SIMILAR PATTERNS OF AMINO ACIDS FOR 3HJ3_B_MTXB609

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) 		7 ALA A   8
ASP A  27
PHE A  31
THR A  47
ILE A  51
LEU A  55
ARG A  58
 None
None
None
SO4  A 200 (-3.7A)
None
None
None
 0.63A 3hj3B-1cz3A:
20.0		 3hj3B-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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		7 ALA A   9
LEU A  22
LYS A  32
PHE A  34
THR A  56
ILE A  60
TYR A 121
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
None
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
None
 0.92A 3hj3B-1dr6A:
23.5		 3hj3B-1dr6A:
17.56
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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		8 ALA A   9
LEU A  22
PHE A  34
THR A  56
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
None
None
None
 0.79A 3hj3B-1dr6A:
23.5		 3hj3B-1dr6A:
17.56
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.
1e3h GUANOSINE
PENTAPHOSPHATE
SYNTHETASE

(Streptomyces
antibioticus) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03726
(PNPase) 		5 LEU A 229
LEU A 535
PHE A 521
ILE A 542
LEU A 492
 None
 1.08A 3hj3B-1e3hA:
undetectable		 3hj3B-1e3hA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ifw POLYADENYLATE-BINDIN
G PROTEIN,
CYTOPLASMIC AND
NUCLEAR

(Saccharomyces
cerevisiae) 		PF00658
(PABP) 		5 ALA A  34
SER A  63
THR A  46
ILE A  49
LEU A  60
 None
 0.98A 3hj3B-1ifwA:
undetectable		 3hj3B-1ifwA:
10.58
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		7 LEU A  28
ASP A  36
LEU A  37
PHE A  40
THR A  55
LEU A  63
ARG A  66
 None
None
None
None
NDP  A 194 (-3.3A)
None
None
 0.89A 3hj3B-1juvA:
16.5		 3hj3B-1juvA:
14.77
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.
1ks5 ENDOGLUCANASE A

(Aspergillus
niger) 		PF01670
(Glyco_hydro_12) 		5 ALA A  97
LEU A 117
THR A  81
ILE A  79
LEU A 196
 None
 1.10A 3hj3B-1ks5A:
undetectable		 3hj3B-1ks5A:
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.
1la2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE

(Saccharomyces
cerevisiae) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		5 ALA A  87
LEU A 164
THR A 443
LEU A  73
TYR A 105
 None
 1.15A 3hj3B-1la2A:
undetectable		 3hj3B-1la2A:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u6z EXOPOLYPHOSPHATASE

(Escherichia
coli) 		PF02541
(Ppx-GppA) 		5 ALA A  95
LEU A 102
LYS A 103
PHE A 101
LEU A  69
 None
 0.82A 3hj3B-1u6zA:
undetectable		 3hj3B-1u6zA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		6 ALA A   9
LYS A  32
PHE A  34
THR A  56
ILE A  60
TYR A 121
 NDP  A 188 (-3.6A)
None
MTX  A 187 (-4.3A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.2A)
None
 1.10A 3hj3B-1u70A:
23.1		 3hj3B-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) 		7 ALA A   9
PHE A  34
THR A  56
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
 0.69A 3hj3B-1u70A:
23.1		 3hj3B-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) 		7 ALA A   9
PHE A  34
THR A  56
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 ( 4.7A)
None
None
None
 0.65A 3hj3B-1u71A:
23.4		 3hj3B-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.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		9 ALA A   7
LEU A  20
ASP A  27
LEU A  28
PHE A  31
THR A  46
ILE A  50
LEU A  54
ARG A  57
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.72A 3hj3B-1zdrA:
21.4		 3hj3B-1zdrA:
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.
2b2n TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		no annotation 5 LEU A 106
LEU A 272
PHE A 273
ILE A  45
LEU A 327
 None
 1.15A 3hj3B-2b2nA:
undetectable		 3hj3B-2b2nA:
21.01
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.
2bap DIAPHANOUS PROTEIN
HOMOLOG 1

