SIMILAR PATTERNS OF AMINO ACIDS FOR 3DAU_A_MTXA201

List of similar pattern of amino acids derived from ASSAM search

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

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

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		5 ALA A   8
ASP A  27
ILE A  51
LEU A  55
ARG A  58
 None
 0.49A 3dauA-1cz3A:
20.0		 3dauA-1cz3A:
29.05
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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		5 ALA A   8
ILE A  51
ARG A  53
LEU A  55
ARG A  58
 None
 0.85A 3dauA-1cz3A:
20.0		 3dauA-1cz3A:
29.05
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.
1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT

(Escherichia
coli) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		5 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.93A 3dauA-1ddgA:
undetectable		 3dauA-1ddgA:
19.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		6 ILE A   7
ALA A   9
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
None
None
None
None
 0.62A 3dauA-1dr6A:
20.8		 3dauA-1dr6A:
33.69
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.
1e19 CARBAMATE KINASE

(Pyrococcus
furiosus) 		PF00696
(AA_kinase) 		5 ILE A 233
ASP A 214
LEU A 217
ALA A 218
ILE A 282
 None
 1.09A 3dauA-1e19A:
undetectable		 3dauA-1e19A:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1htq GLUTAMINE SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 ALA A 111
LEU A 369
ALA A 370
ILE A 439
LEU A 421
 None
 0.99A 3dauA-1htqA:
undetectable		 3dauA-1htqA:
14.26
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 ASP A  36
LEU A  37
LYS A  41
LEU A  63
ARG A  66
 None
 1.05A 3dauA-1juvA:
18.2		 3dauA-1juvA:
27.22
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.
1nbw GLYCEROL DEHYDRATASE
REACTIVASE ALPHA
SUBUNIT

(Klebsiella
pneumoniae) 		PF08841
(DDR) 		5 ILE A 286
ALA A 289
ILE A 331
ARG A 315
LEU A 311
 None
 1.10A 3dauA-1nbwA:
undetectable		 3dauA-1nbwA:
16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5d P450 EPOXIDASE

(Sorangium
cellulosum) 		PF00067
(p450) 		5 ILE A 252
ALA A 254
LEU A 247
ALA A 246
LEU A 226
 None
HEM  A 440 (-3.4A)
None
None
None
 1.01A 3dauA-1q5dA:
undetectable		 3dauA-1q5dA:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rkq HYPOTHETICAL PROTEIN
YIDA

(Escherichia
coli) 		PF08282
(Hydrolase_3) 		5 ILE A   7
ALA A 264
ALA A  32
ILE A  22
LEU A  58
 None
 1.04A 3dauA-1rkqA:
undetectable		 3dauA-1rkqA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s3d ARSENATE REDUCTASE

(Escherichia
coli) 		PF03960
(ArsC) 		5 ILE A  53
LEU A  59
ALA A  60
ILE A  82
LEU A  44
 None
 0.99A 3dauA-1s3dA:
undetectable		 3dauA-1s3dA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sny SNIFFER CG10964-PA

(Drosophila
melanogaster) 		PF00106
(adh_short) 		5 LEU A 177
ALA A 176
ILE A 149
LEU A 184
TYR A  68
 None
 0.82A 3dauA-1snyA:
undetectable		 3dauA-1snyA:
19.70
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.
1u2x ADP-SPECIFIC
PHOSPHOFRUCTOKINASE

(Pyrococcus
horikoshii) 		PF04587
(ADP_PFK_GK) 		5 ILE A 122
ALA A 120
LEU A 127
ALA A 128
LEU A 387
 None
 1.13A 3dauA-1u2xA:
undetectable		 3dauA-1u2xA:
15.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		6 ILE A   7
ALA A   9
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
 0.50A 3dauA-1u70A:
20.7		 3dauA-1u70A:
33.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		6 ILE A   7
ALA A   9
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 ( 4.7A)
None
None
None
 0.53A 3dauA-1u71A:
20.6		 3dauA-1u71A:
32.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uf2 CORE PROTEIN P3

(Rice dwarf
virus) 		PF09231
(RDV-p3) 		5 ILE A 541
ALA A 361
ALA A 613
ILE A 654
LEU A1010
 None
 1.06A 3dauA-1uf2A:
undetectable		 3dauA-1uf2A:
10.76
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.
1vko INOSITOL-3-PHOSPHATE
SYNTHASE

