SIMILAR PATTERNS OF AMINO ACIDS FOR 3HJ3_A_MTXA605_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) 		8 ALA A   8
ASP A  27
PHE A  31
THR A  47
ILE A  51
LEU A  55
ARG A  58
THR A 121
 None
None
None
SO4  A 200 (-3.7A)
None
None
None
None
 0.69A 3hj3A-1cz3A:
19.8		 3hj3A-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.
1ddl DESMODIUM YELLOW
MOTTLE VIRUS

(Desmodium
yellow mottle
virus) 		PF00983
(Tymo_coat) 		5 ALA A  69
LEU A  71
LEU A  59
SER A  57
THR A 150
 None
 1.21A 3hj3A-1ddlA:
undetectable		 3hj3A-1ddlA:
15.68
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.
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
 1.15A 3hj3A-1dkrA:
2.0		 3hj3A-1dkrA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		8 ALA A   9
LEU A  22
PHE A  34
THR A  56
LEU A  67
ARG A  70
TYR A 121
THR A 136
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
None
None
HBI  A 198 ( 4.5A)
 0.65A 3hj3A-1dr6A:
23.6		 3hj3A-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
PHE A  34
THR A  56
ILE A  60
LEU A  67
ARG A  70
TYR A 121
THR A 136
 HBI  A 198 ( 3.6A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
None
None
None
HBI  A 198 ( 4.5A)
 0.88A 3hj3A-1dr6A:
23.6		 3hj3A-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
 1.13A 3hj3A-1e3hA:
undetectable		 3hj3A-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.
1ekq HYDROXYETHYLTHIAZOLE
KINASE

(Bacillus
subtilis) 		PF02110
(HK) 		5 ALA A 108
LEU A  69
ILE A  23
LEU A  62
THR A 130
 None
 1.20A 3hj3A-1ekqA:
undetectable		 3hj3A-1ekqA:
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.
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
 1.06A 3hj3A-1ifwA:
undetectable		 3hj3A-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.
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 3hj3A-1j1uA:
undetectable		 3hj3A-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) 		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 3hj3A-1juvA:
16.5		 3hj3A-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
 1.17A 3hj3A-1ks5A:
undetectable		 3hj3A-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
 1.13A 3hj3A-1la2A:
undetectable		 3hj3A-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.
1li7 CYSTEINYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF01406
(tRNA-synt_1e)
PF09190
(DALR_2) 		5 ALA A 322
LEU A 394
LEU A 359
PHE A 360
SER A 357
 None
 1.19A 3hj3A-1li7A:
undetectable		 3hj3A-1li7A:
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.
1njf DNA POLYMERASE III
SUBUNIT GAMMA

(Escherichia
coli) 		PF13177
(DNA_pol3_delta2) 		5 LEU A 139
PHE A 136
SER A 135
THR A 156
THR A 165
 None
 1.19A 3hj3A-1njfA:
undetectable		 3hj3A-1njfA:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1spx SHORT-CHAIN
REDUCTASE FAMILY
MEMBER (5L265)

(Caenorhabditis
elegans) 		PF13561
(adh_short_C2) 		5 LEU A 136
THR A  12
ILE A  10
LEU A  77
THR A 176
 None
 1.04A 3hj3A-1spxA:
undetectable		 3hj3A-1spxA:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		8 ALA A   9
PHE A  34
THR A  56
ILE A  60
LEU A  67
ARG A  70
TYR A 121
THR A 136
 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
MTX  A 187 (-4.4A)
 0.76A 3hj3A-1u70A:
23.1		 3hj3A-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) 		8 ALA A   9
PHE A  34
THR A  56
ILE A  60
LEU A  67
ARG A  70
TYR A 121
THR A 136
 MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 ( 4.7A)
None
None
None
MXA  A 187 (-4.3A)
 0.69A 3hj3A-1u71A:
23.3		 3hj3A-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.
1wko TERMINAL FLOWER 1
PROTEIN

(Arabidopsis
thaliana) 		PF01161
(PBP) 		5 ALA A 162
LEU A  70
PHE A 128
ILE A  73
THR A  29
 None
 1.09A 3hj3A-1wkoA:
undetectable		 3hj3A-1wkoA:
15.96
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.
1xxi DNA POLYMERASE III
SUBUNIT GAMMA

