SIMILAR PATTERNS OF AMINO ACIDS FOR 3DFR_A_MTXA164

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.
1a80 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE A

(Corynebacterium
sp.) 		PF00248
(Aldo_ket_red) 		5 LEU A  99
ASP A 103
HIS A  43
LEU A  37
ALA A  66
 None
 1.08A 3dfrA-1a80A:
undetectable		 3dfrA-1a80A:
19.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		5 ALA A   8
ASP A  27
LEU A  55
ARG A  58
THR A 121
 None
 0.71A 3dfrA-1cz3A:
19.2		 3dfrA-1cz3A:
30.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dbv GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 LEU O 109
ALA O 105
HIS O 141
LEU O 333
ALA O 113
 None
 1.12A 3dfrA-1dbvO:
undetectable		 3dfrA-1dbvO:
20.36
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
SER A  59
LEU A  67
ARG A  70
THR A 136
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
NAP  A 191 ( 4.1A)
None
None
HBI  A 198 ( 4.5A)
 0.56A 3dfrA-1dr6A:
21.5		 3dfrA-1dr6A:
34.02
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) 		5 ALA A   9
LEU A  22
SER A  59
PRO A  61
THR A 136
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
NAP  A 191 ( 4.1A)
None
HBI  A 198 ( 4.5A)
 0.75A 3dfrA-1dr6A:
21.5		 3dfrA-1dr6A:
34.02
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.
1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE

(Escherichia
coli) 		PF00982
(Glyco_transf_20) 		5 LEU A 274
LEU A 313
SER A 259
LEU A 332
ALA A 275
 None
 1.03A 3dfrA-1gz5A:
undetectable		 3dfrA-1gz5A:
14.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		6 LEU A  28
ASP A  36
LEU A  37
PRO A  60
LEU A  63
ARG A  66
 None
 0.93A 3dfrA-1juvA:
17.9		 3dfrA-1juvA:
26.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		6 LEU A  28
ASP A  36
LEU A  37
SER A  58
PRO A  60
LEU A  63
 None
None
None
NDP  A 194 ( 3.9A)
None
None
 0.81A 3dfrA-1juvA:
17.9		 3dfrA-1juvA:
26.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1re5 3-CARBOXY-CIS,CIS-MU
CONATE
CYCLOISOMERASE

(Pseudomonas
putida) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		6 ALA A 104
LEU A  35
ASP A 108
LEU A 221
ALA A 206
THR A 105
 None
 1.47A 3dfrA-1re5A:
undetectable		 3dfrA-1re5A:
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.
1t5c CENTROMERIC PROTEIN
E

(Homo sapiens) 		PF00225
(Kinesin) 		5 ALA A  67
LEU A 233
HIS A 111
LEU A 127
ALA A  74
 None
 1.12A 3dfrA-1t5cA:
undetectable		 3dfrA-1t5cA:
17.07
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) 		5 ALA A   9
SER A  59
LEU A  67
ARG A  70
THR A 136
 MXA  A 187 (-3.6A)
MXA  A 187 (-3.8A)
None
None
MXA  A 187 (-4.3A)
 0.76A 3dfrA-1u71A:
21.0		 3dfrA-1u71A:
30.69
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.
1w78 FOLC BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A 129
ALA A 131
LEU A 145
LEU A  32
ALA A  39
 None
 1.07A 3dfrA-1w78A:
3.8		 3dfrA-1w78A:
18.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wdt ELONGATION FACTOR G
HOMOLOG

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		5 ASP A  80
LEU A  14
LEU A 264
ALA A  28
THR A  49
 MG  A 701 ( 4.1A)
None
None
None
None
 1.00A 3dfrA-1wdtA:
undetectable		 3dfrA-1wdtA:
12.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wk9 VALYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1) 		5 LEU A 269
HIS A 275
LEU A 288
ALA A 227
THR A 214
 TSB  A 999 (-4.1A)
None
None
None
TSB  A 999 (-4.4A)
 0.96A 3dfrA-1wk9A:
undetectable		 3dfrA-1wk9A:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wwm HYPOTHETICAL PROTEIN
TT2028

