SIMILAR PATTERNS OF AMINO ACIDS FOR 4Q0D_D_MTXD604_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		5 ALA A   8
ASP A  27
LEU A  55
ARG A  58
THR A 121
 None
 0.58A 4q0dD-1cz3A:
19.7		 4q0dD-1cz3A:
16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dkr PHOSPHORIBOSYL
PYROPHOSPHATE
SYNTHETASE

(Bacillus
subtilis) 		PF13793
(Pribosyltran_N)
PF14572
(Pribosyl_synth) 		5 ALA A 229
LEU A 256
LEU A 272
LEU A 156
THR A 233
 SO4  A1002 (-4.7A)
None
None
None
None
 1.19A 4q0dD-1dkrA:
undetectable		 4q0dD-1dkrA:
20.04
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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		6 ALA A   9
LEU A  22
LEU A  67
ARG A  70
TYR A 121
THR A 136
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
None
None
None
HBI  A 198 ( 4.5A)
 0.50A 4q0dD-1dr6A:
23.5		 4q0dD-1dr6A:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		6 ALA A   9
LEU A  22
LYS A  32
SER A  59
TYR A 121
THR A 136
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
None
NAP  A 191 ( 4.1A)
None
HBI  A 198 ( 4.5A)
 0.86A 4q0dD-1dr6A:
23.5		 4q0dD-1dr6A:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gs9 APOLIPOPROTEIN E

(Homo sapiens) 		PF01442
(Apolipoprotein) 		5 LEU A  51
LEU A 137
SER A 139
SER A  44
ARG A 142
 None
 1.21A 4q0dD-1gs9A:
undetectable		 4q0dD-1gs9A:
13.44
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.
1in8 HOLLIDAY JUNCTION
DNA HELICASE RUVB

(Thermotoga
maritima) 		PF05491
(RuvB_C)
PF05496
(RuvB_N) 		5 ALA A 320
LEU A 257
LEU A 301
LEU A 286
THR A 317
 None
 1.28A 4q0dD-1in8A:
undetectable		 4q0dD-1in8A:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ixr RUVB

(Thermus
thermophilus) 		PF05491
(RuvB_C)
PF05496
(RuvB_N) 		5 ALA C 308
LEU C 245
LEU C 289
LEU C 274
THR C 305
 None
 1.28A 4q0dD-1ixrC:
2.1		 4q0dD-1ixrC:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j1u TYROSYL-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00579
(tRNA-synt_1b) 		5 LEU A  55
LEU A  20
SER A  16
ARG A 181
THR A  11
 None
 1.02A 4q0dD-1j1uA:
undetectable		 4q0dD-1j1uA:
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 LEU A  28
ASP A  36
LEU A  37
LEU A  63
ARG A  66
 None
 0.92A 4q0dD-1juvA:
16.3		 4q0dD-1juvA:
16.63
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.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		5 ALA A   9
LYS A  32
SER A  59
TYR A 121
THR A 136
 NDP  A 188 (-3.6A)
None
NDP  A 188 ( 3.8A)
None
MTX  A 187 (-4.4A)
 0.82A 4q0dD-1u70A:
22.9		 4q0dD-1u70A:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		6 ALA A   9
SER A  59
LEU A  67
ARG A  70
TYR A 121
THR A 136
 NDP  A 188 (-3.6A)
NDP  A 188 ( 3.8A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
MTX  A 187 (-4.4A)
 0.49A 4q0dD-1u70A:
22.9		 4q0dD-1u70A:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		5 ALA A   9
LEU A  67
ARG A  70
TYR A 121
THR A 136
 MXA  A 187 (-3.6A)
None
None
None
MXA  A 187 (-4.3A)
 0.50A 4q0dD-1u71A:
23.4		 4q0dD-1u71A:
18.01
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.
1w8a SLIT PROTEIN

(Drosophila
melanogaster) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF01463
(LRRCT)
PF13855
(LRR_8) 		5 ALA A 618
LEU A 597
LEU A 590
SER A 586
LEU A 582
 None
 1.28A 4q0dD-1w8aA:
undetectable		 4q0dD-1w8aA:
16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zbr CONSERVED
HYPOTHETICAL PROTEIN

