1mz5A:
0.0		 1drfA-1mz5A:
17.02
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) 		4 GLU A  30
ASN A  64
ARG A  70
THR A 136
 MTX  A 187 (-3.0A)
MTX  A 187 (-3.6A)
MTX  A 187 (-3.1A)
MTX  A 187 (-4.4A)
 0.78A 1drfA-1u70A:
30.9		 1drfA-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) 		4 GLU A  30
ASN A  64
ARG A  70
THR A 136
 MXA  A 187 (-2.9A)
MXA  A 187 (-4.5A)
None
MXA  A 187 (-4.3A)
 0.80A 1drfA-1u71A:
33.4		 1drfA-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.
2grv LPQW

(Mycolicibacterium
smegmatis) 		PF00496
(SBP_bac_5) 		4 GLU A 551
ASN A 520
ARG A 447
THR A 339
 None
 0.95A 1drfA-2grvA:
0.0		 1drfA-2grvA:
14.65
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.
3jb9 PRE-MRNA-SPLICING
FACTOR SPP42

(Schizosaccharomyces
pombe) 		PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		4 GLU A1784
ASN A1734
ARG A1772
THR A1907
 None
 1.33A 1drfA-3jb9A:
0.0		 1drfA-3jb9A:
6.21
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.
3o0y LIPOPROTEIN

(Colwellia
psychrerythraea) 		PF05960
(DUF885) 		4 GLU A 478
ASN A 467
ARG A 545
THR A 434
 None
None
SO4  A 610 (-2.7A)
None
 1.34A 1drfA-3o0yA:
0.0		 1drfA-3o0yA:
14.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 GLU A 283
ASN A  86
ARG A  93
THR A 154
 None
 1.45A 1drfA-4b3iA:
1.6		 1drfA-4b3iA:
13.14
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) 		4 GLU X  32
ASN X  69
ARG X  75
THR X 144
 TOP  X 301 (-3.0A)
None
None
TOP  X 301 (-4.5A)
 0.85A 1drfA-4g8zX:
24.4		 1drfA-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.
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNI

(Escherichia
coli) 		PF05861
(PhnI) 		4 GLU C 252
ASN C 257
ARG C 189
THR C  96
 None
 1.33A 1drfA-4xb6C:
undetectable		 1drfA-4xb6C:
18.23
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.
5iva LPS-ASSEMBLY PROTEIN
LPTD
LPS-ASSEMBLY
LIPOPROTEIN LPTE

(Pseudomonas
aeruginosa;
Pseudomonas
aeruginosa) 		PF04453
(OstA_C)
PF04390
(LptE) 		4 GLU B 112
ASN A 564
ARG A 567
THR A 170
 None
 1.42A 1drfA-5ivaB:
undetectable		 1drfA-5ivaB:
22.32
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.
5u70 POTASSIUM CHANNEL
SUBFAMILY T MEMBER 1

(Gallus gallus) 		PF03493
(BK_channel_a)
PF07885
(Ion_trans_2) 		4 GLU A 371
ASN A 611
ARG A 517
THR A 950
 None
 1.42A 1drfA-5u70A:
undetectable		 1drfA-5u70A:
10.25
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.
6eq8 PERIPLASMIC
ALPHA-GALACTOSIDE-BI
NDING PROTEIN

(Agrobacterium
tumefaciens) 		no annotation 4 GLU D 546
ASN D 558
ARG D 532
THR D 229
 None
 1.50A 1drfA-6eq8D:
undetectable		 1drfA-6eq8D:
undetectable