(Escherichia
coli) 		PF12169
(DNA_pol3_gamma3)
PF13177
(DNA_pol3_delta2) 		5 LEU B 139
PHE B 136
SER B 135
THR B 156
THR B 165
 None
 1.19A 3hj3A-1xxiB:
undetectable		 3hj3A-1xxiB:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ys7 TRANSCRIPTIONAL
REGULATORY PROTEIN
PRRA

(Mycobacterium
tuberculosis) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		5 ALA A 151
LEU A 211
LEU A 230
ILE A 204
LEU A 184
 None
 1.21A 3hj3A-1ys7A:
undetectable		 3hj3A-1ys7A:
17.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.15A 3hj3A-1zbrA:
undetectable		 3hj3A-1zbrA:
21.00
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.
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
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.59A 3hj3A-1zdrA:
21.4		 3hj3A-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.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		9 ALA A   7
LEU A  20
ASP A  27
PHE A  31
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.76A 3hj3A-1zdrA:
21.4		 3hj3A-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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		5 ALA A  15
ASP A  53
SER A  59
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
None
CP7  A1240 (-4.1A)
 1.15A 3hj3A-2blbA:
23.2		 3hj3A-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) 		10 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
THR A 194
 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
CP7  A1240 (-4.1A)
 0.60A 3hj3A-2blbA:
23.2		 3hj3A-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.
2eno SYNAPTOJANIN-2-BINDI
NG PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A  95
LEU A  30
LEU A 101
SER A  74
ILE A  34
 None
 1.18A 3hj3A-2enoA:
undetectable		 3hj3A-2enoA:
14.01
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) 		9 ALA A  28
ASP A  48
PHE A  52
THR A  80
ILE A  84
LEU A  91
ARG A  94
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
NAP  A 523 (-3.5A)
None
None
None
None
None
 0.76A 3hj3A-2h2qA:
18.1		 3hj3A-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.
2j04 YDR362CP

(Saccharomyces
cerevisiae) 		no annotation 5 ALA B 296
PHE B 386
SER B 385
ILE B 359
LEU B 396
 None
 1.09A 3hj3A-2j04B:
undetectable		 3hj3A-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 3hj3A-2kztA:
undetectable		 3hj3A-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
PHE A  36
SER A  37
THR A  58
ILE A  62
LEU A  67
ARG A  70
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 ( 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
MTX  A 605 ( 4.2A)
 0.25A 3hj3A-2oipA:
52.8		 3hj3A-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.
2q42 PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 2

(Arabidopsis
thaliana) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 PHE A 134
SER A 137
THR A  53
TYR A  15
THR A 209
 ACY  A 800 (-4.5A)
ACY  A 800 (-3.0A)
None
None
None
 1.17A 3hj3A-2q42A:
undetectable		 3hj3A-2q42A:
19.29
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.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		8 ALA A   8
LEU A  21
LEU A  29
ILE A  51
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 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
MTX  A 200 ( 4.4A)
 0.73A 3hj3A-2qk8A:
21.5		 3hj3A-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
 1.21A 3hj3A-2vmxA:
undetectable		 3hj3A-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) 		9 ALA A  11
ASP A  31
LEU A  32
PHE A  35
THR A  50
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 (-3.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
None
VG9  A1168 ( 4.7A)
 0.68A 3hj3A-2w3wA:
22.1		 3hj3A-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) 		10 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
THR A 111
 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
TOP  A1160 ( 4.5A)
 0.65A 3hj3A-2w9sA:
22.3		 3hj3A-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
 0.96A 3hj3A-2waeA:
undetectable		 3hj3A-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.
3bc1 RAS-RELATED PROTEIN
RAB-27A

(Mus musculus) 		PF00071
(Ras) 		5 LEU A  98
ASP A  74
LEU A  26
ILE A 170
THR A  41
 None
MG  A 194 ( 4.0A)
None
None
MG  A 194 ( 3.1A)
 1.20A 3hj3A-3bc1A:
undetectable		 3hj3A-3bc1A:
17.50
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		8 ALA A   6
LEU A  19
ASP A  26
LEU A  27
PHE A  30
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 ( 4.0A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.54A 3hj3A-3dfrA:
21.9		 3hj3A-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) 		8 ALA A   6
LEU A  19
ASP A  26
LEU A  27
PHE A  30
THR A  45
LEU A  54
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 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.3A)
 0.47A 3hj3A-3dfrA:
21.9		 3hj3A-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) 		9 ALA A  16
LEU A  46
ASP A  54
PHE A  58
ILE A 112
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 (-4.3A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.66A 3hj3A-3dg8A:
23.8		 3hj3A-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
 1.17A 3hj3A-3esiA:
undetectable		 3hj3A-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.
3fs3 NUCLEOSOME ASSEMBLY
PROTEIN 1, PUTATIVE