(Porphyromonas
gingivalis) 		PF04371
(PAD_porph) 		5 ALA A  85
LEU A 141
ARG A 123
TYR A 335
THR A  19
 None
 1.13A 4q0dD-1zbrA:
undetectable		 4q0dD-1zbrA:
20.82
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.
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
 0.48A 4q0dD-1zdrA:
21.1		 4q0dD-1zdrA:
16.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ALA A  15
ASP A  53
LYS A  55
SER A  58
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
MES  A1241 (-3.1A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 1.22A 4q0dD-2blbA:
22.8		 4q0dD-2blbA:
16.51
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) 		6 ALA A  15
ASP A  53
LYS A  55
SER A  59
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
None
None
CP7  A1240 (-4.1A)
 1.37A 4q0dD-2blbA:
22.8		 4q0dD-2blbA:
16.51
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 ALA A  15
LEU A  45
ASP A  53
SER A  58
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.40A 4q0dD-2blbA:
22.8		 4q0dD-2blbA:
16.51
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) 		6 ALA A  15
LEU A  45
ASP A  53
SER A  58
SER A 117
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
NDP  A1239 (-2.9A)
CP7  A1240 (-4.1A)
 1.32A 4q0dD-2blbA:
22.8		 4q0dD-2blbA:
16.51
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) 		7 ALA A  15
LEU A  45
ASP A  53
SER A  58
SER A 120
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
NDP  A1239 (-3.6A)
None
CP7  A1240 (-4.1A)
 0.54A 4q0dD-2blbA:
22.8		 4q0dD-2blbA:
16.51
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.
2c1w ENDOU PROTEIN

(Xenopus laevis) 		PF09412
(XendoU) 		5 ALA A 240
LEU A 122
LEU A  15
LYS A  14
SER A  13
 None
 1.17A 4q0dD-2c1wA:
undetectable		 4q0dD-2c1wA:
20.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  28
ASP A  48
LEU A  91
ARG A  94
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
None
 0.50A 4q0dD-2h2qA:
38.9		 4q0dD-2h2qA:
42.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
NAP  A 523 ( 4.4A)
None
None
 0.67A 4q0dD-2h2qA:
38.9		 4q0dD-2h2qA:
42.68
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.
2h8h PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		5 ALA A 371
LEU A 516
LEU A 452
LEU A 350
CYH A 400
 None
 1.27A 4q0dD-2h8hA:
undetectable		 4q0dD-2h8hA:
21.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		10 ALA A  11
ASP A  32
LYS A  34
SER A  37
SER A  61
LEU A  67
ARG A  70
CYH A 113
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
None
MTX  A 605 ( 2.9A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
None
MTX  A 605 ( 4.2A)
 0.81A 4q0dD-2oipA:
52.2		 4q0dD-2oipA:
99.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		11 ALA A  11
LEU A  25
ASP A  32
LEU A  33
SER A  37
SER A  61
LEU A  67
ARG A  70
CYH A 113
TYR A 119
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 ( 2.9A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
None
MTX  A 605 ( 4.2A)
 0.47A 4q0dD-2oipA:
52.2		 4q0dD-2oipA:
99.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qfl INOSITOL-1-MONOPHOSP
HATASE

(Escherichia
coli) 		PF00459
(Inositol_P) 		5 LEU A 208
ASP A 191
LEU A 192
TYR A 168
THR A 185
 None
 1.27A 4q0dD-2qflA:
undetectable		 4q0dD-2qflA:
18.39
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.
2qgo PUTATIVE FE-S
BIOSYNTHESIS PROTEIN

(Lactobacillus
acidophilus) 		PF01521
(Fe-S_biosyn) 		5 ALA A  12
LEU A  97
SER A 101
LEU A  84
THR A   9
 None
 1.26A 4q0dD-2qgoA:
undetectable		 4q0dD-2qgoA:
13.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		7 ALA A   8
LEU A  21
LEU A  29
LEU A  55
ARG A  58
TYR A 102
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)
None
MTX  A 200 ( 4.4A)
 0.73A 4q0dD-2qk8A:
21.3		 4q0dD-2qk8A:
16.91
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.
2rdy BH0842 PROTEIN

(Bacillus
halodurans) 		PF14498
(Glyco_hyd_65N_2) 		5 LEU A 303
LEU A 694
SER A 711
CYH A 644
THR A 687
 None
 1.20A 4q0dD-2rdyA:
undetectable		 4q0dD-2rdyA:
21.98
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.
2v33 E1 ENVELOPE
GLYCOPROTEIN