(Caenorhabditis
elegans) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		5 ILE A 136
LEU A 500
ALA A 501
ILE A 466
LEU A 493
 None
 1.03A 3dauA-1vkoA:
undetectable		 3dauA-1vkoA:
15.58
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.
1yzg ADP-RIBOSYLATION
FACTOR-LIKE 8

(Homo sapiens) 		PF00025
(Arf) 		5 ILE A  67
LEU A  99
ALA A 100
LYS A 103
ILE A 122
 None
 1.03A 3dauA-1yzgA:
undetectable		 3dauA-1yzgA:
21.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
ASP A  27
ALA A  29
LYS A  32
ILE A  50
LEU A  54
ARG A  57
 None
None
None
None
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.57A 3dauA-1zdrA:
25.3		 3dauA-1zdrA:
40.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
ASP A  27
LEU A  28
ALA A  29
LYS A  32
LEU A  54
ARG A  57
 None
None
None
SO4  A3486 ( 4.8A)
None
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.51A 3dauA-1zdrA:
25.3		 3dauA-1zdrA:
40.49
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		6 ILE A  13
ALA A  15
ASP A  53
ILE A 121
LEU A 128
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
 0.70A 3dauA-2blbA:
20.5		 3dauA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		6 ILE A  13
ALA A  15
ASP A  53
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.37A 3dauA-2blbA:
20.5		 3dauA-2blbA:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca) 		PF08841
(DDR) 		5 ILE A 284
ALA A 287
ILE A 329
ARG A 313
LEU A 309
 None
 1.13A 3dauA-2d0oA:
undetectable		 3dauA-2d0oA:
15.17
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.
2g3b PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N)
PF13977
(TetR_C_6) 		5 ILE A  58
ALA A  11
ILE A  21
ARG A  47
LEU A  51
 None
 1.09A 3dauA-2g3bA:
undetectable		 3dauA-2g3bA:
23.50
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  28
ASP A  48
ILE A  84
LEU A  91
ARG A  94
TYR A 160
 NAP  A 523 (-3.7A)
None
None
None
None
None
 0.63A 3dauA-2h2qA:
20.0		 3dauA-2h2qA:
19.05
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.
2jgz CELL DIVISION
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 275
ALA A 183
LEU A 115
ALA A 116
LEU A 108
 None
 1.11A 3dauA-2jgzA:
undetectable		 3dauA-2jgzA:
18.40
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.
2k77 NEGATIVE REGULATOR
OF GENETIC
COMPETENCE CLPC/MECB

(Bacillus
subtilis) 		PF02861
(Clp_N) 		5 ILE A  60
LEU A  53
ALA A  52
ILE A 113
LEU A 109
 None
 1.06A 3dauA-2k77A:
undetectable		 3dauA-2k77A:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ogv MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR
PRECURSOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ILE A 794
ASP A 837
ALA A 770
ILE A 636
LEU A 640
 None
 1.10A 3dauA-2ogvA:
undetectable		 3dauA-2ogvA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
ASP A  32
LEU A  33
ILE A  62
LEU A  67
ARG A  70
TYR A 119
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
 0.56A 3dauA-2oipA:
21.4		 3dauA-2oipA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qgq PROTEIN TM_1862

(Thermotoga
maritima) 		PF04055
(Radical_SAM) 		5 ALA A 191
LEU A 207
ALA A 206
ILE A 223
LEU A 214
 None
 1.11A 3dauA-2qgqA:
undetectable		 3dauA-2qgqA:
18.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		6 ALA A   8
LEU A  29
ILE A  51
ARG A  53
LEU A  55
ARG A  58
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 3.5A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
 0.83A 3dauA-2qk8A:
25.5		 3dauA-2qk8A:
40.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		7 ALA A   8
LEU A  29
LYS A  33
ILE A  51
LEU A  55
ARG A  58
TYR A 102
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
 0.58A 3dauA-2qk8A:
25.5		 3dauA-2qk8A:
40.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		5 ALA A  11
ASP A  31
LEU A  32
ARG A  64
TYR A 108
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
VG9  A1168 ( 3.7A)
None
 0.57A 3dauA-2w3wA:
24.7		 3dauA-2w3wA:
34.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		5 ALA A  11
ASP A  31
LEU A  32
LEU A  61
TYR A 108
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
VG9  A1168 ( 4.4A)
None
 0.52A 3dauA-2w3wA:
24.7		 3dauA-2w3wA:
34.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
None
 0.43A 3dauA-2w9sA:
26.0		 3dauA-2w9sA:
38.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
None
 0.55A 3dauA-2w9sA:
26.0		 3dauA-2w9sA:
38.51
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.
2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 ILE A  56
ALA A 222
ALA A 190
ILE A 117
LEU A 113
 None
 0.97A 3dauA-2wyaA:
undetectable		 3dauA-2wyaA:
15.49
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.
2xl4 LMO0438 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 ILE A 118
LEU A  64
ALA A  65
LYS A  68
LEU A 191
 None
 0.83A 3dauA-2xl4A:
undetectable		 3dauA-2xl4A:
18.08
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.
3bcq BETA-CHAIN
HEMOGLOBIN