(Plasmodium
falciparum) 		PF00956
(NAP) 		5 ALA A 185
PHE A 150
LEU A 107
TYR A 167
THR A 186
 None
 1.21A 3hj3A-3fs3A:
undetectable		 3hj3A-3fs3A:
20.37
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		8 ALA X   7
ASP X  27
THR X  46
ILE X  50
LEU X  54
ARG X  57
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
None
N22  X 219 (-4.4A)
 0.77A 3hj3A-3i8aX:
22.2		 3hj3A-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) 		9 ALA X   7
LEU X  20
ASP X  27
LEU X  28
THR X  46
ILE X  50
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)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.62A 3hj3A-3i8aX:
22.2		 3hj3A-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) 		9 ALA A   8
LEU A  29
PHE A  32
THR A  47
ILE A  51
LEU A  55
ARG A  58
TYR A 102
THR A 115
 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
MTX  A 164 (-4.3A)
 0.64A 3hj3A-3ia4A:
21.8		 3hj3A-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) 		8 ALA A  10
LEU A  23
LEU A  31
PHE A  34
THR A  49
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 (-4.4A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
MTX  A 200 ( 4.5A)
 0.60A 3hj3A-3ix9A:
22.6		 3hj3A-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.
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
 1.45A 3hj3A-3kebA:
undetectable		 3hj3A-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) 		8 ALA A  16
ASP A  37
THR A  69
ILE A  73
LEU A  80
ARG A  83
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
NAP  A 512 (-3.6A)
None
None
None
None
None
 0.59A 3hj3A-3kjrA:
45.2		 3hj3A-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.
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
 1.06A 3hj3A-3okfA:
undetectable		 3hj3A-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.
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)
 1.17A 3hj3A-3rg9A:
22.6		 3hj3A-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) 		8 ALA A  34
ASP A  54
PHE A  58
THR A  86
LEU A  97
ARG A 100
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
None
None
None
WRA  A 602 (-4.2A)
 0.61A 3hj3A-3rg9A:
22.6		 3hj3A-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
 1.18A 3hj3A-3rhtA:
undetectable		 3hj3A-3rhtA:
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		10 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
THR A 115
 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)
MTX  A2001 (-4.3A)
 0.67A 3hj3A-3tq9A:
22.4		 3hj3A-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) 		7 ASP A  54
PHE A  58
THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.94A 3hj3A-3um6A:
41.4		 3hj3A-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) 		8 LEU A  46
ASP A  54
PHE A  58
THR A 108
LEU A 119
ARG A 122
TYR A 170
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.53A 3hj3A-3um6A:
41.4		 3hj3A-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
 1.15A 3hj3A-3v5rA:
undetectable		 3hj3A-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) 		9 ALA A   8
ASP A  28
PHE A  32
THR A  53
ILE A  57
LEU A  64
ARG A  67
TYR A 117
THR A 133
 None
None
None
SO4  A 201 (-3.7A)
None
None
None
None
None
 0.62A 3hj3A-3vcoA:
20.4		 3hj3A-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.
3zxs CRYPTOCHROME B

(Rhodobacter
sphaeroides) 		PF04244
(DPRP) 		5 ALA A 376
PHE A 452
SER A 423
THR A 342
TYR A 337
 None
 1.07A 3hj3A-3zxsA:
2.6		 3hj3A-3zxsA:
21.82
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		9 ALA X  12
LEU X  25
PHE X  36
THR X  61
ILE X  65
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 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.84A 3hj3A-4g8zX:
22.5		 3hj3A-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
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
None
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.93A 3hj3A-4g8zX:
22.5		 3hj3A-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) 		8 ALA A  11
PHE A  36
THR A  58
ILE A  62
LEU A  69
ARG A  72
TYR A 118
THR A 133
 14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
None
None
14Q  A 202 ( 4.6A)
 0.83A 3hj3A-4h96A:
21.6		 3hj3A-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) 		9 ALA A  11
LEU A  25
PHE A  36
THR A  58
ILE A  62
LEU A  69
ARG A  72
TYR A 127
THR A 140
 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
14Q  A 302 (-4.2A)
 0.70A 3hj3A-4h98A:
22.8		 3hj3A-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.
4ihq FLAI ATPASE