(Thermus
thermophilus) 		no annotation 5 LEU A  22
ALA A 125
LEU A 179
PRO A  13
ALA A  21
 None
 1.00A 3dfrA-1wwmA:
undetectable		 3dfrA-1wwmA:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z6r MLC PROTEIN

(Escherichia
coli) 		PF00480
(ROK) 		5 LEU A 205
LEU A 104
ASP A  26
SER A 148
ALA A 388
 None
 1.04A 3dfrA-1z6rA:
undetectable		 3dfrA-1z6rA:
17.93
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 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.64A 3dfrA-1zdrA:
23.9		 3dfrA-1zdrA:
38.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bbv PROTEIN (BLACK
BEETLE VIRUS CAPSID
PROTEIN)

(Black beetle
virus) 		PF01829
(Peptidase_A6) 		5 LEU A 220
LEU A 114
PRO A 134
ALA A 279
THR A 118
 None
 1.03A 3dfrA-2bbvA:
undetectable		 3dfrA-2bbvA:
19.28
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		6 ALA A  15
LEU A  45
ASP A  53
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.61A 3dfrA-2blbA:
21.0		 3dfrA-2blbA:
23.67
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		6 ALA A  15
LEU A  45
ASP A  53
SER A 120
LEU A 128
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
CP7  A1240 (-4.1A)
 0.63A 3dfrA-2blbA:
21.0		 3dfrA-2blbA:
23.67
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		6 ALA A  15
LEU A  45
ASP A  53
SER A 120
PRO A 122
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
None
CP7  A1240 (-4.1A)
 0.67A 3dfrA-2blbA:
21.0		 3dfrA-2blbA:
23.67
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.
2d1q LUCIFERIN
4-MONOOXYGENASE

(Luciola
cruciata) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ALA A  25
LEU A 255
LEU A 196
LEU A  82
ALA A  96
 None
 1.11A 3dfrA-2d1qA:
undetectable		 3dfrA-2d1qA:
16.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  28
ASP A  48
SER A  83
LEU A  91
ARG A  94
THR A 178
 NAP  A 523 (-3.7A)
None
NAP  A 523 ( 4.4A)
None
None
None
 0.65A 3dfrA-2h2qA:
19.5		 3dfrA-2h2qA:
18.24
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  28
ASP A  48
SER A  83
PRO A  85
THR A 178
 NAP  A 523 (-3.7A)
None
NAP  A 523 ( 4.4A)
None
None
 0.69A 3dfrA-2h2qA:
19.5		 3dfrA-2h2qA:
18.24
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.
2hpi DNA POLYMERASE III
ALPHA SUBUNIT

(Thermus
aquaticus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 LEU A  99
ALA A 141
LEU A 132
LEU A  50
ALA A 100
 None
 1.02A 3dfrA-2hpiA:
undetectable		 3dfrA-2hpiA:
9.72
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.
2kyz HEAVY METAL BINDING
PROTEIN

(Thermotoga
maritima) 		PF00403
(HMA) 		5 LEU A  26
LEU A   5
LEU A  51
ALA A  22
THR A  44
 None
 1.11A 3dfrA-2kyzA:
undetectable		 3dfrA-2kyzA:
16.56
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.
2odo ALANINE RACEMASE

