SIMILAR PATTERNS OF AMINO ACIDS FOR 1RX8_A_FOLA161_0

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.
1a6d THERMOSOME (ALPHA
SUBUNIT)

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		5 ILE A  81
ALA A 509
LYS A  32
ILE A 443
ARG A 446
 None
 1.05A 1rx8A-1a6dA:
undetectable		 1rx8A-1a6dA:
14.92
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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		7 ALA A   8
PHE A  31
ILE A  51
ARG A  53
LEU A  55
PRO A  56
THR A 121
 None
 0.50A 1rx8A-1cz3A:
20.2		 1rx8A-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
 0.96A 1rx8A-1ddgA:
undetectable		 1rx8A-1ddgA:
19.73
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) 		7 ILE A   7
ALA A   9
PHE A  34
ILE A  60
LEU A  67
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
HBI  A 198 (-4.1A)
None
None
None
HBI  A 198 ( 4.5A)
 0.62A 1rx8A-1dr6A:
20.9		 1rx8A-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.
1m1c MAJOR COAT PROTEIN

(Saccharomyces
cerevisiae
virus L-A) 		PF09220
(LA-virus_coat) 		5 ILE A  86
ALA A 108
LEU A  93
ARG A 243
LEU A 335
 None
 1.05A 1rx8A-1m1cA:
undetectable		 1rx8A-1m1cA:
13.24
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.
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
 0.98A 1rx8A-1nbwA:
undetectable		 1rx8A-1nbwA:
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.
1o6d HYPOTHETICAL UPF0247
PROTEIN TM0844

(Thermotoga
maritima) 		PF02590
(SPOUT_MTase) 		5 ILE A 144
LEU A  26
PHE A 141
ILE A  95
LEU A   1
 None
 1.01A 1rx8A-1o6dA:
undetectable		 1rx8A-1o6dA:
25.14
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) 		7 ILE A   7
ALA A   9
PHE A  34
ILE A  60
LEU A  67
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
None
MTX  A 187 (-4.4A)
 0.58A 1rx8A-1u70A:
20.1		 1rx8A-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) 		7 ILE A   7
ALA A   9
PHE A  34
ILE A  60
LEU A  67
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
MXA  A 187 ( 4.7A)
None
None
MXA  A 187 (-4.3A)
 0.54A 1rx8A-1u71A:
20.6		 1rx8A-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.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LEU A 415
ILE A 222
LEU A 433
PRO A 434
THR A  65
 None
 1.13A 1rx8A-1v8bA:
undetectable		 1rx8A-1v8bA:
15.24
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
LEU A  28
LYS A  32
ILE A  50
LEU A  54
PRO A  55
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 ( 4.4A)
None
 0.75A 1rx8A-1zdrA:
25.3		 1rx8A-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
LEU A  28
PHE A  31
ILE A  50
LEU A  54
PRO A  55
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 ( 4.4A)
None
 0.55A 1rx8A-1zdrA:
25.3		 1rx8A-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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 ILE A 558
ALA A 432
ILE A 568
LEU A 575
THR A 469
 None
 1.09A 1rx8A-2b3xA:
undetectable		 1rx8A-2b3xA:
11.41
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		8 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
PRO A 129
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
None
CP7  A1240 (-4.1A)
 0.67A 1rx8A-2blbA:
20.4		 1rx8A-2blbA:
25.00
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.
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
 0.99A 1rx8A-2d0oA:
undetectable		 1rx8A-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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
PHE A  52
ILE A  84
LEU A  91
PRO A  92
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
None
None
 0.56A 1rx8A-2h2qA:
19.6		 1rx8A-2h2qA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
LEU A  33
PHE A  36
ILE A  62
LEU A  67
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.1A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
None
MTX  A 605 ( 4.2A)
 0.62A 1rx8A-2oipA:
21.2		 1rx8A-2oipA:
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.
2ptz ENOLASE