(Mus musculus) 		no annotation 5 ALA B 238
LEU B 234
LEU B 212
ILE B 185
LEU B 156
 None
 1.12A 3hj3B-2bapB:
undetectable		 3hj3B-2bapB:
19.77
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		8 ALA A  15
LEU A  45
ASP A  53
LYS A  55
PHE A  57
SER A  58
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
None
CP7  A1240 ( 4.1A)
MES  A1241 (-3.1A)
MES  A1241 (-2.7A)
None
 0.85A 3hj3B-2blbA:
23.1		 3hj3B-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) 		9 ALA A  15
LEU A  45
ASP A  53
PHE A  57
SER A  58
ILE A 121
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.63A 3hj3B-2blbA:
23.1		 3hj3B-2blbA:
16.51
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
LYS A  50
PHE A  52
THR A  80
TYR A 160
 NAP  A 523 (-3.7A)
None
None
None
NAP  A 523 (-3.5A)
None
 1.39A 3hj3B-2h2qA:
16.6		 3hj3B-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) 		8 ALA A  28
ASP A  48
PHE A  52
THR A  80
ILE A  84
LEU A  91
ARG A  94
TYR A 160
 NAP  A 523 (-3.7A)
None
None
NAP  A 523 (-3.5A)
None
None
None
None
 0.74A 3hj3B-2h2qA:
16.6		 3hj3B-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.
2ha8 TAR (HIV-1) RNA LOOP
BINDING PROTEIN

(Homo sapiens) 		PF00588
(SpoU_methylase) 		5 ALA A  75
LEU A  55
SER A  53
ILE A 168
LEU A  27
 None
 1.15A 3hj3B-2ha8A:
undetectable		 3hj3B-2ha8A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i1s HYPOTHETICAL PROTEIN

(Methanosarcina
mazei) 		PF07929
(PRiA4_ORF3) 		5 ALA A 101
LEU A  11
LEU A  90
LYS A  89
ILE A 120
 None
 1.05A 3hj3B-2i1sA:
undetectable		 3hj3B-2i1sA:
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.
2j04 YDR362CP

(Saccharomyces
cerevisiae) 		no annotation 5 ALA B 296
PHE B 386
SER B 385
ILE B 359
LEU B 396
 None
 1.07A 3hj3B-2j04B:
undetectable		 3hj3B-2j04B:
20.87
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.
2kzt PROGRAMMED CELL
DEATH PROTEIN 4

(Homo sapiens) 		PF02847
(MA3) 		5 ALA A 294
LEU A 243
PHE A 240
SER A 239
LEU A 223
 None
 1.15A 3hj3B-2kztA:
undetectable		 3hj3B-2kztA:
15.27
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) 		12 ALA A  11
LEU A  25
ASP A  32
LEU A  33
LYS A  34
PHE A  36
SER A  37
THR A  58
ILE A  62
LEU A  67
ARG A  70
TYR A 119
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
None
MTX  A 605 ( 4.1A)
MTX  A 605 ( 2.9A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
 0.40A 3hj3B-2oipA:
53.0		 3hj3B-2oipA:
99.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pmi CYCLIN-DEPENDENT
PROTEIN KINASE PHO85

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		5 ASP A 253
LEU A 254
THR A 262
ILE A 203
LEU A 270
 None
 1.11A 3hj3B-2pmiA:
undetectable		 3hj3B-2pmiA:
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.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		7 ALA A   8
LEU A  21
LEU A  29
ILE A  51
LEU A  55
ARG A  58
TYR A 102
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
 0.73A 3hj3B-2qk8A:
21.6		 3hj3B-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.
2vmx SERINE
HYDROXYMETHYLTRANSFE
RASE