(Pseudomonas
fluorescens) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 LEU A  66
ALA A  73
LEU A  29
LEU A  78
ALA A  63
 None
None
None
LLP  A  33 ( 4.1A)
None
 1.13A 3dfrA-2odoA:
undetectable		 3dfrA-2odoA:
19.48
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
LEU A  25
ASP A  32
LEU A  33
LEU A  67
ARG A  70
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
MTX  A 605 ( 4.2A)
 0.51A 3dfrA-2oipA:
21.2		 3dfrA-2oipA:
13.58
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
LEU A  25
ASP A  32
LEU A  33
SER A  61
LEU A  67
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 4.2A)
 0.55A 3dfrA-2oipA:
21.2		 3dfrA-2oipA:
13.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		6 ALA A   8
LEU A  21
LEU A  29
LEU A  55
ARG A  58
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.4A)
 0.75A 3dfrA-2qk8A:
25.0		 3dfrA-2qk8A:
38.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 ALA A  11
ASP A  31
LEU A  32
LEU A  61
ARG A  64
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
VG9  A1168 ( 4.7A)
 0.73A 3dfrA-2w3wA:
22.9		 3dfrA-2w3wA:
35.59
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
ASP A  31
LEU A  32
SER A  53
PRO A  55
LEU A  61
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.7A)
 0.79A 3dfrA-2w3wA:
22.9		 3dfrA-2w3wA:
35.59
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 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
TOP  A1160 ( 4.5A)
 0.53A 3dfrA-2w9sA:
23.9		 3dfrA-2w9sA:
35.71
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 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
LEU A  54
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
None
TOP  A1160 ( 4.5A)
 0.83A 3dfrA-2w9sA:
23.9		 3dfrA-2w9sA:
35.71
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.
2woc ADP-RIBOSYL-[DINITRO
GEN REDUCTASE]
GLYCOHYDROLASE

(Rhodospirillum
rubrum) 		PF03747
(ADP_ribosyl_GH) 		5 LEU A  72
LEU A 133
LEU A  66
ALA A  73
THR A 139
 None
 1.04A 3dfrA-2wocA:
undetectable		 3dfrA-2wocA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wzf GLUCOSYLTRANSFERASE

(Legionella
pneumophila) 		PF16849
(Glyco_transf_88) 		5 ALA A  53
LEU A  74
HIS A  83
LEU A  12
ALA A  19
 None
 1.13A 3dfrA-2wzfA:
undetectable		 3dfrA-2wzfA:
15.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b89 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		5 LEU A  91
LEU A 171
LEU A 119
PRO A 104
THR A  84
 None
 1.10A 3dfrA-3b89A:
2.1		 3dfrA-3b89A:
20.49
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.
3cv2 MALATE SYNTHASE A

(Escherichia
coli) 		PF01274
(Malate_synthase) 		5 ALA A 425
LEU A 524
LEU A 510
ARG A 503
ALA A 431
 None
 1.09A 3dfrA-3cv2A:
undetectable		 3dfrA-3cv2A:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		6 ALA A  16
LEU A  46
ASP A  54
LEU A 119
ARG A 122
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.4A)
None
RJ6  A 609 ( 4.5A)
 0.68A 3dfrA-3dg8A:
20.7		 3dfrA-3dg8A:
22.74
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		6 ALA A  16
LEU A  46
ASP A  54
SER A 111
LEU A 119
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-3.0A)
RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.4A)
RJ6  A 609 ( 4.5A)
 0.65A 3dfrA-3dg8A:
20.7		 3dfrA-3dg8A:
22.74
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		6 ALA A  16
LEU A  46
ASP A  54
SER A 111
PRO A 113
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-3.0A)
RJ6  A 609 ( 3.8A)
None
RJ6  A 609 ( 4.5A)
 0.57A 3dfrA-3dg8A:
20.7		 3dfrA-3dg8A:
22.74
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.
3g69 SORTASE C

(Streptococcus
pneumoniae) 		PF04203
(Sortase) 		5 ALA A 143
LEU A 139
LEU A 189
ARG A 237
ALA A 216
 None
 1.10A 3dfrA-3g69A:
undetectable		 3dfrA-3g69A:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hj4 MINOR
EDITOSOME-ASSOCIATED
TUTASE