(Trypanosoma
brucei) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ALA A 246
ILE A 287
LEU A 222
PRO A 223
THR A 249
 None
 1.06A 1rx8A-2ptzA:
undetectable		 1rx8A-2ptzA:
15.78
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
ILE A  51
ARG A  53
LEU A  55
TYR A 102
THR A 115
 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)
None
MTX  A 200 ( 4.4A)
 1.01A 1rx8A-2qk8A:
25.1		 1rx8A-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
ILE A  51
LEU A  55
PRO A  56
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.8A)
None
MTX  A 200 ( 4.4A)
 0.70A 1rx8A-2qk8A:
25.1		 1rx8A-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
PRO A  56
THR A 115
 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 ( 4.8A)
MTX  A 200 ( 4.4A)
 0.85A 1rx8A-2qk8A:
25.1		 1rx8A-2qk8A:
40.99
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.
2qqp LARGE CAPSID PROTEIN

(Providence
virus) 		PF03566
(Peptidase_A21) 		5 PHE A 335
ILE A 341
LEU A 299
PRO A 300
THR A 307
 None
 0.95A 1rx8A-2qqpA:
undetectable		 1rx8A-2qqpA:
13.52
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.
2r41 UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF06124
(DUF960) 		5 ILE A  87
ALA A  89
ILE A  73
LEU A  75
PRO A  76
 None
 0.84A 1rx8A-2r41A:
undetectable		 1rx8A-2r41A:
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.
2uy3 ENDOCHITINASE

(Saccharomyces
cerevisiae) 		PF00704
(Glyco_hydro_18) 		5 ILE A 273
ALA A 271
LEU A 307
ILE A 260
LEU A 248
 None
 1.00A 1rx8A-2uy3A:
undetectable		 1rx8A-2uy3A:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vt1 SURFACE PRESENTATION
OF ANTIGENS PROTEIN
SPAS
SURFACE PRESENTATION
OF ANTIGENS PROTEIN
SPAS

(Shigella
flexneri;
Shigella
flexneri) 		PF01312
(Bac_export_2)
PF01312
(Bac_export_2) 		5 ILE B 277
LEU B 306
ILE B 332
LEU A 253
THR B 313
 None
 1.00A 1rx8A-2vt1B:
undetectable		 1rx8A-2vt1B:
21.38
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) 		7 ALA A  11
LEU A  32
PHE A  35
LEU A  61
PRO A  62
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-4.7A)
VG9  A1168 (-3.9A)
VG9  A1168 ( 4.4A)
None
None
VG9  A1168 ( 4.7A)
 0.35A 1rx8A-2w3wA:
24.4		 1rx8A-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
LEU A  28
ILE A  50
LEU A  54
PRO A  55
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.44A 1rx8A-2w9sA:
25.4		 1rx8A-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.
2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE

(Escherichia
coli) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ILE A 154
LEU A 160
LYS A 159
ILE A 270
THR A 307
 None
 1.13A 1rx8A-2xf8A:
undetectable		 1rx8A-2xf8A:
20.41
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.
2xhg TYROCIDINE
SYNTHETASE A

(Brevibacillus
brevis) 		PF00668
(Condensation) 		5 ILE A  62
LEU A 161
ILE A 174
LEU A 176
PRO A 177
 None
 1.05A 1rx8A-2xhgA:
undetectable		 1rx8A-2xhgA:
15.67
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.
2ylz PHENYLACETONE
MONOOXYGENASE

(Thermobifida
fusca) 		PF13738
(Pyr_redox_3) 		5 ILE A 363
ALA A 361
PHE A 215
ARG A 188
LEU A 380
 None
 1.10A 1rx8A-2ylzA:
undetectable		 1rx8A-2ylzA:
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.
2z17 PLECKSTRIN HOMOLOGY
SEC7 AND COILED-COIL
DOMAINS-BINDING
PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 LEU A  66
PHE A  31
ILE A  75
LEU A  99
TYR A  85
 None
 1.09A 1rx8A-2z17A:
undetectable		 1rx8A-2z17A:
19.51
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.
3ako VENUS

