SIMILAR PATTERNS OF AMINO ACIDS FOR 1DG5_A_TOPA201_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.
1ck7 PROTEIN (GELATINASE
A)

(Homo sapiens) 		PF00040
(fn2)
PF00045
(Hemopexin)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		5 ILE A 473
ALA A 635
PHE A 475
PRO A 499
ILE A 468
 None
 1.12A 1dg5A-1ck7A:
undetectable		 1dg5A-1ck7A:
12.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dj3 ADENYLOSUCCINATE
SYNTHETASE

(Triticum
aestivum) 		PF00709
(Adenylsucc_synt) 		5 ALA A 262
ILE A 276
SER A  18
LEU A  17
ILE A 280
 None
 1.13A 1dg5A-1dj3A:
2.5		 1dg5A-1dj3A:
17.16
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
PHE A  34
SER A  59
PRO A  61
TYR A 121
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
HBI  A 198 (-4.1A)
NAP  A 191 ( 4.1A)
None
None
 0.68A 1dg5A-1dr6A:
20.8		 1dg5A-1dr6A:
31.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1egz ENDOGLUCANASE Z

(Dickeya
chrysanthemi) 		PF00150
(Cellulase) 		5 ILE A 163
ALA A 147
ILE A 143
SER A 171
ILE A 164
 None
 1.17A 1dg5A-1egzA:
undetectable		 1dg5A-1egzA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1epv ALANINE RACEMASE

(Geobacillus
stearothermophilus) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ILE A  34
ALA A  54
ILE A  17
PHE A 220
LEU A 241
 None
 0.94A 1dg5A-1epvA:
undetectable		 1dg5A-1epvA:
17.10
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 ASP A  36
PHE A  40
LEU A  59
PRO A  60
ILE A 127
 None
 0.52A 1dg5A-1juvA:
16.6		 1dg5A-1juvA:
27.78
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 ASP A  36
SER A  58
LEU A  59
PRO A  60
ILE A 127
 None
NDP  A 194 ( 3.9A)
None
None
None
 0.77A 1dg5A-1juvA:
16.6		 1dg5A-1juvA:
27.78
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
PHE A  34
SER A  59
PRO A  61
TYR A 121
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
NDP  A 188 ( 3.8A)
MTX  A 187 (-4.8A)
None
 0.70A 1dg5A-1u70A:
20.7		 1dg5A-1u70A:
32.45
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
PHE A  34
SER A  59
PRO A  61
TYR A 121
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
MXA  A 187 (-3.8A)
MXA  A 187 (-4.4A)
None
 0.62A 1dg5A-1u71A:
21.1		 1dg5A-1u71A:
31.58
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.
1uus STAT PROTEIN

(Dictyostelium
discoideum) 		PF00017
(SH2)
PF09267
(Dict-STAT-coil) 		5 ALA A 475
ILE A 409
PHE A 371
LEU A 424
PRO A 423
 None
 1.13A 1dg5A-1uusA:
undetectable		 1dg5A-1uusA:
15.01
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.
1xq1 PUTATIVE TROPINONE
REDUCATSE

(Arabidopsis
thaliana) 		PF13561
(adh_short_C2) 		5 ILE A 147
ALA A 189
ILE A 187
SER A 141
LEU A  93
 None
 1.20A 1dg5A-1xq1A:
2.1		 1dg5A-1xq1A:
19.62
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.
1yz6 PROBABLE TRANSLATION
INITIATION FACTOR 2
ALPHA SUBUNIT