(Geobacillus
stearothermophilus) 		PF00464
(SHMT) 		5 ALA A 295
LEU A 303
PHE A 301
ILE A 356
LEU A 317
 None
 1.16A 3hj3B-2vmxA:
undetectable		 3hj3B-2vmxA:
21.24
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		8 ALA A  11
ASP A  31
LEU A  32
PHE A  35
THR A  50
LEU A  61
ARG A  64
TYR A 108
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
None
 0.69A 3hj3B-2w3wA:
22.3		 3hj3B-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) 		6 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LYS A  29
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
 1.14A 3hj3B-2w9sA:
22.2		 3hj3B-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.
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
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
 0.64A 3hj3B-2w9sA:
22.2		 3hj3B-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.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA A   7
LEU A  20
LYS A  32
THR A  46
ILE A  50
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
None
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
 1.12A 3hj3B-2w9sA:
22.2		 3hj3B-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.
2wae PENICILLIN-BINDING
PROTEIN 2B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 ALA A 648
LEU A 348
SER A 374
THR A 491
ILE A 493
 None
 0.99A 3hj3B-2waeA:
undetectable		 3hj3B-2waeA:
22.81
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.
3c0i PERIPHERAL PLASMA
MEMBRANE PROTEIN
CASK

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 209
LEU A 276
LYS A 277
ILE A 125
TYR A 113
 None
 1.16A 3hj3B-3c0iA:
undetectable		 3hj3B-3c0iA:
21.37
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		7 ALA A   6
LEU A  19
ASP A  26
LEU A  27
PHE A  30
LEU A  54
ARG A  57
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.0A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
 0.54A 3hj3B-3dfrA:
21.9		 3hj3B-3dfrA:
14.29
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		7 ALA A   6
LEU A  19
ASP A  26
LEU A  27
PHE A  30
THR A  45
LEU A  54
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
 0.43A 3hj3B-3dfrA:
21.9		 3hj3B-3dfrA:
14.29
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		8 ALA A  16
LEU A  46
ASP A  54
PHE A  58
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.3A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
 0.65A 3hj3B-3dg8A:
23.7		 3hj3B-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.
3esi UNCHARACTERIZED
PROTEIN

(Pectobacterium
atrosepticum) 		PF07977
(FabA) 		5 ALA A  56
LEU A 119
PHE A  99
SER A 114
ILE A  69
 None
 1.06A 3hj3B-3esiA:
undetectable		 3hj3B-3esiA:
12.87
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
ASP X  27
LYS X  29
LEU X  54
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
None
None
None
None
 0.91A 3hj3B-3i8aX:
22.2		 3hj3B-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
THR X  46
ILE X  50
LEU X  54
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
None
 0.73A 3hj3B-3i8aX:
22.2		 3hj3B-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
LEU X  20
ASP X  27
LEU X  28
LYS X  29
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
None
None
None
 0.96A 3hj3B-3i8aX:
22.2		 3hj3B-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
THR X  46
ILE X  50
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
 0.66A 3hj3B-3i8aX:
22.2		 3hj3B-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) 		8 ALA A   8
LEU A  29
PHE A  32
THR A  47
ILE A  51
LEU A  55
ARG A  58
TYR A 102
 MTX  A 164 ( 3.7A)
MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
None
 0.53A 3hj3B-3ia4A:
12.3		 3hj3B-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) 		7 ALA A  10
LEU A  23
LEU A  31
PHE A  34
THR A  49
LEU A  58
ARG A  61
 MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.4A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
 0.65A 3hj3B-3ix9A:
22.5		 3hj3B-3ix9A:
16.50
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.
3kc2 UNCHARACTERIZED
PROTEIN YKR070W

(Saccharomyces
cerevisiae) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 ALA A  15
LEU A  41
PHE A 294
SER A 314
LEU A 335
 None
 1.11A 3hj3B-3kc2A:
undetectable		 3hj3B-3kc2A:
21.70
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.
3keb PROBABLE THIOL
PEROXIDASE