(Brycon cephalus) 		PF00042
(Globin) 		5 ILE B  75
LEU B  14
ALA B  10
ILE B 110
LEU B 135
 None
 1.03A 3dauA-3bcqB:
undetectable		 3dauA-3bcqB:
21.64
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.
3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 ILE A 740
ALA A 702
MET A 686
LEU A 726
ILE A 905
 None
 1.06A 3dauA-3bg9A:
undetectable		 3dauA-3bg9A:
12.26
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.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 ILE A 551
ALA A 851
LEU A 837
ALA A 838
LEU A 522
 None
 1.11A 3dauA-3c10A:
undetectable		 3dauA-3c10A:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
ASP A  26
LEU A  27
LEU A  54
ARG A  57
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
 0.41A 3dauA-3dfrA:
24.6		 3dauA-3dfrA:
29.27
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ILE A  14
ALA A  16
ASP A  54
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
 0.57A 3dauA-3dg8A:
20.5		 3dauA-3dg8A:
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.
3fhc NUCLEAR PORE COMPLEX
PROTEIN NUP214

(Homo sapiens) 		PF12894
(ANAPC4_WD40) 		5 ALA A 121
MET A  91
LEU A  98
ALA A  99
ILE A  61
 None
 0.89A 3dauA-3fhcA:
undetectable		 3dauA-3fhcA:
14.81
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.
3h08 RNH (RIBONUCLEASE H)

(Chlorobaculum
tepidum) 		PF00075
(RNase_H) 		5 ILE A  35
ALA A 134
ALA A  52
ILE A   5
LEU A  59
 None
 1.02A 3dauA-3h08A:
undetectable		 3dauA-3h08A:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hn8 SYNAPTOTAGMIN-3

(Rattus
norvegicus) 		PF00168
(C2) 		5 ILE A 450
ALA A 453
ALA A 517
LYS A 470
ILE A 487
 None
 0.99A 3dauA-3hn8A:
undetectable		 3dauA-3hn8A:
17.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
ASP X  27
LEU X  28
ILE X  50
LEU X  54
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
N22  X 219 (-4.6A)
None
None
None
 0.65A 3dauA-3i8aX:
26.2		 3dauA-3i8aX:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
ASP X  27
LYS X  32
ILE X  50
LEU X  54
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
None
N22  X 219 (-4.6A)
None
None
None
 0.63A 3dauA-3i8aX:
26.2		 3dauA-3i8aX:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		9 ILE A   6
ALA A   8
MET A  21
LEU A  29
LYS A  33
ILE A  51
LEU A  55
ARG A  58
TYR A 102
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-3.3A)
MTX  A 164 (-4.0A)
MTX  A 164 (-3.2A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
None
 0.50A 3dauA-3ia4A:
28.5		 3dauA-3ia4A:
55.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		5 ILE A   6
LEU A  29
ARG A  53
LEU A  55
ARG A  58
 MTX  A 164 (-4.0A)
MTX  A 164 (-4.0A)
MTX  A 164 (-3.8A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
 0.83A 3dauA-3ia4A:
28.5		 3dauA-3ia4A:
55.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		6 ILE A   8
ALA A  10
LEU A  31
LYS A  35
LEU A  58
ARG A  61
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.1A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
 0.51A 3dauA-3ix9A:
25.4		 3dauA-3ix9A:
35.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jvv TWITCHING MOBILITY
PROTEIN