(Pyrococcus
abyssi) 		PF00575
(S1)
PF07541
(EIF_2_alpha) 		5 ALA A 198
ILE A 251
PHE A 216
LEU A 260
ILE A 243
 None
 1.06A 1dg5A-1yz6A:
undetectable		 1dg5A-1yz6A:
22.02
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) 		5 ILE A   5
ALA A   7
ASP A  27
PHE A  31
ILE A  96
 None
None
None
SO4  A3486 (-4.1A)
None
 0.54A 1dg5A-1zdrA:
22.6		 1dg5A-1zdrA:
34.73
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.
1zfj INOSINE
MONOPHOSPHATE
DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ALA A 113
ILE A 127
LEU A 200
PRO A 189
ILE A 122
 None
 1.16A 1dg5A-1zfjA:
undetectable		 1dg5A-1zfjA:
16.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b4w HYPOTHETICAL
PROTEIN, CONSERVED

(Leishmania
major) 		PF08950
(DUF1861) 		5 ILE A 175
PHE A 125
LEU A 145
ILE A  94
TYR A  85
 None
 1.04A 1dg5A-2b4wA:
undetectable		 1dg5A-2b4wA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ILE A  13
ALA A  15
ASP A  53
PHE A  57
SER A 120
ILE A 173
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
CP7  A1240 ( 3.8A)
None
 0.62A 1dg5A-2blbA:
19.5		 1dg5A-2blbA:
24.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ILE A  13
ALA A  15
PHE A  57
SER A 120
PRO A 122
ILE A 173
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
None
CP7  A1240 ( 3.8A)
None
 0.65A 1dg5A-2blbA:
19.5		 1dg5A-2blbA:
24.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ckr ENDOGLUCANASE E-5

(Thermobifida
fusca) 		PF00150
(Cellulase) 		5 ILE A 292
ALA A 276
ILE A 272
SER A 300
ILE A 293
 None
 1.20A 1dg5A-2ckrA:
undetectable		 1dg5A-2ckrA:
20.26
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.
2eb1 ENDORIBONUCLEASE
DICER

(Homo sapiens) 		PF00636
(Ribonuclease_3) 		5 ALA A  91
ILE A 153
LEU A  25
ILE A  15
TYR A 176
 None
 1.11A 1dg5A-2eb1A:
undetectable		 1dg5A-2eb1A:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ft3 BIGLYCAN

(Bos taurus) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		5 ILE A 135
ILE A  93
LEU A 121
PRO A 122
ILE A 117
 None
 1.10A 1dg5A-2ft3A:
undetectable		 1dg5A-2ft3A:
19.67
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
ILE A  41
ASP A  48
PHE A  52
SER A  83
ILE A 154
TYR A 160
 NAP  A 523 (-3.7A)
NAP  A 523 (-4.4A)
None
None
NAP  A 523 ( 4.4A)
None
None
 0.80A 1dg5A-2h2qA:
19.9		 1dg5A-2h2qA:
19.85
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
ILE A  41
PHE A  52
SER A  83
PRO A  85
ILE A 154
TYR A 160
 NAP  A 523 (-3.7A)
NAP  A 523 (-4.4A)
None
NAP  A 523 ( 4.4A)
None
None
None
 0.78A 1dg5A-2h2qA:
19.9		 1dg5A-2h2qA:
19.85
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  11
ASP A  32
PHE A  36
SER A  61
TYR A 119
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 4.5A)
None
 0.73A 1dg5A-2oipA:
21.1		 1dg5A-2oipA:
17.45
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.
2oy4 NEUTROPHIL
COLLAGENASE

(Homo sapiens) 		PF00413
(Peptidase_M10) 		5 ILE A 138
ALA A 163
PHE A 199
LEU A 191
ILE A 140
 None
 1.05A 1dg5A-2oy4A:
undetectable		 1dg5A-2oy4A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vd9 ALANINE RACEMASE

(Bacillus
anthracis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ILE A  36
ALA A  56
ILE A  19
LEU A 246
ILE A  26
 None
None
None
MLY  A 245 ( 4.1A)
MLY  A  27 ( 3.7A)
 0.86A 1dg5A-2vd9A:
undetectable		 1dg5A-2vd9A:
17.22
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.
2vxr BOTULINUM NEUROTOXIN
TYPE G