(Plant
transformation
vector
pSITEII-4C1) 		PF01353
(GFP) 		6 ALA A 110
LEU A  64
ILE A  14
LEU A  42
TYR A  92
THR A 108
 None
CR2  A  66 ( 4.4A)
None
None
None
None
 1.39A 1rx8A-3akoA:
undetectable		 1rx8A-3akoA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 ALA A   6
LEU A  27
PHE A  30
LEU A  54
PRO A  55
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.0A)
MTX  A 164 ( 4.4A)
None
MTX  A 164 ( 4.3A)
 0.80A 1rx8A-3dfrA:
23.9		 1rx8A-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
PHE A  58
ILE A 112
LEU A 119
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-4.3A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.56A 1rx8A-3dg8A:
20.7		 1rx8A-3dg8A:
22.70
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
LEU X  28
LYS X  32
ILE X  50
PRO X  55
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-4.4A)
None
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.97A 1rx8A-3i8aX:
25.4		 1rx8A-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
LYS X  32
ILE X  50
LEU X  54
PRO X  55
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
None
N22  X 219 (-4.6A)
None
None
None
N22  X 219 (-4.4A)
 0.91A 1rx8A-3i8aX:
25.4		 1rx8A-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) 		11 ILE A   6
ALA A   8
MET A  21
LEU A  29
PHE A  32
LYS A  33
ILE A  51
LEU A  55
PRO A  56
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-3.3A)
MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.2A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
None
None
MTX  A 164 (-4.3A)
 0.72A 1rx8A-3ia4A:
27.8		 1rx8A-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) 		10 ILE A   6
ALA A   8
MET A  21
PHE A  32
ILE A  51
ARG A  53
LEU A  55
PRO A  56
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-3.3A)
MTX  A 164 (-4.1A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.8A)
MTX  A 164 ( 4.4A)
None
None
MTX  A 164 (-4.3A)
 0.98A 1rx8A-3ia4A:
27.8		 1rx8A-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) 		7 ILE A   8
ALA A  10
LEU A  31
LYS A  35
LEU A  58
PRO A  59
THR A 119
 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 ( 4.7A)
MTX  A 200 ( 4.5A)
 0.81A 1rx8A-3ix9A:
25.1		 1rx8A-3ix9A:
35.26
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) 		7 ILE A   8
ALA A  10
LEU A  31
PHE A  34
LEU A  58
PRO A  59
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.7A)
MTX  A 200 ( 4.5A)
 0.72A 1rx8A-3ix9A:
25.1		 1rx8A-3ix9A:
35.26
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.
3k5p D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Brucella
abortus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ALA A 234
LEU A 227
ILE A 264
LEU A 282
PRO A 281
 EDO  A 413 ( 4.3A)
None
None
None
None
 0.87A 1rx8A-3k5pA:
undetectable		 1rx8A-3k5pA:
19.66
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.
3kao TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE

(Staphylococcus
aureus) 		PF01791
(DeoC) 		5 ALA A  57
PHE A  26
ILE A  49
LEU A  32
THR A  61
 None
 1.03A 1rx8A-3kaoA:
undetectable		 1rx8A-3kaoA:
19.27
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
ILE A  73
LEU A  80
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
None
None
None
 0.56A 1rx8A-3kjrA:
20.9		 1rx8A-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.
3oss TYPE 2 SECRETION
SYSTEM, SECRETIN
GSPD

(Escherichia
coli) 		PF03958
(Secretin_N) 		5 ILE D  41
ALA D   7
ILE D  18
LEU D  60
THR D  43
 None
 1.08A 1rx8A-3ossD:
undetectable		 1rx8A-3ossD:
21.54
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.
3p0u NUCLEAR RECEPTOR
SUBFAMILY 2 GROUP C
MEMBER 2