(Trypanosoma
brucei) 		no annotation 5 LEU A 162
LEU A  20
SER A  64
PRO A  62
ALA A 165
 None
 1.13A 3dfrA-3hj4A:
undetectable		 3dfrA-3hj4A:
17.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		8 LEU X   5
ALA X   7
LEU X  20
ASP X  27
LEU X  28
LEU X  54
ARG X  57
THR X 111
 N22  X 219 (-4.0A)
N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
None
None
N22  X 219 (-4.4A)
 0.56A 3dfrA-3i8aX:
23.9		 3dfrA-3i8aX:
35.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 LEU X   5
ALA X   7
LEU X  20
ASP X  27
SER X  49
THR X 111
 N22  X 219 (-4.0A)
N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-2.8A)
N22  X 219 (-3.3A)
N22  X 219 (-4.4A)
 0.68A 3dfrA-3i8aX:
23.9		 3dfrA-3i8aX:
35.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		6 ALA A   8
LEU A  29
SER A  50
LEU A  55
ARG A  58
THR A 115
 MTX  A 164 ( 3.7A)
MTX  A 164 (-4.0A)
NDP  A 163 ( 3.8A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.3A)
 0.77A 3dfrA-3ia4A:
24.1		 3dfrA-3ia4A:
37.65
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 ALA A  10
LEU A  23
LEU A  31
LEU A  58
ARG A  61
THR A 119
 MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
MTX  A 200 ( 4.5A)
 0.36A 3dfrA-3ix9A:
25.6		 3dfrA-3ix9A:
32.32
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
ASP A  37
LEU A  80
ARG A  83
THR A 144
 NAP  A 512 (-3.7A)
None
None
None
None
 0.39A 3dfrA-3kjrA:
21.2		 3dfrA-3kjrA:
15.98
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.
3lu2 LMO2462 PROTEIN

(Listeria
monocytogenes) 		PF01244
(Peptidase_M19) 		5 LEU A 130
LEU A 121
LEU A 160
HIS A 159
THR A 168
 None
 0.96A 3dfrA-3lu2A:
undetectable		 3dfrA-3lu2A:
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.
3nk4 ZONA PELLUCIDA 3

(Gallus gallus) 		PF00100
(Zona_pellucida) 		5 LEU A 127
ALA A  89
SER A 239
PRO A 241
THR A  84
 None
 1.11A 3dfrA-3nk4A:
undetectable		 3dfrA-3nk4A:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pyz BIFUNCTIONAL
FOLYLPOLYGLUTAMATE
SYNTHASE/DIHYDROFOLA
TE SYNTHASE

(Yersinia pestis) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A 129
ALA A 131
LEU A 145
LEU A  32
ALA A  39
 None
 1.14A 3dfrA-3pyzA:
undetectable		 3dfrA-3pyzA:
16.78
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.
3q34 YCEI-LIKE FAMILY
PROTEIN

(Pseudomonas
savastanoi) 		PF04264
(YceI) 		5 LEU A 124
LEU A 120
LEU A 153
LEU A  32
ALA A  94
 UQ8  A   1 ( 4.7A)
UQ8  A   1 (-4.4A)
None
UQ8  A   1 (-4.3A)
UQ8  A   1 ( 4.4A)
 1.14A 3dfrA-3q34A:
undetectable		 3dfrA-3q34A:
23.30
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.
3qsj NUDIX HYDROLASE

(Alicyclobacillus
acidocaldarius) 		PF00293
(NUDIX) 		5 LEU A  10
ALA A  81
LEU A 117
LEU A 130
ALA A  76
 None
 0.99A 3dfrA-3qsjA:
undetectable		 3dfrA-3qsjA:
18.52
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
ASP A  54
SER A  89
LEU A  97
ARG A 100
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 ( 4.2A)
None
None
WRA  A 602 (-4.2A)
 0.69A 3dfrA-3rg9A:
19.6		 3dfrA-3rg9A:
27.20
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 ALA A  34
ASP A  54
SER A  89
PRO A  91
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 ( 4.2A)
WRA  A 602 (-4.3A)
WRA  A 602 (-4.2A)
 0.49A 3dfrA-3rg9A:
19.6		 3dfrA-3rg9A:
27.20
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.
3ssz MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Rhodobacteraceae
bacterium KLH11) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 161
ALA A 322
SER A 358
LEU A 390
ALA A 351
 None
 1.13A 3dfrA-3sszA:
undetectable		 3dfrA-3sszA:
17.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3stp GALACTONATE
DEHYDRATASE,
PUTATIVE