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 ILE A1069
ALA A 869
PHE A1067
SER A1011
ILE A 935
 None
 1.19A 1dg5A-2vxrA:
undetectable		 1dg5A-2vxrA:
13.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 TRP A  10
ALA A  11
ASP A  31
LEU A  61
ILE A 102
TYR A 108
 None
VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
 1.41A 1dg5A-2w3wA:
28.7		 1dg5A-2w3wA:
68.86
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) 		10 TRP A  10
ALA A  11
ILE A  24
ASP A  31
PHE A  35
SER A  53
LEU A  54
PRO A  55
ILE A 102
TYR A 108
 None
VG9  A1168 ( 3.8A)
NDP  A1169 ( 4.4A)
VG9  A1168 (-3.0A)
VG9  A1168 (-3.9A)
NDP  A1169 ( 3.9A)
None
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.2A)
None
 0.63A 1dg5A-2w3wA:
28.7		 1dg5A-2w3wA:
68.86
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) 		5 ILE A   5
ALA A   7
ASP A  27
SER A  49
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
None
 0.54A 1dg5A-2w9sA:
23.3		 1dg5A-2w9sA:
32.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yrn NEURON NAVIGATOR 2
ISOFORM 4

(Homo sapiens) 		PF00307
(CH) 		5 ILE A  65
ILE A  96
PHE A  88
SER A 118
ILE A  57
 None
 1.08A 1dg5A-2yrnA:
undetectable		 1dg5A-2yrnA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c4b ENDORIBONUCLEASE
DICER

(Mus musculus) 		PF00636
(Ribonuclease_3) 		5 ALA A1733
ILE A1795
LEU A1667
ILE A1657
TYR A1818
 None
 1.05A 1dg5A-3c4bA:
undetectable		 1dg5A-3c4bA:
21.07
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.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT

(Methanosarcina
barkeri) 		PF03063
(Prismane) 		5 ILE A 546
ALA A 582
ILE A 584
PHE A 576
ILE A 517
 None
 1.10A 1dg5A-3cf4A:
undetectable		 1dg5A-3cf4A:
12.85
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.
3d1c FLAVIN-CONTAINING
PUTATIVE
MONOOXYGENASE

(Staphylococcus
aureus) 		PF13738
(Pyr_redox_3) 		5 ILE A 157
ALA A 180
PHE A 163
PRO A 260
ILE A 152
 SO4  A 370 (-4.7A)
None
SO4  A 370 ( 4.3A)
None
None
 1.07A 1dg5A-3d1cA:
undetectable		 1dg5A-3d1cA:
20.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 TRP A   5
ALA A   6
ASP A  26
PHE A  30
PRO A  50
 None
MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.0A)
MTX  A 164 ( 4.6A)
 0.88A 1dg5A-3dfrA:
22.1		 1dg5A-3dfrA:
34.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 TRP A   5
ALA A   6
ASP A  26
SER A  48
PRO A  50
 None
MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.6A)
 0.65A 1dg5A-3dfrA:
22.1		 1dg5A-3dfrA:
34.88
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ILE A  14
ALA A  16
ASP A  54
PHE A  58
SER A 111
PRO A 113
TYR A 170
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.3A)
RJ6  A 609 ( 3.8A)
None
NDP  A 610 ( 4.9A)
 0.67A 1dg5A-3dg8A:
19.7		 1dg5A-3dg8A:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eya PYRUVATE
DEHYDROGENASE
[CYTOCHROME]

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ILE A 455
ALA A 411
ASP A 379
LEU A 362
PRO A 359
 None
 1.19A 1dg5A-3eyaA:
undetectable		 1dg5A-3eyaA:
14.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fiu NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Francisella
tularensis) 		PF02540
(NAD_synthase) 		5 ILE A 187
ILE A  34
LEU A 166
PRO A 165
ILE A  40
 None
None
None
None
POP  A4001 (-4.9A)
 1.07A 1dg5A-3fiuA:
undetectable		 1dg5A-3fiuA:
20.40
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.
3gem SHORT CHAIN
DEHYDROGENASE