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ILE A 506
LEU A 559
ILE A 517
LEU A 566
PRO A 567
 None
 1.04A 1rx8A-3p0uA:
undetectable		 1rx8A-3p0uA:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pqv RCL1 PROTEIN

(Kluyveromyces
lactis) 		PF01137
(RTC)
PF05189
(RTC_insert) 		5 ALA A  23
ILE A  35
ARG A  36
LEU A  44
THR A  24
 None
 1.13A 1rx8A-3pqvA:
undetectable		 1rx8A-3pqvA:
18.80
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.
3q3h HMW1C-LIKE
GLYCOSYLTRANSFERASE

(Actinobacillus
pleuropneumoniae) 		no annotation 5 ALA A 211
MET A 351
PHE A 171
LEU A 199
PRO A 196
 None
 1.02A 1rx8A-3q3hA:
undetectable		 1rx8A-3q3hA:
14.64
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 ALA A  34
PHE A  58
LEU A  97
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
None
None
WRA  A 602 (-4.2A)
 0.38A 1rx8A-3rg9A:
19.5		 1rx8A-3rg9A:
27.92
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.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		5 ILE A 684
ALA A 674
LEU A 689
ILE A 624
LEU A 634
 None
 1.11A 1rx8A-3s1sA:
undetectable		 1rx8A-3s1sA:
11.26
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.
3s5u PUTATIVE
UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF09711
(Cas_Csn2) 		5 ILE A 135
ALA A 132
PHE A 130
ILE A  97
LEU A  87
 None
 0.97A 1rx8A-3s5uA:
undetectable		 1rx8A-3s5uA:
22.27
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) 		7 ILE A   6
ALA A   8
LEU A  29
LYS A  33
ILE A  51
PRO A  56
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-3.9A)
None
MTX  A2001 (-4.3A)
None
MTX  A2001 (-4.3A)
 0.70A 1rx8A-3tq9A:
25.3		 1rx8A-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) 		8 ILE A   6
ALA A   8
LEU A  29
PHE A  32
ILE A  51
LEU A  55
PRO A  56
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
None
MTX  A2001 (-4.3A)
 0.41A 1rx8A-3tq9A:
25.3		 1rx8A-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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A  14
PHE A  58
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
None
None
1CY  A 609 (-4.3A)
 0.49A 1rx8A-3um6A:
20.5		 1rx8A-3um6A:
13.05
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.
3up4 OTEMO

(Pseudomonas
putida) 		PF00743
(FMO-like) 		5 ILE A 363
ALA A 361
PHE A 214
ARG A 187
LEU A 380
 None
 1.04A 1rx8A-3up4A:
undetectable		 1rx8A-3up4A:
14.10
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		6 ALA A   8
PHE A  32
ILE A  57
LEU A  64
TYR A 117
THR A 133
 None
 0.74A 1rx8A-3vcoA:
18.3		 1rx8A-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 PHE A  32
LYS A  33
ILE A  57
LEU A  64
TYR A 117
THR A 133
 None
 0.75A 1rx8A-3vcoA:
18.3		 1rx8A-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.
4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE

(Bacillus
megaterium) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		5 ILE A 958
ALA A 931
MET A 901
LEU A 891
PRO A 836
 None
 1.05A 1rx8A-4dqkA:
undetectable		 1rx8A-4dqkA:
19.01
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.
4epp POLY(ADP-RIBOSE)
GLYCOHYDROLASE