(Labrenzia
aggregata) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 138
ALA A 299
SER A 335
LEU A 367
ALA A 328
 None
 1.14A 3dfrA-3stpA:
undetectable		 3dfrA-3stpA:
15.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		8 ALA A   8
LEU A  21
ASP A  28
LEU A  29
SER A  50
LEU A  55
ARG A  58
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
NDP  A1001 ( 3.0A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
MTX  A2001 (-4.3A)
 0.74A 3dfrA-3tq9A:
24.6		 3dfrA-3tq9A:
32.42
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 LEU A  46
ASP A  54
SER A 111
LEU A 119
ARG A 122
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
None
1CY  A 609 (-4.3A)
 0.66A 3dfrA-3um6A:
20.8		 3dfrA-3um6A:
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 LEU A  46
ASP A  54
SER A 111
PRO A 113
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 (-4.3A)
 0.63A 3dfrA-3um6A:
20.8		 3dfrA-3um6A:
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		6 ALA A   8
ASP A  28
SER A  56
LEU A  64
ARG A  67
THR A 133
 None
 0.93A 3dfrA-3vcoA:
18.0		 3dfrA-3vcoA:
26.63
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		5 ALA A   8
ASP A  28
SER A  56
PRO A  58
THR A 133
 None
 0.78A 3dfrA-3vcoA:
18.0		 3dfrA-3vcoA:
26.63
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.
4au2 SERPIN PEPTIDASE
INHIBITOR, CLADE H
(HEAT SHOCK PROTEIN
47), MEMBER 1,
(COLLAGEN BINDING
PROTEIN 1)

(Canis lupus) 		PF00079
(Serpin) 		6 LEU A 348
ASP A 316
LEU A 317
HIS A 353
LEU A  78
ALA A 329
 None
 1.48A 3dfrA-4au2A:
undetectable		 3dfrA-4au2A:
17.43
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.
4fff LEVAN
FRUCTOTRANSFERASE

(Paenarthrobacter
ureafaciens) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 LEU A  67
HIS A  83
SER A 342
LEU A  52
ALA A 299
 None
 1.11A 3dfrA-4fffA:
undetectable		 3dfrA-4fffA:
16.15
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		6 ALA X  12
LEU X  25
SER X  64
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
None
None
TOP  X 301 (-4.5A)
 0.92A 3dfrA-4g8zX:
20.2		 3dfrA-4g8zX:
28.44
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		5 ALA X  12
LEU X  25
SER X  64
PRO X  66
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
TOP  X 301 (-4.8A)
TOP  X 301 (-4.5A)
 0.84A 3dfrA-4g8zX:
20.2		 3dfrA-4g8zX:
28.44
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		5 ALA A  11
LEU A  25
LEU A  69
ARG A  72
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
None
None
14Q  A 302 (-4.2A)
 0.60A 3dfrA-4h98A:
19.1		 3dfrA-4h98A:
27.91
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		5 ALA A  11
LEU A  25
PRO A  63
ARG A  72
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-4.4A)
None
14Q  A 302 (-4.2A)
 0.77A 3dfrA-4h98A:
19.1		 3dfrA-4h98A:
27.91
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		5 ALA A  11
LEU A  25
SER A  61
LEU A  69
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-2.6A)
None
14Q  A 302 (-4.2A)
 0.65A 3dfrA-4h98A:
19.1		 3dfrA-4h98A:
27.91
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		5 ALA A  11
LEU A  25
SER A  61
PRO A  63
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.4A)
14Q  A 302 (-4.2A)
 0.56A 3dfrA-4h98A:
19.1		 3dfrA-4h98A:
27.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		6 ALA A   7
ASP A  27
SER A  49
LEU A  57
ARG A  60
THR A 113
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
NDP  A 201 (-3.6A)
None
None
TMQ  A 202 (-4.2A)
 0.70A 3dfrA-4m2xA:
21.9		 3dfrA-4m2xA:
34.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		6 ALA A   7
ASP A  27
SER A  49
PRO A  51
ARG A  60
THR A 113
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
NDP  A 201 (-3.6A)
TMQ  A 202 (-4.2A)
None
TMQ  A 202 (-4.2A)
 0.79A 3dfrA-4m2xA:
21.9		 3dfrA-4m2xA:
34.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		7 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LEU A  55
ARG A  58
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.48A 3dfrA-4m7vA:
24.3		 3dfrA-4m7vA:
37.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ntc GLIT