(Pseudomonas
savastanoi) 		PF13561
(adh_short_C2) 		5 ILE A  64
ALA A  66
PHE A  58
LEU A   9
ILE A 114
 None
 1.14A 1dg5A-3gemA:
2.4		 1dg5A-3gemA:
21.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		6 ILE A   6
ALA A   8
PHE A  32
SER A  50
ILE A  96
TYR A 102
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.1A)
NDP  A 163 ( 3.8A)
MTX  A 164 ( 4.2A)
None
 0.32A 1dg5A-3ia4A:
23.3		 1dg5A-3ia4A:
36.53
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.
3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE

(Aspergillus
parasiticus) 		PF00975
(Thioesterase) 		5 ALA A2086
SER A1883
LEU A1884
PRO A1885
ILE A1963
 None
 0.89A 1dg5A-3ilsA:
undetectable		 1dg5A-3ilsA:
21.51
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.
3k2b GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
A, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ILE A 144
ALA A 134
LEU A  25
PRO A  24
ILE A 117
 None
 1.08A 1dg5A-3k2bA:
undetectable		 1dg5A-3k2bA:
16.67
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.
3k9d ALDEHYDE
DEHYDROGENASE

(Listeria
monocytogenes) 		PF00171
(Aldedh) 		5 ILE A 172
ILE A  36
LEU A 439
PRO A 436
ILE A 139
 None
 1.18A 1dg5A-3k9dA:
undetectable		 1dg5A-3k9dA:
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
ILE A  29
ASP A  37
SER A  72
TYR A 129
 NAP  A 512 (-3.7A)
NAP  A 512 (-4.5A)
None
NAP  A 512 ( 4.2A)
None
 0.74A 1dg5A-3kjrA:
20.4		 1dg5A-3kjrA:
15.40
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
ILE A  29
SER A  72
PRO A  74
TYR A 129
 NAP  A 512 (-3.7A)
NAP  A 512 (-4.5A)
NAP  A 512 ( 4.2A)
None
None
 0.78A 1dg5A-3kjrA:
20.4		 1dg5A-3kjrA:
15.40
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.
3kln TRANSCRIPTIONAL
REGULATOR, LUXR
FAMILY

(Vibrio cholerae) 		PF00196
(GerE) 		5 ILE A  87
ALA A 106
ILE A 125
LEU A  26
ILE A  88
 None
 1.17A 1dg5A-3klnA:
undetectable		 1dg5A-3klnA:
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.
3kxq TRIOSEPHOSPHATE
ISOMERASE

(Bartonella
henselae) 		PF00121
(TIM) 		5 ILE A  97
SER A 154
LEU A 155
PRO A 156
ILE A 166
 None
 1.20A 1dg5A-3kxqA:
undetectable		 1dg5A-3kxqA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kzw CYTOSOL
AMINOPEPTIDASE

(Staphylococcus
aureus) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 ILE A  20
PHE A  62
SER A 112
LEU A 109
ILE A  37
 None
 1.05A 1dg5A-3kzwA:
undetectable		 1dg5A-3kzwA:
13.59
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.
3m0g FARNESYL DIPHOSPHATE
SYNTHASE

(Rhodobacter
capsulatus) 		PF00348
(polyprenyl_synt) 		5 ILE A 171
ASP A 217
PHE A 243
LEU A 259
ILE A 172
 None
 1.09A 1dg5A-3m0gA:
undetectable		 1dg5A-3m0gA:
22.64
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.
3mah ASPARTOKINASE

(Porphyromonas
gingivalis) 		PF13840
(ACT_7) 		5 ILE A 361
ALA A 364
ILE A 368
PHE A 331
ILE A 310
 None
 1.12A 1dg5A-3mahA:
undetectable		 1dg5A-3mahA:
21.51
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.
3quv TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Mycobacteroides
abscessus) 		PF01746
(tRNA_m1G_MT) 		5 ALA A 151
SER A  19
LEU A  20
PRO A  21
ILE A   3
 None
 1.13A 1dg5A-3quvA:
undetectable		 1dg5A-3quvA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r38 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE 1