(Tetrahymena
thermophila) 		PF05028
(PARG_cat) 		5 ILE A  91
LEU A  78
PHE A  86
ILE A 169
LEU A  71
 None
 1.13A 1rx8A-4eppA:
undetectable		 1rx8A-4eppA:
15.17
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
ILE X  65
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.56A 1rx8A-4g8zX:
20.4		 1rx8A-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
MET A  25
LYS A  37
ILE A  62
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
NDP  A 201 (-3.9A)
None
14Q  A 202 ( 4.8A)
None
14Q  A 202 ( 4.6A)
 1.13A 1rx8A-4h96A:
17.9		 1rx8A-4h96A:
32.31
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
PHE A  36
ILE A  62
LEU A  69
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
NDP  A 201 (-3.9A)
14Q  A 202 (-4.0A)
14Q  A 202 ( 4.8A)
None
None
14Q  A 202 ( 4.6A)
 0.79A 1rx8A-4h96A:
17.9		 1rx8A-4h96A:
32.31
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
PHE A  36
ILE A  62
LEU A  69
PRO A  70
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
14Q  A 202 ( 4.8A)
None
None
None
14Q  A 202 ( 4.6A)
 0.69A 1rx8A-4h96A:
17.9		 1rx8A-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) 		8 ILE A   9
ALA A  11
PHE A  36
ILE A  62
LEU A  69
PRO A  70
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-3.8A)
14Q  A 302 (-4.2A)
None
None
None
14Q  A 302 (-4.2A)
 0.45A 1rx8A-4h98A:
19.0		 1rx8A-4h98A:
27.23
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.
4j16 NAD/NADP
TRANSHYDROGENASE
ALPHA SUBUNIT 1

(Thermus
thermophilus) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 ALA A  18
PHE A  72
ILE A 115
LEU A 337
PRO A 345
 None
 1.09A 1rx8A-4j16A:
undetectable		 1rx8A-4j16A:
16.80
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
PHE A  31
LEU A  57
PRO A  58
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.0A)
None
None
None
TMQ  A 202 (-4.2A)
 0.38A 1rx8A-4m2xA:
22.8		 1rx8A-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) 		7 ILE A   5
ALA A   7
LEU A  28
PHE A  31
LEU A  55
PRO A  56
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 4.6A)
RAR  A 200 (-4.4A)
 0.68A 1rx8A-4m7vA:
24.7		 1rx8A-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.
4mlc EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Desulfitobacterium
hafniense) 		PF13458
(Peripla_BP_6) 		5 ILE A 200
ALA A 204
ILE A 126
LEU A 130
THR A 209
 None
 1.09A 1rx8A-4mlcA:
undetectable		 1rx8A-4mlcA:
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.
4n9x PUTATIVE
MONOOXYGENASE

(Pectobacterium
atrosepticum) 		PF01494
(FAD_binding_3) 		5 ILE A   8
ALA A  30
ILE A 326
ARG A 318
LEU A 316
 None
 1.04A 1rx8A-4n9xA:
undetectable		 1rx8A-4n9xA:
17.40
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.
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
 1.10A 1rx8A-4na3A:
undetectable		 1rx8A-4na3A:
13.52
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.
4ndk E23P-YFP, GFP-LIKE
FLUORESCENT
CHROMOPROTEIN FP506,
RELATED, CHIMERIC
CONSTRUCT,

(Eimeria
acervulina;
Aequorea
victoria) 		PF00046
(Homeobox)
PF01353
(GFP) 		6 ALA A 163
LEU A 117
ILE A  67
LEU A  95
TYR A 145
THR A 161
 None
CR2  A 118 ( 4.1A)
None
None
None
None
 1.36A 1rx8A-4ndkA:
undetectable		 1rx8A-4ndkA:
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.
4nek ENOYL-COA
HYDRATASE/CARNITHINE
RACEMASE

(Magnetospirillum
magneticum) 		PF00378
(ECH_1) 		5 ALA A  34
LEU A  27
PHE A  83
ILE A  53
LEU A 109
 None
 1.12A 1rx8A-4nekA:
undetectable		 1rx8A-4nekA:
20.97
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.
4oc9 PUTATIVE
O-ACETYLHOMOSERINE
(THIOL)-LYASE