(Pseudomonas
aeruginosa) 		PF00437
(T2SSE) 		5 ILE A  51
ALA A  49
LEU A  42
ALA A  22
LEU A  18
 None
 1.12A 3dauA-3jvvA:
undetectable		 3dauA-3jvvA:
15.91
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
ASP A  37
ILE A  73
LEU A  80
TYR A 129
 NAP  A 512 (-3.7A)
None
None
None
None
 0.70A 3dauA-3kjrA:
21.0		 3dauA-3kjrA:
16.49
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
ASP A  37
LEU A  80
ARG A  83
TYR A 129
 NAP  A 512 (-3.7A)
None
None
None
None
 0.39A 3dauA-3kjrA:
21.0		 3dauA-3kjrA:
16.49
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.
3ll1 GRIFFITHSIN

(Griffithsia sp.
Q66D336) 		PF01419
(Jacalin) 		5 ILE A  21
LEU A  29
ALA A  31
ILE A  63
LEU A 114
 None
 1.09A 3dauA-3ll1A:
undetectable		 3dauA-3ll1A:
18.67
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.
3p2f AHL SYNTHASE

(Burkholderia
glumae) 		PF00765
(Autoind_synth) 		5 ALA A 107
MET A 149
LEU A 126
ALA A 127
LEU A  70
 None
 1.09A 3dauA-3p2fA:
undetectable		 3dauA-3p2fA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pbi INVASION PROTEIN

(Mycobacterium
tuberculosis) 		PF00877
(NLPC_P60) 		5 ALA A  46
ASP A 151
ALA A 214
ILE A 167
LEU A 191
 None
 1.04A 3dauA-3pbiA:
undetectable		 3dauA-3pbiA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 ILE A 287
LEU A 235
ALA A 236
ILE A  98
LEU A  95
 None
 1.10A 3dauA-3qakA:
undetectable		 3dauA-3qakA:
15.91
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 ALA A  34
ASP A  54
LEU A  97
ARG A 100
TYR A 166
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
None
None
None
 0.33A 3dauA-3rg9A:
20.0		 3dauA-3rg9A:
27.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		9 ILE A   6
ALA A   8
ASP A  28
LEU A  29
ALA A  30
LYS A  33
ILE A  51
LEU A  55
ARG A  58
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
MTX  A2001 ( 4.8A)
None
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
 0.35A 3dauA-3tq9A:
25.5		 3dauA-3tq9A:
43.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		5 ILE A  94
LYS A  33
ILE A  51
LEU A  55
ARG A  58
 None
None
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
 1.09A 3dauA-3tq9A:
25.5		 3dauA-3tq9A:
43.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uhj PROBABLE GLYCEROL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00465
(Fe-ADH) 		5 ILE A 280
ALA A 350
LEU A 377
ALA A 378
ILE A 338
 None
 0.95A 3dauA-3uhjA:
undetectable		 3dauA-3uhjA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ASP A  54
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-2.9A)
1CY  A 609 (-4.4A)
None
None
None
 0.83A 3dauA-3um6A:
20.8		 3dauA-3um6A:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A  14
ASP A  54
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
None
None
 0.32A 3dauA-3um6A:
20.8		 3dauA-3um6A:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		6 ALA A   8
ASP A  28
ILE A  57
LEU A  64
ARG A  67
TYR A 117
 None
 0.65A 3dauA-3vcoA:
18.7		 3dauA-3vcoA:
29.35
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		6 ALA A   8
ASP A  28
LYS A  33
ILE A  57
LEU A  64
TYR A 117
 None
 0.95A 3dauA-3vcoA:
18.7		 3dauA-3vcoA:
29.35
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.
4cih LISTERIA NUCLEAR
TARGETED PROTEIN A

(Listeria
monocytogenes) 		no annotation 5 ILE A 118
LEU A  64
ALA A  65
LYS A  68
LEU A 191
 None
 0.90A 3dauA-4cihA:
undetectable		 3dauA-4cihA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d1i BETA-GALACTOSIDASE,
PUTATIVE, BGL35A

(Cellvibrio
japonicus) 		PF02449
(Glyco_hydro_42) 		5 ALA A 348
ASP A 322
LEU A 284
ALA A 283
LEU A 306
 None
 1.13A 3dauA-4d1iA:
undetectable		 3dauA-4d1iA:
15.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d7e L-LYS MONOOXYGENASE

(Nocardia
farcinica) 		PF13434
(K_oxygenase) 		5 ILE A 140
LEU A 380
ALA A 382
ILE A 367
LEU A 386
 None
 1.03A 3dauA-4d7eA:
undetectable		 3dauA-4d7eA:
18.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ed9 CAIB/BAIF FAMILY
PROTEIN