(Semliki Forest
virus) 		PF01589
(Alpha_E1_glycop) 		5 ALA A 337
LEU A 339
LEU A 316
SER A 368
THR A 358
 None
None
None
NO3  A1383 (-2.7A)
None
 0.95A 4q0dD-2v33A:
undetectable		 4q0dD-2v33A:
11.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v5o CATION-INDEPENDENT
MANNOSE-6-PHOSPHATE
RECEPTOR

(Homo sapiens) 		PF00040
(fn2)
PF00878
(CIMR) 		5 ALA A2123
LEU A2094
LEU A2028
SER A2010
SER A2118
 None
 1.17A 4q0dD-2v5oA:
undetectable		 4q0dD-2v5oA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		5 ALA A  11
ASP A  31
LEU A  32
LEU A  54
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
None
VG9  A1168 ( 4.7A)
 1.28A 4q0dD-2w3wA:
21.8		 4q0dD-2w3wA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		7 ALA A  11
ASP A  31
LEU A  32
LEU A  61
ARG A  64
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
None
VG9  A1168 ( 4.7A)
 0.71A 4q0dD-2w3wA:
21.8		 4q0dD-2w3wA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		7 ALA A  11
ASP A  31
LEU A  32
SER A  53
ARG A  64
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 3.7A)
None
VG9  A1168 ( 4.7A)
 0.77A 4q0dD-2w3wA:
21.8		 4q0dD-2w3wA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		9 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
None
None
None
TOP  A1160 ( 4.5A)
 0.75A 4q0dD-2w9sA:
21.9		 4q0dD-2w9sA:
17.44
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.
2wzr POLYPROTEIN

(Foot-and-mouth
disease virus) 		PF00073
(Rhv) 		5 LEU 2 140
LEU 2 132
LYS 2 131
TYR 2  36
THR 2 178
 None
 1.15A 4q0dD-2wzr2:
undetectable		 4q0dD-2wzr2:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zv7 TYROSINE-PROTEIN
KINASE LYN

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		5 ALA A 352
LEU A 497
LEU A 433
LEU A 331
CYH A 381
 None
 1.18A 4q0dD-2zv7A:
undetectable		 4q0dD-2zv7A:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b40 PROBABLE DIPEPTIDASE

(Pseudomonas
aeruginosa) 		PF01244
(Peptidase_M19) 		5 ALA A 263
LEU A 250
SER A 246
SER A 257
LEU A 222
 None
 1.12A 4q0dD-3b40A:
undetectable		 4q0dD-3b40A:
20.77
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		7 ALA A   6
LEU A  19
ASP A  26
LEU A  27
LEU A  54
ARG A  57
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.52A 4q0dD-3dfrA:
21.6		 4q0dD-3dfrA:
13.90
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 ALA A   6
LEU A  19
ASP A  26
LEU A  27
SER A  48
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.3A)
 0.65A 4q0dD-3dfrA:
21.6		 4q0dD-3dfrA:
13.90
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ALA A  16
LEU A  46
ASP A  54
LEU A 119
ARG A 122
TYR A 170
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.44A 4q0dD-3dg8A:
23.4		 4q0dD-3dg8A:
19.32
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.
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
TYR A 170
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-3.0A)
RJ6  A 609 ( 3.8A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.57A 4q0dD-3dg8A:
23.4		 4q0dD-3dg8A:
19.32
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.
3hvn HEMOLYSIN