(Chromobacterium
violaceum) 		no annotation 6 ALA A 141
LEU A  41
SER A  28
THR A  53
ILE A  86
ARG A 120
 None
 1.49A 3hj3B-3kebA:
undetectable		 3hj3B-3kebA:
17.58
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) 		7 ALA A  16
ASP A  37
THR A  69
ILE A  73
LEU A  80
ARG A  83
TYR A 129
 NAP  A 512 (-3.7A)
None
NAP  A 512 (-3.6A)
None
None
None
None
 0.58A 3hj3B-3kjrA:
45.2		 3hj3B-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.
3lgs 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASES

(Arabidopsis
thaliana) 		PF01048
(PNP_UDP_1) 		5 LEU A 164
LEU A 220
LYS A 221
ILE A 256
LEU A  42
 None
 1.10A 3hj3B-3lgsA:
undetectable		 3hj3B-3lgsA:
18.30
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.
3lgs 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASES

(Arabidopsis
thaliana) 		PF01048
(PNP_UDP_1) 		5 LEU A 168
LEU A 220
LYS A 221
ILE A 256
LEU A  42
 None
 1.16A 3hj3B-3lgsA:
undetectable		 3hj3B-3lgsA:
18.30
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.
3okf 3-DEHYDROQUINATE
SYNTHASE

(Vibrio cholerae) 		PF01761
(DHQ_synthase) 		5 ALA A 304
LEU A 204
THR A 276
ILE A 194
ARG A 296
 None
 1.01A 3hj3B-3okfA:
undetectable		 3hj3B-3okfA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r89 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Anaerococcus
prevotii) 		PF00215
(OMPdecase) 		5 LEU A  85
LEU A  62
THR A  53
ILE A  49
LEU A 253
 None
 1.09A 3hj3B-3r89A:
undetectable		 3hj3B-3r89A:
20.65
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		7 ALA A  34
ASP A  54
PHE A  58
THR A  86
LEU A  97
ARG A 100
TYR A 166
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
None
None
None
 0.65A 3hj3B-3rg9A:
22.7		 3hj3B-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.
3s51 FANCONI ANEMIA GROUP
I PROTEIN HOMOLOG

(Mus musculus) 		PF14674
(FANCI_S1-cap)
PF14675
(FANCI_S1)
PF14676
(FANCI_S2)
PF14677
(FANCI_S3)
PF14678
(FANCI_S4)
PF14679
(FANCI_HD1)
PF14680
(FANCI_HD2) 		5 ALA A  42
ASP A   2
LEU A   3
LYS A   4
SER A   7
 None
 0.88A 3hj3B-3s51A:
undetectable		 3hj3B-3s51A:
17.69
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		9 ALA A   8
LEU A  21
ASP A  28
LEU A  29
PHE A  32
THR A  47
ILE A  51
LEU A  55
ARG A  58
 MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
 0.61A 3hj3B-3tq9A:
22.4		 3hj3B-3tq9A:
19.32
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) 		8 LEU A  46
ASP A  54
PHE A  58
THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.85A 3hj3B-3um6A:
41.5		 3hj3B-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.
3v5r PROTEIN GAL3

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 ALA A 357
LEU A 382
THR A 274
ILE A 271
LEU A 370
 None
 1.08A 3hj3B-3v5rA:
undetectable		 3hj3B-3v5rA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		8 ALA A   8
ASP A  28
PHE A  32
THR A  53
ILE A  57
LEU A  64
ARG A  67
TYR A 117
 None
None
None
SO4  A 201 (-3.7A)
None
None
None
None
 0.60A 3hj3B-3vcoA:
20.3		 3hj3B-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.
4c3o HYDROGENASE-1 LARGE
SUBUNIT

(Salmonella
enterica) 		PF00374
(NiFeSe_Hases) 		5 ALA A 136
LYS A 193
THR A 145
ILE A 148
LEU A 281
 None
 1.13A 3hj3B-4c3oA:
undetectable		 3hj3B-4c3oA:
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.
4dgk PHYTOENE
DEHYDROGENASE