(Campylobacter
jejuni) 		PF01053
(Cys_Met_Meta_PP) 		5 ILE A 312
LEU A 342
PHE A 344
ILE A 375
PRO A 378
 None
 0.97A 1rx8A-4oc9A:
undetectable		 1rx8A-4oc9A:
16.08
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
PHE A  31
LYS A  32
ILE A  50
PRO A  55
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.6A)
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.9A)
MTX  A 201 (-4.7A)
XCN  A  54 ( 2.6A)
None
MTX  A 201 ( 4.5A)
 0.69A 1rx8A-4p68A:
30.0		 1rx8A-4p68A:
97.48
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.
4ql6 CARBOXY-TERMINAL
PROCESSING PROTEASE

(Chlamydia
trachomatis) 		PF00595
(PDZ)
PF03572
(Peptidase_S41) 		5 ILE A 220
LEU A 103
PHE A 100
LEU A  88
PRO A  87
 None
 0.89A 1rx8A-4ql6A:
undetectable		 1rx8A-4ql6A:
12.93
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.
4ru0 PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC
BRANCHED-CHAIN AMINO
ACID-BINDING PROTEIN

(Pseudomonas
protegens) 		PF13458
(Peripla_BP_6) 		5 ILE A 338
ALA A 341
ILE A 126
PRO A 108
THR A 340
 None
 1.13A 1rx8A-4ru0A:
undetectable		 1rx8A-4ru0A:
17.28
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.
4v39 SIALYLTRANSFERASE

(Pasteurella
dagmatis) 		PF11477
(PM0188) 		5 ALA A  29
LEU A  77
ILE A  64
LEU A   5
THR A  28
 None
 1.11A 1rx8A-4v39A:
undetectable		 1rx8A-4v39A:
16.71
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.
4z37 PUTATIVE MIXED
POLYKETIDE
SYNTHASE/NON-RIBOSOM
AL PEPTIDE
SYNTHETASE

(Brevibacillus
brevis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ALA A2777
ILE A2916
LEU A2918
PRO A2919
TYR A2908
 None
 1.02A 1rx8A-4z37A:
undetectable		 1rx8A-4z37A:
13.13
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.06A 1rx8A-4z37A:
undetectable		 1rx8A-4z37A:
13.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5al7 SPINDLE ASSEMBLY
ABNORMAL PROTEIN 6
HOMOLOG

(Drosophila
melanogaster) 		PF16531
(SAS-6_N) 		5 ILE A  98
LEU A  90
PHE A  97
LEU A 151
PRO A 152
 None
 0.99A 1rx8A-5al7A:
undetectable		 1rx8A-5al7A:
21.27
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.
5b7d LYSR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Vibrio
vulnificus) 		PF03466
(LysR_substrate) 		5 ALA A 211
ILE A 188
LEU A 193
PRO A 194
THR A 208
 None
 1.09A 1rx8A-5b7dA:
undetectable		 1rx8A-5b7dA:
21.82
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) 		8 ILE A   5
ALA A   7
PHE A  48
ILE A  67
LEU A  71
PRO A  72
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.44A 1rx8A-5dxvA:
17.1		 1rx8A-5dxvA:
69.66
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) 		8 ILE A   5
LEU A  45
PHE A  48
ILE A  67
LEU A  71
PRO A  72
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.59A 1rx8A-5dxvA:
17.1		 1rx8A-5dxvA:
69.66
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.
5e6k POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ALA A 440
ILE A 576
LEU A 578
PRO A 579
TYR A 568
 None
 1.09A 1rx8A-5e6kA:
undetectable		 1rx8A-5e6kA:
15.41
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.
5e6k POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ALA A 440
LEU A 499
LEU A 578
PRO A 579
TYR A 568
 None
 1.06A 1rx8A-5e6kA:
undetectable		 1rx8A-5e6kA:
15.41
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
PHE A  31
LEU A  53
PRO A  54
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-4.1A)
5N1  A 202 ( 4.7A)
None
None
 1.03A 1rx8A-5ecxA:
24.0		 1rx8A-5ecxA:
30.06
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.
5ehf LACCASE