(Brucella suis) 		PF02515
(CoA_transf_3) 		5 ILE A 268
LEU A 290
ALA A 289
ILE A 251
LEU A 242
 None
 1.03A 3dauA-4ed9A:
undetectable		 3dauA-4ed9A:
16.58
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.
4f3p GLUTAMINE-BINDING
PERIPLASMIC PROTEIN

(Burkholderia
pseudomallei) 		PF00497
(SBP_bac_3) 		5 ILE A 162
ASP A 180
LEU A 113
ALA A 114
ILE A 144
 None
 1.05A 3dauA-4f3pA:
undetectable		 3dauA-4f3pA:
20.72
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.
4fd2 CHAPERONE PROTEIN
CLPB

(Thermus
thermophilus) 		PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 ILE A 704
MET A 624
ALA A 655
ILE A 679
LEU A 689
 None
 1.12A 3dauA-4fd2A:
undetectable		 3dauA-4fd2A:
16.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		6 ILE X  10
ALA X  12
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.3A)
None
None
None
 0.57A 3dauA-4g8zX:
20.7		 3dauA-4g8zX:
30.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gb5 UNCHARACTERIZED
PROTEIN

(Kribbella
flavida) 		PF13577
(SnoaL_4) 		5 ALA A  18
ASP A  22
ALA A  71
LEU A 113
TYR A 118
 None
 0.99A 3dauA-4gb5A:
undetectable		 3dauA-4gb5A:
23.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		8 ILE A   9
ALA A  11
MET A  25
LYS A  37
ILE A  62
LEU A  69
ARG A  72
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
NDP  A 201 (-3.9A)
None
14Q  A 202 ( 4.8A)
None
None
None
 0.75A 3dauA-4h96A:
18.1		 3dauA-4h96A:
32.31
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		6 ILE A   9
ALA A  11
ILE A  62
LEU A  69
ARG A  72
TYR A 127
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-4.2A)
None
None
None
 0.41A 3dauA-4h98A:
19.2		 3dauA-4h98A:
27.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
ASP A  27
ALA A  29
LEU A  57
ARG A  60
TYR A 100
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
None
None
None
None
 0.41A 3dauA-4m2xA:
23.1		 3dauA-4m2xA:
35.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LEU A  55
ARG A  58
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
 0.56A 3dauA-4m7vA:
24.7		 3dauA-4m7vA:
37.71
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.
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ILE A 367
ALA A 182
LEU A 248
ILE A 442
LEU A 374
 None
 1.13A 3dauA-4na3A:
undetectable		 3dauA-4na3A:
13.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		9 ILE A   5
ALA A   7
MET A  20
ASP A  27
ALA A  29
LYS A  32
ILE A  50
ARG A  57
TYR A 100
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.6A)
MTX  A 201 (-3.0A)
None
MTX  A 201 ( 3.9A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
None
 0.50A 3dauA-4p68A:
30.2		 3dauA-4p68A:
98.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qtq XAC2610 PROTEIN

(Xanthomonas
citri) 		no annotation 5 ILE A  97
LEU A 123
ALA A 122
ILE A  74
LEU A  68
 None
 1.13A 3dauA-4qtqA:
undetectable		 3dauA-4qtqA:
24.27
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.
4s17 GLUTAMINE SYNTHETASE

(Bifidobacterium
adolescentis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 ALA A 116
LEU A 379
ALA A 380
ILE A 449
LEU A 431
 None
 0.90A 3dauA-4s17A:
undetectable		 3dauA-4s17A:
15.82
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.
4z37 PUTATIVE MIXED
POLYKETIDE
SYNTHASE/NON-RIBOSOM
AL PEPTIDE
SYNTHETASE

(Brevibacillus
brevis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ILE A2678
ALA A2502
LEU A2568
ILE A2756
LEU A2685
 None
 1.08A 3dauA-4z37A:
undetectable		 3dauA-4z37A:
12.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ch6 FRIGIDA

(Vitis vinifera) 		PF07899
(Frigida) 		5 ILE A 232
LEU A 188
ALA A 185
ILE A 267
LEU A 239
 None
 0.99A 3dauA-5ch6A:
undetectable		 3dauA-5ch6A:
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.
5czl GLUCANASE