(Pantoea
ananatis) 		PF01593
(Amino_oxidase) 		5 ALA A  17
LEU A 230
LYS A 229
ILE A  63
LEU A 223
 None
 1.09A 3hj3B-4dgkA:
undetectable		 3hj3B-4dgkA:
22.55
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.
4dvy CYTOTOXICITY-ASSOCIA
TED IMMUNODOMINANT
ANTIGEN

(Helicobacter
pylori) 		no annotation 5 ALA P 168
LYS P  36
PHE P  34
LEU P 386
ARG P  60
 None
 1.16A 3hj3B-4dvyP:
undetectable		 3hj3B-4dvyP:
20.60
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		8 ALA X  12
LEU X  25
PHE X  36
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
 0.82A 3hj3B-4g8zX:
22.4		 3hj3B-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) 		8 ALA X  12
PHE X  36
SER X  37
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
None
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
 0.89A 3hj3B-4g8zX:
22.4		 3hj3B-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) 		7 ALA A  11
PHE A  36
THR A  58
ILE A  62
LEU A  69
ARG A  72
TYR A 118
 14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
None
None
 0.70A 3hj3B-4h96A:
21.6		 3hj3B-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) 		8 ALA A  11
LEU A  25
PHE A  36
THR A  58
ILE A  62
LEU A  69
ARG A  72
TYR A 127
 14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-3.8A)
NDP  A 301 (-3.5A)
14Q  A 302 (-4.2A)
None
None
None
 0.63A 3hj3B-4h98A:
22.8		 3hj3B-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.
4kpo NUCLEOSIDE
N-RIBOHYDROLASE 3

(Zea mays) 		PF01156
(IU_nuc_hydro) 		5 ALA A 296
LEU A 149
THR A 272
ILE A 167
LEU A 126
 None
 1.03A 3hj3B-4kpoA:
undetectable		 3hj3B-4kpoA:
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.
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
ILE A 405
LEU A 445
 None
 1.14A 3hj3B-4lxrA:
undetectable		 3hj3B-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) 		7 ALA A   7
ASP A  27
PHE A  31
THR A  46
LEU A  57
ARG A  60
TYR A 100
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.4A)
None
None
None
 0.69A 3hj3B-4m2xA:
21.6		 3hj3B-4m2xA:
18.31
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.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		8 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LYS A  29
PHE A  31
THR A  46
ARG A  58
 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 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 ( 3.2A)
 0.68A 3hj3B-4m7vA:
21.9		 3hj3B-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) 		8 ALA A   7
LEU A  20
ASP A  27
LEU A  28
PHE A  31
THR A  46
LEU A  55
ARG A  58
 RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
 0.73A 3hj3B-4m7vA:
21.9		 3hj3B-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.
4nsx U3 SMALL NUCLEOLAR
RNA-ASSOCIATED
PROTEIN 21

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 ALA A  93
LEU A 112
LEU A 128
ILE A 137
LEU A 180
 None
 1.16A 3hj3B-4nsxA:
undetectable		 3hj3B-4nsxA:
20.67
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.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		7 ALA A   7
ASP A  27
PHE A  31
THR A  46
ILE A  50
ARG A  57
TYR A 100
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 (-4.1A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
None
 0.55A 3hj3B-4p68A:
22.1		 3hj3B-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.
4r8f VACUOLAR
AMINOPEPTIDASE 1

(Saccharomyces
cerevisiae) 		PF02127
(Peptidase_M18) 		5 ALA A 148
LEU A 222
LYS A 221
ILE A 131
LEU A 215
 None
 1.08A 3hj3B-4r8fA:
undetectable		 3hj3B-4r8fA:
21.39
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.
4rcd BETA-SECRETASE 1