(Aspergillus
fumigatus) 		PF07992
(Pyr_redox_2) 		5 LEU A 176
ALA A 180
LEU A 249
LEU A 164
ALA A 173
 None
 1.01A 3dfrA-4ntcA:
undetectable		 3dfrA-4ntcA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
SER A  49
ARG A  57
THR A 113
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 3.7A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 4.5A)
 0.48A 3dfrA-4p68A:
23.7		 3dfrA-4p68A:
28.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r6g LEUCINE RICH REPEATS
DLRR_K

(synthetic
construct) 		PF12799
(LRR_4)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A 360
ALA A 353
LEU A 343
LEU A 338
ALA A 359
 None
 1.09A 3dfrA-4r6gA:
undetectable		 3dfrA-4r6gA:
14.93
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.
4tmu RECQ

(Cronobacter
sakazakii) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF09382
(RQC)
PF16124
(RecQ_Zn_bind) 		5 LEU A 420
ALA A 497
LEU A 479
HIS A 478
THR A 495
 None
 1.11A 3dfrA-4tmuA:
undetectable		 3dfrA-4tmuA:
14.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wm0 XYLOSIDE
XYLOSYLTRANSFERASE 1

(Mus musculus) 		PF01501
(Glyco_transf_8) 		5 LEU A 226
LEU A 125
LEU A 138
HIS A 139
ALA A 117
 None
 1.07A 3dfrA-4wm0A:
undetectable		 3dfrA-4wm0A:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z7r COENZYME PQQ
SYNTHESIS PROTEIN B

(Methylobacterium
extorquens) 		PF12706
(Lactamase_B_2) 		5 ALA A  56
LEU A 100
SER A  79
PRO A  72
ALA A  43
 None
 1.05A 3dfrA-4z7rA:
undetectable		 3dfrA-4z7rA:
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.
4zfl AMIDOHYDROLASE EGTC

(Mycolicibacterium
smegmatis) 		PF13522
(GATase_6) 		5 LEU A 110
ALA A  85
LEU A  17
PRO A  11
ALA A 170
 None
 1.00A 3dfrA-4zflA:
undetectable		 3dfrA-4zflA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5et1 ESPIN

(Mus musculus) 		PF12796
(Ank_2)
PF13637
(Ank_4)
PF13857
(Ank_5) 		5 LEU A 110
ALA A  74
LEU A  90
ALA A 111
THR A  72
 None
 1.03A 3dfrA-5et1A:
undetectable		 3dfrA-5et1A:
18.26
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.
5f4z EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		5 LEU A 367
ASP A 280
LEU A 284
SER A 102
ALA A  59
 None
None
None
None
GOL  A 404 (-3.7A)
 1.07A 3dfrA-5f4zA:
undetectable		 3dfrA-5f4zA:
17.15
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.
5gs2 ANTI-MBP

(Homo sapiens) 		PF07686
(V-set) 		6 LEU H 236
ASP H 149
PRO H 191
LEU H 179
ALA H 216
THR H 145
 None
 1.34A 3dfrA-5gs2H:
undetectable		 3dfrA-5gs2H:
21.31
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT BETA
T-COMPLEX PROTEIN 1
SUBUNIT DELTA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 LEU b  46
LEU b  64
LEU b  69
ALA d 525
THR b  57
 None
 1.02A 3dfrA-5gw5b:
undetectable		 3dfrA-5gw5b:
14.86
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.
5hgr ORANGE CAROTENOID
PROTEIN (OCP)

(Nostoc sp. PCC
7120) 		PF02136
(NTF2)
PF09150
(Carot_N) 		5 ALA A  38
LEU A 131
LEU A  31
LEU A  24
ALA A  43
 None
 1.03A 3dfrA-5hgrA:
undetectable		 3dfrA-5hgrA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		6 LEU A 164
LEU A 184
LEU A  93
HIS A  94
SER A 179
ALA A 163
 None
None
None
ZN  A 301 ( 3.3A)
None
None
 1.42A 3dfrA-5jn9A:
undetectable		 3dfrA-5jn9A:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jxm PRIB