(Raoultella
ornithinolytica) 		PF01270
(Glyco_hydro_8) 		5 ALA A  11
LEU A  46
ALA A  49
ILE A  26
LEU A  59
 None
 1.02A 3dauA-5czlA:
undetectable		 3dauA-5czlA:
18.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
ALA A  46
ILE A  67
LEU A  71
ARG A  74
TYR A 117
 None
NAP  A 201 (-3.7A)
EDO  A 203 (-3.6A)
PEG  A 202 ( 4.9A)
None
None
None
 0.59A 3dauA-5dxvA:
17.5		 3dauA-5dxvA:
69.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ILE A   5
LEU A  45
ALA A  46
ILE A  67
LEU A  71
ARG A  74
TYR A 117
 None
PEG  A 202 (-4.2A)
EDO  A 203 (-3.6A)
PEG  A 202 ( 4.9A)
None
None
None
 0.90A 3dauA-5dxvA:
17.5		 3dauA-5dxvA:
69.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5erb POLYKETIDE SYNTHASE

(Bacillus
amyloliquefaciens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ILE A 365
ALA A 189
LEU A 255
ILE A 443
LEU A 372
 None
 1.13A 3dauA-5erbA:
undetectable		 3dauA-5erbA:
12.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		5 ILE A   6
ALA A   8
ILE A  51
LEU A  55
TYR A 101
 None
 0.59A 3dauA-5fdaA:
19.8		 3dauA-5fdaA:
80.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5grn PLATELET-DERIVED
GROWTH FACTOR
RECEPTOR ALPHA

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ILE A 834
ASP A 877
ALA A 810
ILE A 647
LEU A 651
 748  A1001 (-4.8A)
None
None
748  A1001 ( 4.0A)
None
 1.06A 3dauA-5grnA:
undetectable		 3dauA-5grnA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gy3 GLUCANASE

(Klebsiella
pneumoniae) 		PF01270
(Glyco_hydro_8) 		5 ALA A  26
LEU A  61
ALA A  64
ILE A  41
LEU A  74
 None
 1.03A 3dauA-5gy3A:
undetectable		 3dauA-5gy3A:
20.00
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.
5h78 CAMP-DEPENDENT
PROTEIN KINASE TYPE
II-ALPHA REGULATORY
SUBUNIT,DHR14

(Homo sapiens;
synthetic
construct) 		PF02197
(RIIa) 		5 ALA A  92
LEU A 131
ALA A 132
ILE A 105
LEU A 143
 None
 1.05A 3dauA-5h78A:
undetectable		 3dauA-5h78A:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5imu TAT (TWIN-ARGININE
TRANSLOCATION)
PATHWAY SIGNAL
SEQUENCE CONTAINING
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 5 ILE A 238
ALA A 297
LEU A 228
ALA A 218
TYR A 391
 None
 1.11A 3dauA-5imuA:
undetectable		 3dauA-5imuA:
23.77
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.
5k3h ACYL-COENZYME A
OXIDASE

(Caenorhabditis
elegans) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		5 ILE A 304
ALA A 351
LEU A 615
ILE A 312
LEU A 625
 None
 1.03A 3dauA-5k3hA:
undetectable		 3dauA-5k3hA:
14.40
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.
5nof ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Thermococcus
kodakarensis) 		no annotation 5 ILE A 171
ALA A  56
LEU A  21
ILE A  33
LEU A  37
 None
 1.12A 3dauA-5nofA:
undetectable		 3dauA-5nofA:
22.73
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  10
ASP A  31
LEU A  94
ARG A  97
TYR A 157
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
None
None
None
 0.37A 3dauA-5t0lA:
21.2		 3dauA-5t0lA:
13.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 8 ILE A   6
ALA A   8
ASP A  28
ALA A  30
LYS A  33
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
None
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.54A 3dauA-6cxmA:
21.7		 3dauA-6cxmA:
30.00
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ILE A   6
ALA A   8
ASP A  28
LEU A  29
ALA A  30
LEU A  58
ARG A  61
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
None
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
 0.81A 3dauA-6cxmA:
21.7		 3dauA-6cxmA:
30.00
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.
6e4e -

(-) 		no annotation 6 ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.54A 3dauA-6e4eA:
26.0		 3dauA-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.
6g4q SUCCINATE--COA
LIGASE [ADP-FORMING]
SUBUNIT BETA,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 ILE B 427
LEU B 419
ALA B 418
ILE B 387
LEU B 408
 None
 1.07A 3dauA-6g4qB:
undetectable		 3dauA-6g4qB:
20.41