(Homo sapiens) 		PF00026
(Asp) 		5 LEU A 213
LEU A 236
PHE A 241
SER A 325
ILE A 248
 None
 1.16A 3hj3B-4rcdA:
undetectable		 3hj3B-4rcdA:
21.92
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.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 LEU A2397
LEU A2331
LYS A2330
ILE A2402
LEU A2358
 None
 1.09A 3hj3B-4rh7A:
undetectable		 3hj3B-4rh7A:
9.48
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.
4xkb YCF53-LIKE PROTEIN

(Synechocystis
sp. PCC 6803) 		PF05419
(GUN4)
PF16416
(GUN4_N) 		5 ALA A  88
LYS A 137
PHE A 138
LEU A 130
TYR A  93
 None
 1.14A 3hj3B-4xkbA:
undetectable		 3hj3B-4xkbA:
18.70
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
ARG A  74
TYR A 117
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
 0.52A 3hj3B-5dxvA:
4.6		 3hj3B-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) 		6 LEU A  45
PHE A  48
ILE A  67
LEU A  71
ARG A  74
TYR A 117
 PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
 1.01A 3hj3B-5dxvA:
4.6		 3hj3B-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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
PHE A  31
THR A  46
ARG A  56
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-4.1A)
NAP  A 201 (-3.2A)
None
None
 0.80A 3hj3B-5ecxA:
22.7		 3hj3B-5ecxA:
23.68
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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
PHE A  31
THR A  46
LEU A  53
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-4.1A)
NAP  A 201 (-3.2A)
5N1  A 202 ( 4.7A)
None
 0.67A 3hj3B-5ecxA:
22.7		 3hj3B-5ecxA:
23.68
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.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		6 ALA A   8
THR A  47
ILE A  51
LEU A  55
ARG A  58
TYR A 101
 None
 1.13A 3hj3B-5fdaA:
3.9		 3hj3B-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.
5g51 DWV-VP3-P-DOMAIN

(Deformed wing
virus) 		no annotation 5 ALA A 310
LEU A 312
THR A 345
ILE A 343
LEU A 364
 None
 1.10A 3hj3B-5g51A:
undetectable		 3hj3B-5g51A:
14.42
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.
5gm3 ENDOGLUCANASE-1

(Aspergillus
aculeatus) 		PF01670
(Glyco_hydro_12) 		5 ALA A  99
LEU A 119
THR A  83
ILE A  81
LEU A 194
 None
 1.10A 3hj3B-5gm3A:
undetectable		 3hj3B-5gm3A:
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.
5gmh TOLL-LIKE RECEPTOR 7

(Macaca mulatta) 		PF00560
(LRR_1)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 ASP A 548
LEU A 547
PHE A 549
ILE A 508
LEU A 533
 NAG  A 902 (-3.9A)
None
None
None
None
 1.13A 3hj3B-5gmhA:
undetectable		 3hj3B-5gmhA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5htv PUTATIVE XYLULOSE
KINASE

(Arabidopsis
thaliana) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		6 ALA A 246
LEU A 287
SER A 266
THR A 254
ILE A 262
LEU A 375
 None
 1.47A 3hj3B-5htvA:
undetectable		 3hj3B-5htvA:
22.63
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.
5i5d INNER MEMBRANE
PROTEIN YEJM

(Salmonella
enterica) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		5 ALA A 420
LEU A 270
LEU A 282
ILE A 265
LEU A 431
 None
 1.09A 3hj3B-5i5dA:
undetectable		 3hj3B-5i5dA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.14A 3hj3B-5jq9A:
undetectable		 3hj3B-5jq9A:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ktl 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Trichormus
variabilis) 		PF00701
(DHDPS) 		5 LEU A 246
LEU A 212
THR A  47
ILE A  12
LEU A  29
 None
None
KPI  A 164 ( 3.5A)
None
None
 1.07A 3hj3B-5ktlA:
undetectable		 3hj3B-5ktlA:
20.92
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.
5m2d ENDOGLUCANASE-LIKE
PROTEIN