(Streptomyces
sp. RM-5-8) 		PF11991
(Trp_DMAT) 		5 LEU A 203
ALA A 208
LEU A 212
PRO A 219
ALA A 199
 None
 1.08A 3dfrA-5jxmA:
undetectable		 3dfrA-5jxmA:
20.49
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.
5l3x NEGATIVE ELONGATION
FACTOR A
NEGATIVE ELONGATION
FACTOR C/D

(Homo sapiens) 		PF04858
(TH1)
no annotation 		5 LEU B 283
ALA B 276
HIS B 236
LEU A  97
ALA B 282
 None
 1.14A 3dfrA-5l3xB:
undetectable		 3dfrA-5l3xB:
17.78
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.
5mpt CITRININ POLYKETIDE
SYNTHASE

(Monascus
purpureus) 		PF08242
(Methyltransf_12) 		5 LEU A2091
ALA A2158
LEU A2083
PRO A2049
ALA A2062
 None
 1.11A 3dfrA-5mptA:
undetectable		 3dfrA-5mptA:
17.78
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
LEU A  23
ASP A  31
LEU A  94
ARG A  97
THR A 172
 73X  A 704 (-4.0A)
None
73X  A 704 (-2.8A)
None
None
73X  A 704 (-4.2A)
 0.63A 3dfrA-5t0lA:
21.2		 3dfrA-5t0lA:
14.49
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
LEU A  23
ASP A  31
SER A  86
LEU A  94
THR A 172
 73X  A 704 (-4.0A)
None
73X  A 704 (-2.8A)
NDP  A 702 (-3.8A)
None
73X  A 704 (-4.2A)
 0.66A 3dfrA-5t0lA:
21.2		 3dfrA-5t0lA:
14.49
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
LEU A  23
ASP A  31
SER A  86
PRO A  88
THR A 172
 73X  A 704 (-4.0A)
None
73X  A 704 (-2.8A)
NDP  A 702 (-3.8A)
73X  A 704 (-4.0A)
73X  A 704 (-4.2A)
 0.51A 3dfrA-5t0lA:
21.2		 3dfrA-5t0lA:
14.49
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.
5xyi 40S RIBOSOMAL
PROTEIN SA

(Trichomonas
vaginalis) 		PF00318
(Ribosomal_S2) 		5 LEU A  92
ASP A  71
LEU A  73
LEU A 145
ALA A  59
 None
 1.08A 3dfrA-5xyiA:
undetectable		 3dfrA-5xyiA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6apx MALTOSE-BINDING
PERIPLASMIC
PROTEIN,DUAL
SPECIFICITY PROTEIN
PHOSPHATASE 1

(Escherichia
coli;
Homo sapiens) 		no annotation 5 LEU A 262
ALA A 264
LEU A 284
LEU A  20
ALA A 109
 None
 1.12A 3dfrA-6apxA:
undetectable		 3dfrA-6apxA:
14.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ALA A   8
ASP A  28
LEU A  29
PRO A  52
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 1.23A 3dfrA-6cxmA:
21.5		 3dfrA-6cxmA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ALA A   8
ASP A  28
SER A  50
PRO A  52
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.78A 3dfrA-6cxmA:
21.5		 3dfrA-6cxmA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6e4e -

(-) 		no annotation 5 ALA A   7
LEU A  20
ASP A  27
SER A  49
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
NAP  A 201 (-4.2A)
MMV  A 202 (-4.3A)
 0.68A 3dfrA-6e4eA:
23.9		 3dfrA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6e4e -

(-) 		no annotation 8 LEU A   5
ALA A   7
LEU A  20
ASP A  27
LEU A  28
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 (-4.2A)
MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
None
None
MMV  A 202 (-4.3A)
 0.45A 3dfrA-6e4eA:
23.9		 3dfrA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6elc VARIANT SURFACE
GLYCOPROTEIN

(Trypanosoma
brucei) 		no annotation 5 LEU A 290
ALA A 350
LEU A 281
LEU A 179
ALA A 289
 None
 1.05A 3dfrA-6elcA:
undetectable		 3dfrA-6elcA:
18.52