(Sulfolobus
acidocaldarius) 		PF00437
(T2SSE) 		5 LEU A 321
PHE A 346
ILE A 337
LEU A 371
THR A 351
 None
 1.05A 3hj3A-4ihqA:
undetectable		 3hj3A-4ihqA:
22.08
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.
4kpn NUCLEOSIDE
N-RIBOHYDROLASE 1

(Physcomitrella
patens) 		PF01156
(IU_nuc_hydro) 		5 ALA A 314
LEU A 167
THR A 290
ILE A 185
LEU A 144
 None
 1.10A 3hj3A-4kpnA:
undetectable		 3hj3A-4kpnA:
20.07
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		8 ALA A   7
ASP A  27
PHE A  31
THR A  46
LEU A  57
ARG A  60
TYR A 100
THR A 113
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.4A)
None
None
None
TMQ  A 202 (-4.2A)
 0.65A 3hj3A-4m2xA:
21.3		 3hj3A-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
ASP A  27
LEU A  28
PHE A  31
THR A  46
LEU A  55
ARG A  58
THR A 116
 RAR  A 200 ( 3.6A)
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)
RAR  A 200 (-4.4A)
 0.64A 3hj3A-4m7vA:
21.8		 3hj3A-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
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 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.67A 3hj3A-4m7vA:
21.8		 3hj3A-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.
4mh1 SORBOSE
DEHYDROGENASE

(Ketogulonicigenium
vulgare) 		PF13360
(PQQ_2) 		5 ALA A 111
LEU A 126
PHE A 119
SER A 121
ARG A  92
 None
 1.14A 3hj3A-4mh1A:
undetectable		 3hj3A-4mh1A:
22.08
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.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		8 ALA A   7
ASP A  27
PHE A  31
THR A  46
ILE A  50
ARG A  57
TYR A 100
THR A 113
 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
MTX  A 201 ( 4.5A)
 0.61A 3hj3A-4p68A:
22.0		 3hj3A-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.
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
 1.17A 3hj3A-4rcdA:
undetectable		 3hj3A-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.
4wis LIPID SCRAMBLASE

([Nectria]
haematococca) 		PF04547
(Anoctamin) 		5 ALA A 444
ILE A 306
ARG A 432
TYR A 513
THR A 443
 None
 1.14A 3hj3A-4wisA:
undetectable		 3hj3A-4wisA:
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.
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
 1.21A 3hj3A-4yamA:
undetectable		 3hj3A-4yamA:
19.58
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.
4zxb FAB 83-7 HEAVY CHAIN
INSULIN RECEPTOR

(Homo sapiens;
Mus musculus) 		PF00041
(fn3)
PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF07654
(C1-set)
PF07686
(V-set) 		5 PHE A  27
SER A  25
LEU A   4
TYR A 100
THR E 223
 None
 1.19A 3hj3A-4zxbA:
undetectable		 3hj3A-4zxbA:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
GAMMA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 LEU B 218
THR B  34
ILE B  35
LEU B 241
THR B 204
 None
 1.10A 3hj3A-5a8rB:
undetectable		 3hj3A-5a8rB:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b6t GLYCOSYL HYDROLASE
FAMILY 62 PROTEIN

(Coprinopsis
cinerea) 		PF03664
(Glyco_hydro_62) 		5 LEU A 292
LEU A 365
SER A 395
THR A 308
ILE A 283
 None
 1.12A 3hj3A-5b6tA:
undetectable		 3hj3A-5b6tA:
21.40
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.
5dgx LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA

(Francisella
tularensis) 		PF00005
(ABC_tran) 		5 LEU A 530
PHE A 532
ILE A 519
LEU A 551
THR A 414
 None
 1.19A 3hj3A-5dgxA:
undetectable		 3hj3A-5dgxA:
19.37
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		8 ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.60A 3hj3A-5dxvA:
13.3		 3hj3A-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) 		7 LEU A  45
PHE A  48
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.99A 3hj3A-5dxvA:
13.3		 3hj3A-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
 0.83A 3hj3A-5ecxA:
22.8		 3hj3A-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
 0.68A 3hj3A-5ecxA:
22.8		 3hj3A-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) 		7 ALA A   8
THR A  47
ILE A  51
LEU A  55
ARG A  58
TYR A 101
THR A 114
 None
 1.06A 3hj3A-5fdaA:
15.2		 3hj3A-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.
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
 1.16A 3hj3A-5gm3A:
undetectable		 3hj3A-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
 1.11A 3hj3A-5gmhA:
undetectable		 3hj3A-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.
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
 1.17A 3hj3A-5i5dA:
undetectable		 3hj3A-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.
5i7k BPI FOLD-CONTAINING
FAMILY A MEMBER 1