(Streptococcus
suis) 		PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C) 		5 LEU A 102
LEU A 241
LYS A 240
SER A 237
THR A 247
 None
 1.11A 4q0dD-3hvnA:
undetectable		 4q0dD-3hvnA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
ASP X  27
LYS X  29
LEU X  54
ARG X  57
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
None
None
None
None
N22  X 219 (-4.4A)
 1.16A 4q0dD-3i8aX:
22.0		 4q0dD-3i8aX:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
ASP X  27
SER X  49
LEU X  54
ARG X  57
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
N22  X 219 (-3.3A)
None
None
None
N22  X 219 (-4.4A)
 0.82A 4q0dD-3i8aX:
22.0		 4q0dD-3i8aX:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		8 ALA X   7
LEU X  20
ASP X  27
LEU X  28
SER X  49
ARG X  57
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
N22  X 219 (-3.3A)
None
None
N22  X 219 (-4.4A)
 0.72A 4q0dD-3i8aX:
22.0		 4q0dD-3i8aX:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
LEU X  20
LYS X  32
SER X  49
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
None
N22  X 219 (-3.3A)
None
N22  X 219 (-4.4A)
 1.16A 4q0dD-3i8aX:
22.0		 4q0dD-3i8aX:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		7 ALA A   8
LEU A  29
SER A  50
LEU A  55
ARG A  58
TYR A 102
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)
None
MTX  A 164 (-4.3A)
 0.63A 4q0dD-3ia4A:
21.7		 4q0dD-3ia4A:
15.22
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.
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)
 0.63A 4q0dD-3ix9A:
22.2		 4q0dD-3ix9A:
16.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ASP A  37
LEU A  80
ARG A  83
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
None
None
None
None
 0.34A 4q0dD-3kjrA:
45.2		 4q0dD-3kjrA:
46.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ASP A  37
SER A  72
ARG A  83
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
NAP  A 512 ( 4.2A)
None
None
None
 0.61A 4q0dD-3kjrA:
45.2		 4q0dD-3kjrA:
46.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nva CTP SYNTHASE

(Sulfolobus
solfataricus) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 LEU A  21
LEU A 258
LYS A 261
SER A 260
ARG A  32
 None
 1.23A 4q0dD-3nvaA:
3.8		 4q0dD-3nvaA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oxp PHOSPHOTRANSFERASE
ENZYME II, A
COMPONENT

(Yersinia pestis) 		PF00359
(PTS_EIIA_2) 		5 ALA A  36
LEU A   5
SER A 110
LEU A 118
TYR A  41
 None
 1.24A 4q0dD-3oxpA:
undetectable		 4q0dD-3oxpA:
15.04
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.
3qbd 3-DEHYDROQUINATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF01761
(DHQ_synthase) 		5 ALA A 170
ASP A 168
LEU A  26
ARG A  58
THR A 171
 None
None
None
None
NAD  A 400 (-4.9A)
 1.16A 4q0dD-3qbdA:
2.3		 4q0dD-3qbdA:
21.43
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 ALA A  34
ASP A  54
LEU A  90
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 (-4.8A)
None
WRA  A 602 (-4.2A)
 1.20A 4q0dD-3rg9A:
22.4		 4q0dD-3rg9A:
18.90
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
ASP A  54
LEU A  97
ARG A 100
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
None
None
None
WRA  A 602 (-4.2A)
 0.60A 4q0dD-3rg9A:
22.4		 4q0dD-3rg9A:
18.90
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 ALA A  34
ASP A  54
SER A  89
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 ( 4.2A)
None
WRA  A 602 (-4.2A)
 0.73A 4q0dD-3rg9A:
22.4		 4q0dD-3rg9A:
18.90
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.
3rht (GATASE1)-LIKE
PROTEIN

(Planctopirus
limnophila) 		PF07090
(GATase1_like) 		5 ALA A 202
LEU A 248
LEU A  82
SER A 206
LEU A 216
 None
 1.20A 4q0dD-3rhtA:
undetectable		 4q0dD-3rhtA:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4q0dD-3tq9A:
22.2		 4q0dD-3tq9A:
19.32
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.
3uit INAD-LIKE PROTEIN,
MAGUK P55 SUBFAMILY
MEMBER 5, PROTEIN
LIN-7 HOMOLOG B

(Homo sapiens;
Mus musculus;
Rattus
norvegicus) 		PF02828
(L27)
PF09045
(L27_2)
PF09060
(L27_N) 		5 ALA A 216
LEU A 241
LEU A 179
SER A 247
LEU A 197
 None
None
None
ACT  A 272 ( 4.3A)
None
 1.18A 4q0dD-3uitA:
undetectable		 4q0dD-3uitA:
19.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 LEU A  46
ASP A  54
LEU A 119
ARG A 122
TYR A 170
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
None
None
None
1CY  A 609 (-4.3A)
 0.45A 4q0dD-3um6A:
41.0		 4q0dD-3um6A:
40.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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
TYR A 170
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 (-4.3A)
 0.73A 4q0dD-3um6A:
41.0		 4q0dD-3um6A:
40.26
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		6 ALA A   8
ASP A  28
LEU A  64
ARG A  67
TYR A 117
THR A 133
 None
 0.46A 4q0dD-3vcoA:
20.1		 4q0dD-3vcoA:
16.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3win HA3