(Listeria
monocytogenes) 		PF00275
(EPSP_synthase) 		5 ILE A 216
ALA A 196
ILE A 192
LEU A 159
PRO A 162
 None
 1.11A 1dg5A-3r38A:
undetectable		 1dg5A-3r38A:
17.98
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.
3r6k VP1 PROTEIN

(Norwalk virus) 		PF08435
(Calici_coat_C) 		5 ILE A 453
PHE A 429
LEU A 229
PRO A 230
ILE A 492
 None
None
None
EDO  A 527 ( 4.8A)
None
 0.99A 1dg5A-3r6kA:
undetectable		 1dg5A-3r6kA:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		9 ALA A  34
ILE A  47
ASP A  54
PHE A  58
SER A  89
LEU A  90
PRO A  91
ILE A 160
TYR A 166
 WRA  A 602 (-3.9A)
WRA  A 602 ( 4.5A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
WRA  A 602 ( 4.2A)
WRA  A 602 (-4.8A)
WRA  A 602 (-4.3A)
WRA  A 602 ( 3.9A)
None
 0.68A 1dg5A-3rg9A:
19.2		 1dg5A-3rg9A:
32.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sg1 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE 1

(Bacillus
anthracis) 		PF00275
(EPSP_synthase) 		5 ILE A 217
ALA A 197
ILE A 193
LEU A 160
PRO A 163
 None
 1.07A 1dg5A-3sg1A:
undetectable		 1dg5A-3sg1A:
17.84
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) 		6 ILE A   6
ALA A   8
ASP A  28
PHE A  32
SER A  50
ILE A  96
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-4.3A)
NDP  A1001 ( 3.0A)
MTX  A2001 ( 4.2A)
 0.47A 1dg5A-3tq9A:
22.9		 1dg5A-3tq9A:
36.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqg 2-METHYLCITRATE
SYNTHASE

(Coxiella
burnetii) 		PF00285
(Citrate_synt) 		5 ILE A 328
ILE A 170
PHE A 156
LEU A 161
ILE A 320
 None
 1.15A 1dg5A-3tqgA:
undetectable		 1dg5A-3tqgA:
17.47
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.
3ttb EIGHT-HEME NITRITE
REDUCTASE

(Thioalkalivibrio
paradoxus) 		PF02335
(Cytochrom_C552) 		5 TRP A 444
ALA A 441
LEU A 356
PRO A 357
ILE A 449
 None
 1.20A 1dg5A-3ttbA:
undetectable		 1dg5A-3ttbA:
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A  14
ASP A  54
PHE A  58
SER A 111
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
1CY  A 609 ( 4.0A)
None
 0.66A 1dg5A-3um6A:
19.5		 1dg5A-3um6A:
15.66
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A  14
PHE A  58
SER A 111
PRO A 113
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
None
1CY  A 609 ( 4.0A)
None
 0.64A 1dg5A-3um6A:
19.5		 1dg5A-3um6A:
15.66
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		7 ALA A   8
ASP A  28
PHE A  32
SER A  56
PRO A  58
ILE A 111
TYR A 117
 None
 0.70A 1dg5A-3vcoA:
17.4		 1dg5A-3vcoA:
28.78
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.
4aby DNA REPAIR PROTEIN
RECN

(Deinococcus
radiodurans) 		PF02463
(SMC_N) 		5 ALA A  65
ILE A  45
PHE A  59
LEU A  37
ILE A  70
 None
 1.19A 1dg5A-4abyA:
undetectable		 1dg5A-4abyA:
18.89
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.
4amt RENIN

(Homo sapiens) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		5 ALA A 266
PHE A 313
SER A 281
LEU A 285
ILE A 275
 None
 1.07A 1dg5A-4amtA:
undetectable		 1dg5A-4amtA:
16.97
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.
4czt CBL-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 23