(Homo sapiens) 		PF01273
(LBP_BPI_CETP) 		5 ALA A 161
LEU A  55
LEU A 120
ILE A 242
THR A 160
 None
 1.15A 3hj3A-5i7kA:
undetectable		 3hj3A-5i7kA:
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.
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
 1.10A 3hj3A-5m2dA:
undetectable		 3hj3A-5m2dA:
18.22
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.
5mpt CITRININ POLYKETIDE
SYNTHASE

(Monascus
purpureus) 		PF08242
(Methyltransf_12) 		5 ALA A2068
LEU A2108
PHE A2105
THR A1995
LEU A1919
 SAH  A2201 ( 3.9A)
None
None
SAH  A2201 (-3.0A)
None
 1.18A 3hj3A-5mptA:
2.1		 3hj3A-5mptA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5na4 NADH
DEHYDROGENASE-LIKE
PROTEIN
SAOUHSC_00878

(Staphylococcus
aureus) 		no annotation 5 ALA A 262
LEU A 174
PHE A 173
THR A 258
ILE A 161
 None
 1.22A 3hj3A-5na4A:
undetectable		 3hj3A-5na4A:
8.49
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.
5odr HETERODISULFIDE
REDUCTASE, SUBUNIT A

(Methanothermococcus
thermolithotrophicus) 		PF07992
(Pyr_redox_2)
PF13187
(Fer4_9) 		5 LEU A 488
LEU A 355
THR A 421
ILE A 423
THR A 365
 None
 1.21A 3hj3A-5odrA:
undetectable		 3hj3A-5odrA:
21.20
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) 		10 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
THR A 172
 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
73X  A 704 (-4.2A)
 0.45A 3hj3A-5t0lA:
46.4		 3hj3A-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.
5um8 GLYCOPROTEIN GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 LEU G 342
LEU G 454
THR G 394
ILE G 359
THR G 387
 None
None
NAG  G 725 (-3.6A)
None
None
 1.11A 3hj3A-5um8G:
undetectable		 3hj3A-5um8G:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v8c TRANSCRIPTIONAL
REGULATOR

(Actinomyces
oris) 		no annotation 5 LEU A 147
LEU A 355
SER A 361
ILE A 153
THR A  99
 None
 1.05A 3hj3A-5v8cA:
undetectable		 3hj3A-5v8cA:
10.04
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.
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
 0.98A 3hj3A-5yt0A:
undetectable		 3hj3A-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.
6az0 MITOCHONDRIAL INNER
MEMBRANE I-AAA
PROTEASE
SUPERCOMPLEX SUBUNIT
YME1

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A 375
LEU A 365
PHE A 366
ILE A 379
LEU A 404
 None
 1.11A 3hj3A-6az0A:
undetectable		 3hj3A-6az0A:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b0t FASCIN

(Homo sapiens) 		no annotation 5 ALA A 242
LEU A 196
SER A 187
ILE A 144
LEU A 179
 None
 1.04A 3hj3A-6b0tA:
undetectable		 3hj3A-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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 9 ALA A   8
ASP A  28
LEU A  29
PHE A  32
THR A  47
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 (-4.7A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.92A 3hj3A-6cxmA:
20.4		 3hj3A-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.
6dd6 PHOTOLYASE PHRB

(Agrobacterium
tumefaciens) 		no annotation 5 ALA A 380
PHE A 456
SER A 427
THR A 346
TYR A 341
 None
SF4  A 603 ( 4.9A)
None
None
None
 1.16A 3hj3A-6dd6A:
2.8		 3hj3A-6dd6A:
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 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
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 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.75A 3hj3A-6e4eA:
22.3		 3hj3A-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
 1.12A 3hj3A-6ej2A:
undetectable		 3hj3A-6ej2A:
9.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5

(Mus musculus) 		no annotation 5 ALA L 219
LEU L 260
THR L 276
ILE L 273
LEU L 210
 None
 1.15A 3hj3A-6g2jL:
undetectable		 3hj3A-6g2jL:
9.60