(Acremonium
chrysogenum) 		no annotation 5 ALA A 104
LEU A 124
THR A  88
ILE A  86
LEU A 199
 None
 1.01A 3hj3B-5m2dA:
undetectable		 3hj3B-5m2dA:
18.22
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) 		9 ALA A  10
LEU A  23
ASP A  31
PHE A  35
SER A  36
THR A  83
LEU A  94
ARG A  97
TYR A 157
 73X  A 704 (-4.0A)
None
73X  A 704 (-2.8A)
73X  A 704 (-3.2A)
None
NDP  A 702 (-3.2A)
None
None
None
 0.50A 3hj3B-5t0lA:
46.6		 3hj3B-5t0lA:
44.66
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.
5tf0 GLYCOSYL HYDROLASE
FAMILY 3 N-TERMINAL
DOMAIN PROTEIN

(Bacteroides
intestinalis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ALA A 144
LEU A 202
LYS A 203
ILE A 108
LEU A 362
 None
 0.92A 3hj3B-5tf0A:
undetectable		 3hj3B-5tf0A:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ucg STAGE II SPORULATION
PROTEIN E

(Bacillus
subtilis) 		PF07228
(SpoIIE) 		5 ALA A 660
LEU A 651
LEU A 682
LYS A 696
ILE A 644
 None
 1.13A 3hj3B-5ucgA:
undetectable		 3hj3B-5ucgA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xni MCYF

(Microcystis
aeruginosa) 		no annotation 5 LEU A 182
LEU A 126
SER A 195
ILE A 175
LEU A 166
 None
None
DGL  A 301 (-2.8A)
None
None
 1.15A 3hj3B-5xniA:
undetectable		 3hj3B-5xniA:
9.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yt0 PROBABLE TRANSLATION
INITIATION FACTOR
IF-2

(Aeropyrum
pernix) 		no annotation 5 ALA A 140
LEU A 172
LEU A 192
PHE A 193
THR A 160
 None
 0.97A 3hj3B-5yt0A:
undetectable		 3hj3B-5yt0A:
9.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b0t FASCIN

(Homo sapiens) 		no annotation 5 ALA A 242
LEU A 196
SER A 187
ILE A 144
LEU A 179
 None
 1.09A 3hj3B-6b0tA:
undetectable		 3hj3B-6b0tA:
9.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bdc HCP1

(Flavobacterium
johnsoniae) 		no annotation 5 LEU A  83
PHE A  85
SER A  68
ILE A  44
LEU A   7
 None
 1.12A 3hj3B-6bdcA:
undetectable		 3hj3B-6bdcA:
12.02
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ALA A   8
ASP A  28
LEU A  29
PHE A  32
LEU A  58
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
None
 1.00A 3hj3B-6cxmA:
20.6		 3hj3B-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 7 ALA A   8
ASP A  28
PHE A  32
THR A  47
LEU A  58
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.63A 3hj3B-6cxmA:
20.6		 3hj3B-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.
6d4j PROTEIN PATCHED
HOMOLOG 1

(Homo sapiens) 		no annotation 5 ALA A 497
LEU A 570
PHE A 573
SER A 574
ILE A1085
 None
 1.04A 3hj3B-6d4jA:
undetectable		 3hj3B-6d4jA:
10.65
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.
6e4e -

(-) 		no annotation 6 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LYS A  29
THR A  46
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
None
NAP  A 201 ( 3.3A)
 1.23A 3hj3B-6e4eA:
22.4		 3hj3B-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
THR A  46
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
 0.70A 3hj3B-6e4eA:
22.4		 3hj3B-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.
6ej2 BETA-SECRETASE 1

(Homo sapiens) 		no annotation 5 LEU A 622
LEU A 645
PHE A 650
SER A 734
ILE A 657
 None
 1.10A 3hj3B-6ej2A:
undetectable		 3hj3B-6ej2A:
9.53