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		5 ILE A 308
PHE A 309
LEU A 178
PRO A 179
ILE A  80
 None
None
None
SO4  A1317 (-4.7A)
None
 1.08A 1dg5A-4cztA:
undetectable		 1dg5A-4cztA:
15.30
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) 		7 ILE X  10
ALA X  12
PHE X  36
SER X  64
PRO X  66
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 (-4.8A)
TOP  X 301 ( 4.0A)
None
 0.41A 1dg5A-4g8zX:
20.2		 1dg5A-4g8zX:
30.54
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) 		7 ILE A   9
ALA A  11
PHE A  36
SER A  61
PRO A  63
ILE A 112
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
14Q  A 202 (-3.9A)
None
14Q  A 202 ( 4.2A)
None
 0.75A 1dg5A-4h96A:
17.8		 1dg5A-4h96A:
30.05
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		7 ILE A   9
ALA A  11
PHE A  36
SER A  61
PRO A  63
ILE A 121
TYR A 127
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-3.8A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.4A)
14Q  A 302 ( 4.0A)
None
 0.48A 1dg5A-4h98A:
18.5		 1dg5A-4h98A:
27.51
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.
4hds ARSA

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		6 ILE A 188
ALA A 301
PHE A 192
SER A 283
PRO A 281
ILE A 275
 None
 1.47A 1dg5A-4hdsA:
undetectable		 1dg5A-4hdsA:
19.36
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.
4j3b M1 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 ILE A 804
ALA A 806
LEU A 827
PRO A 828
ILE A 856
 None
 1.02A 1dg5A-4j3bA:
undetectable		 1dg5A-4j3bA:
11.50
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.
4kfv GOLGI
REASSEMBLY-STACKING
PROTEIN 1

(Rattus
norvegicus) 		PF04495
(GRASP55_65) 		5 ASP A 147
SER A 188
LEU A 189
PRO A 179
ILE A 193
 None
 1.20A 1dg5A-4kfvA:
undetectable		 1dg5A-4kfvA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lxf TREHALOSE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 ALA A 126
ILE A  86
PHE A 119
PRO A  89
ILE A 232
 None
 1.06A 1dg5A-4lxfA:
undetectable		 1dg5A-4lxfA:
14.52
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) 		11 ILE A   5
TRP A   6
ALA A   7
ILE A  20
ASP A  27
PHE A  31
SER A  49
LEU A  50
PRO A  51
ILE A  94
TYR A 100
 TMQ  A 202 (-4.0A)
None
TMQ  A 202 ( 3.5A)
NDP  A 201 (-4.0A)
TMQ  A 202 ( 2.7A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.6A)
None
TMQ  A 202 (-4.2A)
TMQ  A 202 ( 3.8A)
None
 0.55A 1dg5A-4m2xA:
29.9		 1dg5A-4m2xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		6 TRP A   6
ALA A   7
ASP A  27
LEU A  57
ILE A  94
TYR A 100
 None
TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
None
TMQ  A 202 ( 3.8A)
None
 1.37A 1dg5A-4m2xA:
29.9		 1dg5A-4m2xA:
100.00
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) 		5 ILE A   5
TRP A   6
ALA A   7
ASP A  27
PHE A  31
 RAR  A 200 (-4.0A)
None
RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
 0.55A 1dg5A-4m7vA:
21.9		 1dg5A-4m7vA:
35.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m8j L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Proteus
mirabilis) 		PF02028
(BCCT) 		5 ILE A 459
ALA A 475
ILE A  40
LEU A  33
ILE A 462
 None
 1.20A 1dg5A-4m8jA:
undetectable		 1dg5A-4m8jA:
17.35
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.
4ncj DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE

(Pyrococcus
furiosus) 		PF02463
(SMC_N) 		5 ALA A 135
ILE A 816
PHE A 132
LEU A   3
ILE A 820
 None
 1.18A 1dg5A-4ncjA:
undetectable		 1dg5A-4ncjA:
20.06
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.
4nn3 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Desulfovibrio
salexigens) 		PF03480
(DctP) 		5 ILE A  33
PHE A  64
SER A 250
LEU A 251
PRO A 252
 None
 1.17A 1dg5A-4nn3A:
undetectable		 1dg5A-4nn3A:
19.78
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.
4ofs PROBABLE LIPOAMIDE
ACYLTRANSFERASE

(Thermoplasma
acidophilum) 		PF00198
(2-oxoacid_dh) 		5 ILE A  98
ILE A  66
SER A  69
LEU A  71
ILE A  96
 None
 1.17A 1dg5A-4ofsA:
undetectable		 1dg5A-4ofsA:
20.55
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) 		7 ILE A   5
ALA A   7
ASP A  27
PHE A  31
SER A  49
ILE A  94
TYR A 100
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.7A)
MTX  A 201 ( 4.3A)
None
 0.62A 1dg5A-4p68A:
23.5		 1dg5A-4p68A:
34.52
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.
4pys BETA-N-ACETYLHEXOSAM
INIDASE

(Bacteroides
fragilis) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 ALA A 225
ILE A 222
PHE A 176
LEU A 180
ILE A 161
 None
 1.18A 1dg5A-4pysA:
undetectable		 1dg5A-4pysA:
14.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xct MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9

(Homo sapiens) 		PF00413
(Peptidase_M10) 		5 ILE A 166
ALA A 191
PHE A 228
LEU A 220
ILE A 168
 None
 1.06A 1dg5A-4xctA:
undetectable		 1dg5A-4xctA:
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.
4xzw ENDO-GLUCANASE
CHIMERA C10

(Geobacillus sp.
70PC53;
uncultured
bacterium) 		PF00150
(Cellulase) 		5 ILE A 173
ALA A 157
ILE A 153
SER A 181
ILE A 174
 None
 1.19A 1dg5A-4xzwA:
undetectable		 1dg5A-4xzwA:
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.
5af3 VAPBC49

(Mycobacterium
tuberculosis) 		PF04255
(DUF433) 		5 ALA A 109
ILE A 162
LEU A 175
PRO A 176
ILE A  73
 None
 1.00A 1dg5A-5af3A:
undetectable		 1dg5A-5af3A:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dt5 BETA-GLUCOSIDASE

(Exiguobacterium
antarcticum) 		PF00232
(Glyco_hydro_1) 		5 ILE A 346
ILE A 158
PHE A 289
PRO A 163
ILE A 291
 None
 1.03A 1dg5A-5dt5A:
undetectable		 1dg5A-5dt5A:
14.86
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) 		6 ILE A   5
ALA A   7
PHE A  48
SER A  66
ILE A 111
TYR A 117
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
None
None
 0.54A 1dg5A-5dxvA:
14.2		 1dg5A-5dxvA:
30.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
ILE A  20
PHE A  31
SER A  49
TYR A 102
 5N1  A 202 ( 3.5A)
NAP  A 201 (-4.1A)
5N1  A 202 (-4.1A)
5N1  A 202 (-3.6A)
None
 0.70A 1dg5A-5ecxA:
21.7		 1dg5A-5ecxA:
33.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f4j PROTRUDING DOMAIN OF
GII.17 NOROVIRUS
CAPSID

(Norwalk virus) 		PF08435
(Calici_coat_C) 		5 ILE A 458
PHE A 434
LEU A 229
PRO A 230
ILE A 497
 None
None
None
EDO  A 601 ( 4.8A)
None
 1.00A 1dg5A-5f4jA:
undetectable		 1dg5A-5f4jA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hft GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Klebsiella
pneumoniae) 		PF01019
(G_glu_transpept) 		5 ILE A 136
ALA A 129
SER A 202
LEU A 208
PRO A 207
 None
 1.06A 1dg5A-5hftA:
undetectable		 1dg5A-5hftA:
20.23
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.
5iy5 CYTOCHROME C OXIDASE
SUBUNIT 3