(Clostridium
botulinum) 		PF03505
(Clenterotox) 		5 LEU E 598
LYS E 594
SER E 592
LEU E 589
THR E 625
 None
 1.25A 4q0dD-3winE:
undetectable		 4q0dD-3winE:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4az7 BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		5 ALA A 281
LEU A 277
LEU A 221
SER A 191
SER A 200
 None
 1.13A 4q0dD-4az7A:
undetectable		 4q0dD-4az7A:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bwe GLYPICAN-1

(Homo sapiens) 		PF01153
(Glypican) 		5 LEU A 209
LEU A 144
SER A 146
SER A 316
ARG A 149
 None
None
None
None
NAG  A 501 ( 4.5A)
 0.83A 4q0dD-4bweA:
undetectable		 4q0dD-4bweA:
21.55
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		7 ALA X  12
LEU X  25
SER X  64
LEU X  72
ARG X  75
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.86A 4q0dD-4g8zX:
22.2		 4q0dD-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		5 ALA X  12
SER X  37
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
None
None
TOP  X 301 (-4.5A)
 0.65A 4q0dD-4g8zX:
22.2		 4q0dD-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		5 ALA A  11
LEU A  69
ARG A  72
TYR A 118
THR A 133
 14Q  A 202 ( 3.7A)
None
None
None
14Q  A 202 ( 4.6A)
 0.51A 4q0dD-4h96A:
6.1		 4q0dD-4h96A:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		5 ALA A  11
SER A  61
LEU A  69
TYR A 118
THR A 133
 14Q  A 202 ( 3.7A)
14Q  A 202 (-3.9A)
None
None
14Q  A 202 ( 4.6A)
 0.84A 4q0dD-4h96A:
6.1		 4q0dD-4h96A:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		6 ALA A  11
LEU A  25
LEU A  69
ARG A  72
TYR A 127
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
None
None
None
14Q  A 302 (-4.2A)
 0.60A 4q0dD-4h98A:
23.1		 4q0dD-4h98A:
21.17
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		6 ALA A  11
LEU A  25
SER A  61
ARG A  72
TYR A 127
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-2.6A)
None
None
14Q  A 302 (-4.2A)
 0.67A 4q0dD-4h98A:
23.1		 4q0dD-4h98A:
21.17
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.
4imm OUTER MEMBRANE
ASSEMBLY LIPOPROTEIN
YFGL

(Moraxella
catarrhalis) 		PF13360
(PQQ_2) 		5 ALA A 135
LEU A 133
LYS A 163
SER A 160
SER A 153
 None
None
None
None
NA  A 404 (-3.0A)
 1.29A 4q0dD-4immA:
undetectable		 4q0dD-4immA:
21.56
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.
4k11 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		5 ALA A 371
LEU A 516
LEU A 452
LEU A 350
CYH A 400
 None
 1.26A 4q0dD-4k11A:
undetectable		 4q0dD-4k11A:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lxr PROTEIN TOLL

(Drosophila
melanogaster) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 LEU A 381
LEU A 397
SER A 422
SER A 406
LEU A 445
 None
 1.19A 4q0dD-4lxrA:
undetectable		 4q0dD-4lxrA:
20.43
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
LEU A  50
TYR A 100
THR A 113
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
None
None
TMQ  A 202 (-4.2A)
 1.30A 4q0dD-4m2xA:
21.2		 4q0dD-4m2xA:
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		6 ALA A   7
ASP A  27
LEU A  57
ARG A  60
TYR A 100
THR A 113
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
None
None
None
TMQ  A 202 (-4.2A)
 0.67A 4q0dD-4m2xA:
21.2		 4q0dD-4m2xA:
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
SER A  49
TYR A 100
THR A 113
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
NDP  A 201 (-3.6A)
None
TMQ  A 202 (-4.2A)
 0.67A 4q0dD-4m2xA:
21.2		 4q0dD-4m2xA:
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.
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)
 0.68A 4q0dD-4m7vA:
21.5		 4q0dD-4m7vA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		7 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LYS A  29
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)
 0.73A 4q0dD-4m7vA:
21.5		 4q0dD-4m7vA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n9f TRANSCRIPTION
ELONGATION FACTOR B
POLYPEPTIDE 2