(Antrodiella
faginea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 MET A 386
PHE A 439
ILE A 374
LEU A 376
PRO A 377
 None
 0.86A 1rx8A-5ehfA:
undetectable		 1rx8A-5ehfA:
12.83
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.
5eny POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ALA A 440
ILE A 576
LEU A 578
PRO A 579
TYR A 568
 None
 1.13A 1rx8A-5enyA:
undetectable		 1rx8A-5enyA:
12.83
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.
5eny POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ALA A 440
LEU A 499
LEU A 578
PRO A 579
TYR A 568
 None
 1.13A 1rx8A-5enyA:
undetectable		 1rx8A-5enyA:
12.83
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.
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
 1.12A 1rx8A-5erbA:
undetectable		 1rx8A-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) 		7 ILE A   6
ALA A   8
ILE A  51
LEU A  55
PRO A  56
TYR A 101
THR A 114
 None
 0.59A 1rx8A-5fdaA:
20.1		 1rx8A-5fdaA:
80.00
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.
5hdh TOLL-LIKE RECEPTOR 8

(Homo sapiens) 		PF13855
(LRR_8) 		5 ILE A 359
LEU A 413
PHE A 387
ILE A 406
LEU A 401
 None
 0.98A 1rx8A-5hdhA:
undetectable		 1rx8A-5hdhA:
11.07
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.
5mjr PROTEIN THF1

(Thermosynechococcus
elongatus) 		PF11264
(ThylakoidFormat) 		5 ALA A 162
LEU A 139
ILE A 109
LEU A 122
PRO A 121
 None
 1.02A 1rx8A-5mjrA:
undetectable		 1rx8A-5mjrA:
20.70
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.
5oas MALATE SYNTHASE G

(Pseudomonas
aeruginosa) 		no annotation 5 ILE A 393
MET A 296
ILE A 374
LEU A 420
PRO A 421
 None
None
EDO  A 812 ( 4.2A)
EDO  A 807 (-4.9A)
None
 0.95A 1rx8A-5oasA:
undetectable		 1rx8A-5oasA:
12.57
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.
5ohs -

(-) 		no annotation 5 ALA A 106
PHE A 190
ILE A 198
PRO A 130
TYR A 176
 None
 1.10A 1rx8A-5ohsA:
undetectable		 1rx8A-5ohsA:
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  10
PHE A  35
LEU A  94
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-3.2A)
None
None
73X  A 704 (-4.2A)
 0.35A 1rx8A-5t0lA:
21.1		 1rx8A-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.
5yq5 OSTEOMODULIN

(Homo sapiens) 		no annotation 5 ILE A 174
LEU A 191
ILE A 207
LEU A 203
PRO A 228
 None
 1.07A 1rx8A-5yq5A:
undetectable		 1rx8A-5yq5A:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 8 ILE A   6
ALA A   8
PHE A  32
LYS A  33
LEU A  58
PRO A  59
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.6A)
None
MMV  A 202 (-4.4A)
 0.76A 1rx8A-6cxmA:
21.5		 1rx8A-6cxmA:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ILE A   6
LEU A  29
PHE A  32
LEU A  58
PRO A  59
THR A 111
 MMV  A 202 (-4.0A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.6A)
MMV  A 202 (-4.4A)
 0.82A 1rx8A-6cxmA:
21.5		 1rx8A-6cxmA:
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 6 ALA A   7
LEU A  28
ILE A  50
LEU A  54
PRO A  55
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.57A 1rx8A-6e4eA:
25.3		 1rx8A-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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 5 ILE A 279
ALA A 282
LEU A 305
PHE A 308
LYS A 309
 None
 0.98A 1rx8A-6fhwA:
undetectable		 1rx8A-6fhwA:
undetectable