(Bos taurus) 		PF00510
(COX3) 		5 ALA C 200
ILE C 256
PHE C 198
LEU C 124
PRO C 123
 None
None
PEK  C 303 (-3.8A)
None
None
 1.03A 1dg5A-5iy5C:
undetectable		 1dg5A-5iy5C:
22.05
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.
5jwr CIRCADIAN CLOCK
PROTEIN KINASE KAIC

(Thermosynechococcus
elongatus) 		PF06745
(ATPase) 		6 ILE A 244
ILE A 223
PHE A  56
LEU A  37
PRO A  38
ILE A  26
 None
 1.49A 1dg5A-5jwrA:
undetectable		 1dg5A-5jwrA:
23.08
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.
5kdj F5/8 TYPE C DOMAIN
PROTEIN

(Clostridium
perfringens) 		no annotation 5 ILE B 575
ALA B 616
LEU B 566
PRO B 547
ILE B 573
 None
 1.14A 1dg5A-5kdjB:
undetectable		 1dg5A-5kdjB:
11.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kds F5/8 TYPE C DOMAIN
PROTEIN

(Clostridium
perfringens) 		PF13402
(Peptidase_M60) 		5 ILE A 575
ALA A 616
LEU A 566
PRO A 547
ILE A 573
 None
 1.12A 1dg5A-5kdsA:
undetectable		 1dg5A-5kdsA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m3l EXTRACELLULAR
GLOBIN-2

(Lumbricus
terrestris) 		PF00042
(Globin) 		5 ILE B 134
ALA B 132
LEU B  85
PRO B  82
ILE B 137
 None
 1.17A 1dg5A-5m3lB:
undetectable		 1dg5A-5m3lB:
22.60
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.
5or7 CAPSID PROTEIN

(Norwalk virus) 		no annotation 5 ILE A 458
PHE A 432
LEU A 232
PRO A 233
ILE A 497
 None
 1.01A 1dg5A-5or7A:
undetectable		 1dg5A-5or7A:
18.62
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
ASP A  31
PHE A  35
SER A  86
PRO A  88
TYR A 157
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.8A)
73X  A 704 (-4.0A)
None
 0.71A 1dg5A-5t0lA:
20.2		 1dg5A-5t0lA:
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.
5th6 MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9

(Homo sapiens) 		PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		5 ILE A 166
ALA A 191
PHE A 403
LEU A 395
ILE A 168
 None
 1.03A 1dg5A-5th6A:
undetectable		 1dg5A-5th6A:
21.77
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.
5zbi PEPTIDE ASPARAGINYL
LIGASE

(Viola
canadensis) 		no annotation 5 ILE A  53
ILE A 213
PHE A 132
LEU A 189
ILE A 161
 None
 1.12A 1dg5A-5zbiA:
undetectable		 1dg5A-5zbiA:
17.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 11 ILE A   6
TRP A   7
ALA A   8
ILE A  21
ASP A  28
PHE A  32
SER A  50
LEU A  51
PRO A  52
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
None
NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 ( 4.6A)
MMV  A 202 ( 4.2A)
None
 0.64A 1dg5A-6cxmA:
27.0		 1dg5A-6cxmA:
46.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 TRP A   7
ALA A   8
ASP A  28
LEU A  58
ILE A  92
TYR A  98
 None
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 1.27A 1dg5A-6cxmA:
27.0		 1dg5A-6cxmA:
46.79
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.
6ffh METABOTROPIC
GLUTAMATE RECEPTOR
5,ENDOLYSIN

(Escherichia
virus T4;
Homo sapiens) 		no annotation 5 ILE A 636
ALA A 579
ASP A 577
SER A1795
ILE A1799
 OLA  A4004 (-4.6A)
None
None
None
MES  A4005 (-4.1A)
 1.13A 1dg5A-6ffhA:
undetectable		 1dg5A-6ffhA:
21.48