(Homo sapiens) 		no annotation 5 ALA X  67
LEU X   5
LEU X  57
SER X  21
THR X  66
 None
 1.30A 4q0dD-4n9fX:
undetectable		 4q0dD-4n9fX:
10.75
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.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
ARG A  57
TYR A 100
THR A 113
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 (-3.0A)
None
MTX  A 201 ( 4.5A)
 0.38A 4q0dD-4p68A:
21.8		 4q0dD-4p68A:
16.60
Potential target for repurposing, i.e. matched protein structure has less than 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
TYR A 100
THR A 113
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 3.7A)
None
MTX  A 201 ( 4.5A)
 0.62A 4q0dD-4p68A:
21.8		 4q0dD-4p68A:
16.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tzh LIC12234

(Leptospira
interrogans) 		PF13855
(LRR_8) 		5 LEU A 185
LEU A 176
SER A 163
LEU A 126
THR A 195
 None
 1.27A 4q0dD-4tzhA:
undetectable		 4q0dD-4tzhA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v03 SITE-DETERMINING
PROTEIN

(Aquifex
aeolicus) 		PF01656
(CbiA) 		5 ALA A 236
LEU A 119
SER A  82
LEU A  50
THR A 235
 None
 1.06A 4q0dD-4v03A:
3.9		 4q0dD-4v03A:
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.
4yam BETA-ETHERASE

(Sphingobium sp.
SYK-6) 		PF13417
(GST_N_3) 		5 LEU A 166
LEU A 106
SER A 190
LEU A 179
THR A 198
 None
 1.22A 4q0dD-4yamA:
undetectable		 4q0dD-4yamA:
19.39
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.
4zqg 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Moraxella
catarrhalis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 LEU A 110
ASP A 394
LEU A 391
SER A 112
THR A 340
 None
 1.27A 4q0dD-4zqgA:
undetectable		 4q0dD-4zqgA:
20.90
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		5 ALA A   7
LEU A  71
ARG A  74
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
None
None
None
CME  A 140 ( 4.5A)
 0.57A 4q0dD-5dxvA:
3.0		 4q0dD-5dxvA:
13.78
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		5 ALA A   7
SER A  66
ARG A  74
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.68A 4q0dD-5dxvA:
3.0		 4q0dD-5dxvA:
13.78
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.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		5 ALA A   8
LEU A  55
ARG A  58
TYR A 101
THR A 114
 None
 1.16A 4q0dD-5fdaA:
15.2		 4q0dD-5fdaA:
16.80
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.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		5 ALA A   8
SER A  50
ARG A  58
TYR A 101
THR A 114
 None
 1.26A 4q0dD-5fdaA:
15.2		 4q0dD-5fdaA:
16.80
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.
5jq9 DIHYDROPTEROATE
SYNTHASE

(Yersinia pestis) 		PF00809
(Pterin_bind) 		5 ALA A 130
LEU A 120
LEU A 182
LYS A 179
LEU A   3
 None
 1.16A 4q0dD-5jq9A:
undetectable		 4q0dD-5jq9A:
19.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  10
LEU A  23
ASP A  31
SER A  36
LEU A  94
ARG A  97
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
None
73X  A 704 (-2.8A)
None
None
None
None
73X  A 704 (-4.2A)
 0.46A 4q0dD-5t0lA:
45.9		 4q0dD-5t0lA:
44.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  10
LEU A  23
ASP A  31
SER A  36
SER A  86
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
None
73X  A 704 (-2.8A)
None
NDP  A 702 (-3.8A)
None
73X  A 704 (-4.2A)
 0.57A 4q0dD-5t0lA:
45.9		 4q0dD-5t0lA:
44.48
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ALA A   8
ASP A  28
LEU A  29
LEU A  58
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 1.06A 4q0dD-6cxmA:
20.1		 4q0dD-6cxmA:
10.27
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ALA A   8
ASP A  28
LEU A  29
SER A  50
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 (-4.4A)
 0.96A 4q0dD-6cxmA:
20.1		 4q0dD-6cxmA:
10.27
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ALA A   8
ASP A  28
LEU A  58
ARG A  61
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.57A 4q0dD-6cxmA:
20.1		 4q0dD-6cxmA:
10.27
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.
6e4e -

(-) 		no annotation 5 ALA A   7
ASP A  27
LYS A  29
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.3A)
 1.30A 4q0dD-6e4eA:
22.1		 4q0dD-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 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
None
None
MMV  A 202 (-4.3A)
 0.67A 4q0dD-6e4eA:
22.1		 4q0dD-6e4eA:
undetectable